# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/e5c3a89c-84aa-41b5-b7c4-ba7ad48b07c2/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 Na2Al2Sb3 / P2_1/c (14) / materials id 30039](https://mdr.nims.go.jp/datasets/cab1aff7-2df5-4439-8e99-50f15f062bb2) ## 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: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 14.201541170000000, 0.000000000000000, 0.005330150000000 ] # a - [ 0.000000000000000, 7.102968790000000, 0.000000000000000 ] # b - [ -0.065402690000000, 0.000000000000000, 15.292170270000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.439658240000000, 0.060480000000000, 0.898511460000000 ] mass: 22.989769 - symbol: Na # 2 coordinates: [ 0.439658240000000, 0.439520000000000, 0.398511460000000 ] mass: 22.989769 - symbol: Na # 3 coordinates: [ 0.560341760000000, 0.939520000000000, 0.101488540000000 ] mass: 22.989769 - symbol: Na # 4 coordinates: [ 0.560341760000000, 0.560480000000000, 0.601488540000000 ] mass: 22.989769 - symbol: Na # 5 coordinates: [ 0.923150800000000, 0.039670950000000, 0.614735030000000 ] mass: 22.989769 - symbol: Na # 6 coordinates: [ 0.076849200000000, 0.539670950000000, 0.885264970000000 ] mass: 22.989769 - symbol: Na # 7 coordinates: [ 0.076849200000000, 0.960329050000000, 0.385264970000000 ] mass: 22.989769 - symbol: Na # 8 coordinates: [ 0.923150800000000, 0.460329050000000, 0.114735030000000 ] mass: 22.989769 - symbol: Na # 9 coordinates: [ 0.650148600000000, 0.060597420000000, 0.523398650000000 ] mass: 22.989769 - symbol: Na # 10 coordinates: [ 0.349851400000000, 0.560597420000000, 0.976601350000000 ] mass: 22.989769 - symbol: Na # 11 coordinates: [ 0.349851400000000, 0.939402580000000, 0.476601350000000 ] mass: 22.989769 - symbol: Na # 12 coordinates: [ 0.650148600000000, 0.439402580000000, 0.023398650000000 ] mass: 22.989769 - symbol: Na # 13 coordinates: [ 0.135522290000000, 0.462338780000000, 0.487110170000000 ] mass: 22.989769 - symbol: Na # 14 coordinates: [ 0.864477710000000, 0.962338780000000, 0.012889830000000 ] mass: 22.989769 - symbol: Na # 15 coordinates: [ 0.864477710000000, 0.537661220000000, 0.512889830000000 ] mass: 22.989769 - symbol: Na # 16 coordinates: [ 0.135522290000000, 0.037661220000000, 0.987110170000000 ] mass: 22.989769 - symbol: Al # 17 coordinates: [ 0.686856070000000, 0.713249950000000, 0.842117710000000 ] mass: 26.981539 - symbol: Al # 18 coordinates: [ 0.406874340000000, 0.768805880000000, 0.238805010000000 ] mass: 26.981539 - symbol: Al # 19 coordinates: [ 0.406874340000000, 0.731194120000000, 0.738805010000000 ] mass: 26.981539 - symbol: Al # 20 coordinates: [ 0.593125660000000, 0.231194120000000, 0.761194990000000 ] mass: 26.981539 - symbol: Al # 21 coordinates: [ 0.813433620000000, 0.260560810000000, 0.334066380000000 ] mass: 26.981539 - symbol: Al # 22 coordinates: [ 0.186566380000000, 0.760560810000000, 0.165933620000000 ] mass: 26.981539 - symbol: Al # 23 coordinates: [ 0.186566380000000, 0.739439190000000, 0.665933620000000 ] mass: 26.981539 - symbol: Al # 24 coordinates: [ 0.813433620000000, 0.239439190000000, 0.834066380000000 ] mass: 26.981539 - symbol: Al # 25 coordinates: [ 0.095904400000000, 0.284710590000000, 0.227400450000000 ] mass: 26.981539 - symbol: Al # 26 coordinates: [ 0.904095600000000, 0.784710590000000, 0.272599550000000 ] mass: 26.981539 - symbol: Al # 27 coordinates: [ 0.904095600000000, 0.715289410000000, 0.772599550000000 ] mass: 26.981539 - symbol: Al # 28 coordinates: [ 0.095904400000000, 0.215289410000000, 0.727400450000000 ] mass: 26.981539 - symbol: Al # 29 coordinates: [ 0.313143930000000, 0.213249950000000, 0.657882290000000 ] mass: 26.981539 - symbol: Al # 30 coordinates: [ 0.686856070000000, 0.786750050000000, 0.342117710000000 ] mass: 26.981539 - symbol: Al # 31 coordinates: [ 0.313143930000000, 0.286750050000000, 0.157882290000000 ] mass: 26.981539 - symbol: Al # 32 coordinates: [ 0.593125660000000, 0.268805880000000, 0.261194990000000 ] mass: 26.981539 - symbol: Sb # 33 coordinates: [ 0.842730210000000, 0.556906880000000, 0.922662460000000 ] mass: 121.760000 - symbol: Sb # 34 coordinates: [ 0.024893830000000, 0.538740090000000, 0.665812110000000 ] mass: 121.760000 - symbol: Sb # 35 coordinates: [ 0.024893830000000, 0.961259910000000, 0.165812110000000 ] mass: 121.760000 - symbol: Sb # 36 coordinates: [ 0.975106170000000, 0.461259910000000, 0.334187890000000 ] mass: 121.760000 - symbol: Sb # 37 coordinates: [ 0.975106170000000, 0.038740090000000, 0.834187890000000 ] mass: 121.760000 - symbol: Sb # 38 coordinates: [ 0.157269790000000, 0.056906880000000, 0.577337540000000 ] mass: 121.760000 - symbol: Sb # 39 coordinates: [ 0.157269790000000, 0.443093120000000, 0.077337540000000 ] mass: 121.760000 - symbol: Sb # 40 coordinates: [ 0.842730210000000, 0.943093120000000, 0.422662460000000 ] mass: 121.760000 - symbol: Sb # 41 coordinates: [ 0.662336070000000, 0.057972900000000, 0.906767190000000 ] mass: 121.760000 - symbol: Sb # 42 coordinates: [ 0.337663930000000, 0.557972900000000, 0.593232810000000 ] mass: 121.760000 - symbol: Sb # 43 coordinates: [ 0.337663930000000, 0.942027100000000, 0.093232810000000 ] mass: 121.760000 - symbol: Sb # 44 coordinates: [ 0.662336070000000, 0.442027100000000, 0.406767190000000 ] mass: 121.760000 - symbol: Sb # 45 coordinates: [ 0.752046940000000, 0.169565460000000, 0.170917970000000 ] mass: 121.760000 - symbol: Sb # 46 coordinates: [ 0.247953060000000, 0.669565460000000, 0.329082030000000 ] mass: 121.760000 - symbol: Sb # 47 coordinates: [ 0.247953060000000, 0.830434540000000, 0.829082030000000 ] mass: 121.760000 - symbol: Sb # 48 coordinates: [ 0.752046940000000, 0.330434540000000, 0.670917970000000 ] mass: 121.760000 - symbol: Sb # 49 coordinates: [ 0.520214530000000, 0.527656750000000, 0.845513430000000 ] mass: 121.760000 - symbol: Sb # 50 coordinates: [ 0.479785470000000, 0.027656750000000, 0.654486570000000 ] mass: 121.760000 - symbol: Sb # 51 coordinates: [ 0.479785470000000, 0.472343250000000, 0.154486570000000 ] mass: 121.760000 - symbol: Sb # 52 coordinates: [ 0.520214530000000, 0.972343250000000, 0.345513430000000 ] mass: 121.760000 - symbol: Sb # 53 coordinates: [ 0.744953200000000, 0.759327830000000, 0.176303800000000 ] mass: 121.760000 - symbol: Sb # 54 coordinates: [ 0.255046800000000, 0.259327830000000, 0.323696200000000 ] mass: 121.760000 - symbol: Sb # 55 coordinates: [ 0.255046800000000, 0.240672170000000, 0.823696200000000 ] mass: 121.760000 - symbol: Sb # 56 coordinates: [ 0.744953200000000, 0.740672170000000, 0.676303800000000 ] mass: 121.760000 reciprocal_lattice: # without 2pi - [ 0.070414779834618, 0.000000000000000, 0.000301155162127 ] # a* - [ 0.000000000000000, 0.140786202159281, 0.000000000000000 ] # b* - [ -0.000024543366449, 0.000000000000000, 0.065392836800908 ] # c*unit_cell: lattice: - [ 14.201541170000000, 0.000000000000000, 0.005330150000000 ] # a - [ 0.000000000000000, 7.102968790000000, 0.000000000000000 ] # b - [ -0.065402690000000, 0.000000000000000, 15.292170270000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.439658240000000, 0.060480000000000, 0.898511460000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.439658240000000, 0.439520000000000, 0.398511460000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 3 coordinates: [ 0.560341760000000, 0.939520000000000, 0.101488540000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 4 coordinates: [ 0.560341760000000, 0.560480000000000, 0.601488540000000 ] mass: 22.989769 reduced_to: 4 - symbol: Na # 5 coordinates: [ 0.923150800000000, 0.039670950000000, 0.614735030000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 6 coordinates: [ 0.076849200000000, 0.539670950000000, 0.885264970000000 ] mass: 22.989769 reduced_to: 6 - symbol: Na # 7 coordinates: [ 0.076849200000000, 0.960329050000000, 0.385264970000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 8 coordinates: [ 0.923150800000000, 0.460329050000000, 0.114735030000000 ] mass: 22.989769 reduced_to: 8 - symbol: Na # 9 coordinates: [ 0.650148600000000, 0.060597420000000, 0.523398650000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 10 coordinates: [ 0.349851400000000, 0.560597420000000, 0.976601350000000 ] mass: 22.989769 reduced_to: 10 - symbol: Na # 11 coordinates: [ 0.349851400000000, 0.939402580000000, 0.476601350000000 ] mass: 22.989769 reduced_to: 11 - symbol: Na # 12 coordinates: [ 0.650148600000000, 0.439402580000000, 0.023398650000000 ] mass: 22.989769 reduced_to: 12 - symbol: Na # 13 coordinates: [ 0.135522290000000, 0.462338780000000, 0.487110170000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 14 coordinates: [ 0.864477710000000, 0.962338780000000, 0.012889830000000 ] mass: 22.989769 reduced_to: 14 - symbol: Na # 15 coordinates: [ 0.864477710000000, 0.537661220000000, 0.512889830000000 ] mass: 22.989769 reduced_to: 15 - symbol: Na # 16 coordinates: [ 0.135522290000000, 0.037661220000000, 0.987110170000000 ] mass: 22.989769 reduced_to: 16 - symbol: Al # 17 coordinates: [ 0.686856070000000, 0.713249950000000, 0.842117710000000 ] mass: 26.981539 reduced_to: 17 - symbol: Al # 18 coordinates: [ 0.406874340000000, 0.768805880000000, 0.238805010000000 ] mass: 26.981539 reduced_to: 18 - symbol: Al # 19 coordinates: [ 0.406874340000000, 0.731194120000000, 0.738805010000000 ] mass: 26.981539 reduced_to: 19 - symbol: Al # 20 coordinates: [ 0.593125660000000, 0.231194120000000, 0.761194990000000 ] mass: 26.981539 reduced_to: 20 - symbol: Al # 21 coordinates: [ 0.813433620000000, 0.260560810000000, 0.334066380000000 ] mass: 26.981539 reduced_to: 21 - symbol: Al # 22 coordinates: [ 0.186566380000000, 0.760560810000000, 0.165933620000000 ] mass: 26.981539 reduced_to: 22 - symbol: Al # 23 coordinates: [ 0.186566380000000, 0.739439190000000, 0.665933620000000 ] mass: 26.981539 reduced_to: 23 - symbol: Al # 24 coordinates: [ 0.813433620000000, 0.239439190000000, 0.834066380000000 ] mass: 26.981539 reduced_to: 24 - symbol: Al # 25 coordinates: [ 0.095904400000000, 0.284710590000000, 0.227400450000000 ] mass: 26.981539 reduced_to: 25 - symbol: Al # 26 coordinates: [ 0.904095600000000, 0.784710590000000, 0.272599550000000 ] mass: 26.981539 reduced_to: 26 - symbol: Al # 27 coordinates: [ 0.904095600000000, 0.715289410000000, 0.772599550000000 ] mass: 26.981539 reduced_to: 27 - symbol: Al # 28 coordinates: [ 0.095904400000000, 0.215289410000000, 0.727400450000000 ] mass: 26.981539 reduced_to: 28 - symbol: Al # 29 coordinates: [ 0.313143930000000, 0.213249950000000, 0.657882290000000 ] mass: 26.981539 reduced_to: 29 - symbol: Al # 30 coordinates: [ 0.686856070000000, 0.786750050000000, 0.342117710000000 ] mass: 26.981539 reduced_to: 30 - symbol: Al # 31 coordinates: [ 0.313143930000000, 0.286750050000000, 0.157882290000000 ] mass: 26.981539 reduced_to: 31 - symbol: Al # 32 coordinates: [ 0.593125660000000, 0.268805880000000, 0.261194990000000 ] mass: 26.981539 reduced_to: 32 - symbol: Sb # 33 coordinates: [ 0.842730210000000, 0.556906880000000, 0.922662460000000 ] mass: 121.760000 reduced_to: 33 - symbol: Sb # 34 coordinates: [ 0.024893830000000, 0.538740090000000, 0.665812110000000 ] mass: 121.760000 reduced_to: 34 - symbol: Sb # 35 coordinates: [ 0.024893830000000, 0.961259910000000, 0.165812110000000 ] mass: 121.760000 reduced_to: 35 - symbol: Sb # 36 coordinates: [ 0.975106170000000, 0.461259910000000, 0.334187890000000 ] mass: 121.760000 reduced_to: 36 - symbol: Sb # 37 coordinates: [ 0.975106170000000, 0.038740090000000, 0.834187890000000 ] mass: 121.760000 reduced_to: 37 - symbol: Sb # 38 coordinates: [ 0.157269790000000, 0.056906880000000, 0.577337540000000 ] mass: 121.760000 reduced_to: 38 - symbol: Sb # 39 coordinates: [ 0.157269790000000, 0.443093120000000, 0.077337540000000 ] mass: 121.760000 reduced_to: 39 - symbol: Sb # 40 coordinates: [ 0.842730210000000, 0.943093120000000, 0.422662460000000 ] mass: 121.760000 reduced_to: 40 - symbol: Sb # 41 coordinates: [ 0.662336070000000, 0.057972900000000, 0.906767190000000 ] mass: 121.760000 reduced_to: 41 - symbol: Sb # 42 coordinates: [ 0.337663930000000, 0.557972900000000, 0.593232810000000 ] mass: 121.760000 reduced_to: 42 - symbol: Sb # 43 coordinates: [ 0.337663930000000, 0.942027100000000, 0.093232810000000 ] mass: 121.760000 reduced_to: 43 - symbol: Sb # 44 coordinates: [ 0.662336070000000, 0.442027100000000, 0.406767190000000 ] mass: 121.760000 reduced_to: 44 - symbol: Sb # 45 coordinates: [ 0.752046940000000, 0.169565460000000, 0.170917970000000 ] mass: 121.760000 reduced_to: 45 - symbol: Sb # 46 coordinates: [ 0.247953060000000, 0.669565460000000, 0.329082030000000 ] mass: 121.760000 reduced_to: 46 - symbol: Sb # 47 coordinates: [ 0.247953060000000, 0.830434540000000, 0.829082030000000 ] mass: 121.760000 reduced_to: 47 - symbol: Sb # 48 coordinates: [ 0.752046940000000, 0.330434540000000, 0.670917970000000 ] mass: 121.760000 reduced_to: 48 - symbol: Sb # 49 coordinates: [ 0.520214530000000, 0.527656750000000, 0.845513430000000 ] mass: 121.760000 reduced_to: 49 - symbol: Sb # 50 coordinates: [ 0.479785470000000, 0.027656750000000, 0.654486570000000 ] mass: 121.760000 reduced_to: 50 - symbol: Sb # 51 coordinates: [ 0.479785470000000, 0.472343250000000, 0.154486570000000 ] mass: 121.760000 reduced_to: 51 - symbol: Sb # 52 coordinates: [ 0.520214530000000, 0.972343250000000, 0.345513430000000 ] mass: 121.760000 reduced_to: 52 - symbol: Sb # 53 coordinates: [ 0.744953200000000, 0.759327830000000, 0.176303800000000 ] mass: 121.760000 reduced_to: 53 - symbol: Sb # 54 coordinates: [ 0.255046800000000, 0.259327830000000, 0.323696200000000 ] mass: 121.760000 reduced_to: 54 - symbol: Sb # 55 coordinates: [ 0.255046800000000, 0.240672170000000, 0.823696200000000 ] mass: 121.760000 reduced_to: 55 - symbol: Sb # 56 coordinates: [ 0.744953200000000, 0.740672170000000, 0.676303800000000 ] mass: 121.760000 reduced_to: 56supercell: lattice: - [ 14.201541170000000, 0.000000000000000, 0.005330150000000 ] # a - [ 0.000000000000000, 14.205937580000001, 0.000000000000000 ] # b - [ -0.065402690000000, 0.000000000000000, 15.292170270000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.439658240000000, 0.030240000000000, 0.898511460000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.439658240000000, 0.530240000000000, 0.898511460000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 3 coordinates: [ 0.439658240000000, 0.219760000000000, 0.398511460000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 4 coordinates: [ 0.439658240000000, 0.719760000000000, 0.398511460000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 5 coordinates: [ 0.560341760000000, 0.469760000000000, 0.101488540000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 6 coordinates: [ 0.560341760000000, 0.969760000000000, 0.101488540000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 7 coordinates: [ 0.560341760000000, 0.280240000000000, 0.601488540000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 8 coordinates: [ 0.560341760000000, 0.780240000000000, 0.601488540000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 9 coordinates: [ 0.923150800000000, 0.019835475000000, 0.614735030000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 10 coordinates: [ 0.923150800000000, 0.519835475000000, 0.614735030000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 11 coordinates: [ 0.076849200000000, 0.269835475000000, 0.885264970000000 ] mass: 22.989769 reduced_to: 11 - symbol: Na # 12 coordinates: [ 0.076849200000000, 0.769835475000000, 0.885264970000000 ] mass: 22.989769 reduced_to: 11 - symbol: Na # 13 coordinates: [ 0.076849200000000, 0.480164525000000, 0.385264970000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 14 coordinates: [ 0.076849200000000, 0.980164525000000, 0.385264970000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 15 coordinates: [ 0.923150800000000, 0.230164525000000, 0.114735030000000 ] mass: 22.989769 reduced_to: 15 - symbol: Na # 16 coordinates: [ 0.923150800000000, 0.730164525000000, 0.114735030000000 ] mass: 22.989769 reduced_to: 15 - symbol: Na # 17 coordinates: [ 0.650148600000000, 0.030298710000000, 0.523398650000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 18 coordinates: [ 0.650148600000000, 0.530298710000000, 0.523398650000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 19 coordinates: [ 0.349851400000000, 0.280298710000000, 0.976601350000000 ] mass: 22.989769 reduced_to: 19 - symbol: Na # 20 coordinates: [ 0.349851400000000, 0.780298710000000, 0.976601350000000 ] mass: 22.989769 reduced_to: 19 - symbol: Na # 21 coordinates: [ 0.349851400000000, 0.469701290000000, 0.476601350000000 ] mass: 22.989769 reduced_to: 21 - symbol: Na # 22 coordinates: [ 0.349851400000000, 0.969701290000000, 0.476601350000000 ] mass: 22.989769 reduced_to: 21 - symbol: Na # 23 coordinates: [ 0.650148600000000, 0.219701290000000, 0.023398650000000 ] mass: 22.989769 reduced_to: 23 - symbol: Na # 24 coordinates: [ 0.650148600000000, 0.719701290000000, 0.023398650000000 ] mass: 22.989769 reduced_to: 23 - symbol: Na # 25 coordinates: [ 0.135522290000000, 0.231169390000000, 0.487110170000000 ] mass: 22.989769 reduced_to: 25 - symbol: Na # 26 coordinates: [ 0.135522290000000, 0.731169390000000, 0.487110170000000 ] mass: 22.989769 reduced_to: 25 - symbol: Na # 27 coordinates: [ 0.864477710000000, 0.481169390000000, 0.012889830000000 ] mass: 22.989769 reduced_to: 27 - symbol: Na # 28 coordinates: [ 0.864477710000000, 0.981169390000000, 0.012889830000000 ] mass: 22.989769 reduced_to: 27 - symbol: Na # 29 coordinates: [ 0.864477710000000, 0.268830610000000, 0.512889830000000 ] mass: 22.989769 reduced_to: 29 - symbol: Na # 30 coordinates: [ 0.864477710000000, 0.768830610000000, 0.512889830000000 ] mass: 22.989769 reduced_to: 29 - symbol: Na # 31 coordinates: [ 0.135522290000000, 0.018830610000000, 0.987110170000000 ] mass: 22.989769 reduced_to: 31 - symbol: Na # 32 coordinates: [ 0.135522290000000, 0.518830610000000, 0.987110170000000 ] mass: 22.989769 reduced_to: 31 - symbol: Al # 33 coordinates: [ 0.686856070000000, 0.356624975000000, 0.842117710000000 ] mass: 26.981539 reduced_to: 33 - symbol: Al # 34 coordinates: [ 0.686856070000000, 0.856624975000000, 0.842117710000000 ] mass: 26.981539 reduced_to: 33 - symbol: Al # 35 coordinates: [ 0.406874340000000, 0.384402940000000, 0.238805010000000 ] mass: 26.981539 reduced_to: 35 - symbol: Al # 36 coordinates: [ 0.406874340000000, 0.884402940000000, 0.238805010000000 ] mass: 26.981539 reduced_to: 35 - symbol: Al # 37 coordinates: [ 0.406874340000000, 0.365597060000000, 0.738805010000000 ] mass: 26.981539 reduced_to: 37 - symbol: Al # 38 coordinates: [ 0.406874340000000, 0.865597060000000, 0.738805010000000 ] mass: 26.981539 reduced_to: 37 - symbol: Al # 39 coordinates: [ 0.593125660000000, 0.115597060000000, 0.761194990000000 ] mass: 26.981539 reduced_to: 39 - symbol: Al # 40 coordinates: [ 0.593125660000000, 0.615597060000000, 0.761194990000000 ] mass: 26.981539 reduced_to: 39 - symbol: Al # 41 coordinates: [ 0.813433620000000, 0.130280405000000, 0.334066380000000 ] mass: 26.981539 reduced_to: 41 - symbol: Al # 42 coordinates: [ 0.813433620000000, 0.630280405000000, 0.334066380000000 ] mass: 26.981539 reduced_to: 41 - symbol: Al # 43 coordinates: [ 0.186566380000000, 0.380280405000000, 0.165933620000000 ] mass: 26.981539 reduced_to: 43 - symbol: Al # 44 coordinates: [ 0.186566380000000, 0.880280405000000, 0.165933620000000 ] mass: 26.981539 reduced_to: 43 - symbol: Al # 45 coordinates: [ 0.186566380000000, 0.369719595000000, 0.665933620000000 ] mass: 26.981539 reduced_to: 45 - symbol: Al # 46 coordinates: [ 0.186566380000000, 0.869719595000000, 0.665933620000000 ] mass: 26.981539 reduced_to: 45 - symbol: Al # 47 coordinates: [ 0.813433620000000, 0.119719595000000, 0.834066380000000 ] mass: 26.981539 reduced_to: 47 - symbol: Al # 48 coordinates: [ 0.813433620000000, 0.619719595000000, 0.834066380000000 ] mass: 26.981539 reduced_to: 47 - symbol: Al # 49 coordinates: [ 0.095904400000000, 0.142355295000000, 0.227400450000000 ] mass: 26.981539 reduced_to: 49 - symbol: Al # 50 coordinates: [ 0.095904400000000, 0.642355295000000, 0.227400450000000 ] mass: 26.981539 reduced_to: 49 - symbol: Al # 51 coordinates: [ 0.904095600000000, 0.392355295000000, 0.272599550000000 ] mass: 26.981539 reduced_to: 51 - symbol: Al # 52 coordinates: [ 0.904095600000000, 0.892355295000000, 0.272599550000000 ] mass: 26.981539 reduced_to: 51 - symbol: Al # 53 coordinates: [ 0.904095600000000, 0.357644705000000, 0.772599550000000 ] mass: 26.981539 reduced_to: 53 - symbol: Al # 54 coordinates: [ 0.904095600000000, 0.857644705000000, 0.772599550000000 ] mass: 26.981539 reduced_to: 53 - symbol: Al # 55 coordinates: [ 0.095904400000000, 0.107644705000000, 0.727400450000000 ] mass: 26.981539 reduced_to: 55 - symbol: Al # 56 coordinates: [ 0.095904400000000, 0.607644705000000, 0.727400450000000 ] mass: 26.981539 reduced_to: 55 - symbol: Al # 57 coordinates: [ 0.313143930000000, 0.106624975000000, 0.657882290000000 ] mass: 26.981539 reduced_to: 57 - symbol: Al # 58 coordinates: [ 0.313143930000000, 0.606624975000000, 0.657882290000000 ] mass: 26.981539 reduced_to: 57 - symbol: Al # 59 coordinates: [ 0.686856070000000, 0.393375025000000, 0.342117710000000 ] mass: 26.981539 reduced_to: 59 - symbol: Al # 60 coordinates: [ 0.686856070000000, 0.893375025000000, 0.342117710000000 ] mass: 26.981539 reduced_to: 59 - symbol: Al # 61 coordinates: [ 0.313143930000000, 0.143375025000000, 0.157882290000000 ] mass: 26.981539 reduced_to: 61 - symbol: Al # 62 coordinates: [ 0.313143930000000, 0.643375025000000, 0.157882290000000 ] mass: 26.981539 reduced_to: 61 - symbol: Al # 63 coordinates: [ 0.593125660000000, 0.134402940000000, 0.261194990000000 ] mass: 26.981539 reduced_to: 63 - symbol: Al # 64 coordinates: [ 0.593125660000000, 0.634402940000000, 0.261194990000000 ] mass: 26.981539 reduced_to: 63 - symbol: Sb # 65 coordinates: [ 0.842730210000000, 0.278453440000000, 0.922662460000000 ] mass: 121.760000 reduced_to: 65 - symbol: Sb # 66 coordinates: [ 0.842730210000000, 0.778453440000000, 0.922662460000000 ] mass: 121.760000 reduced_to: 65 - symbol: Sb # 67 coordinates: [ 0.024893830000000, 0.269370045000000, 0.665812110000000 ] mass: 121.760000 reduced_to: 67 - symbol: Sb # 68 coordinates: [ 0.024893830000000, 0.769370045000000, 0.665812110000000 ] mass: 121.760000 reduced_to: 67 - symbol: Sb # 69 coordinates: [ 0.024893830000000, 0.480629955000000, 0.165812110000000 ] mass: 121.760000 reduced_to: 69 - symbol: Sb # 70 coordinates: [ 0.024893830000000, 0.980629955000000, 0.165812110000000 ] mass: 121.760000 reduced_to: 69 - symbol: Sb # 71 coordinates: [ 0.975106170000000, 0.230629955000000, 0.334187890000000 ] mass: 121.760000 reduced_to: 71 - symbol: Sb # 72 coordinates: [ 0.975106170000000, 0.730629955000000, 0.334187890000000 ] mass: 121.760000 reduced_to: 71 - symbol: Sb # 73 coordinates: [ 0.975106170000000, 0.019370045000000, 0.834187890000000 ] mass: 121.760000 reduced_to: 73 - symbol: Sb # 74 coordinates: [ 0.975106170000000, 0.519370045000000, 0.834187890000000 ] mass: 121.760000 reduced_to: 73 - symbol: Sb # 75 coordinates: [ 0.157269790000000, 0.028453440000000, 0.577337540000000 ] mass: 121.760000 reduced_to: 75 - symbol: Sb # 76 coordinates: [ 0.157269790000000, 0.528453440000000, 0.577337540000000 ] mass: 121.760000 reduced_to: 75 - symbol: Sb # 77 coordinates: [ 0.157269790000000, 0.221546560000000, 0.077337540000000 ] mass: 121.760000 reduced_to: 77 - symbol: Sb # 78 coordinates: [ 0.157269790000000, 0.721546560000000, 0.077337540000000 ] mass: 121.760000 reduced_to: 77 - symbol: Sb # 79 coordinates: [ 0.842730210000000, 0.471546560000000, 0.422662460000000 ] mass: 121.760000 reduced_to: 79 - symbol: Sb # 80 coordinates: [ 0.842730210000000, 0.971546560000000, 0.422662460000000 ] mass: 121.760000 reduced_to: 79 - symbol: Sb # 81 coordinates: [ 0.662336070000000, 0.028986450000000, 0.906767190000000 ] mass: 121.760000 reduced_to: 81 - symbol: Sb # 82 coordinates: [ 0.662336070000000, 0.528986450000000, 0.906767190000000 ] mass: 121.760000 reduced_to: 81 - symbol: Sb # 83 coordinates: [ 0.337663930000000, 0.278986450000000, 0.593232810000000 ] mass: 121.760000 reduced_to: 83 - symbol: Sb # 84 coordinates: [ 0.337663930000000, 0.778986450000000, 0.593232810000000 ] mass: 121.760000 reduced_to: 83 - symbol: Sb # 85 coordinates: [ 0.337663930000000, 0.471013550000000, 0.093232810000000 ] mass: 121.760000 reduced_to: 85 - symbol: Sb # 86 coordinates: [ 0.337663930000000, 0.971013550000000, 0.093232810000000 ] mass: 121.760000 reduced_to: 85 - symbol: Sb # 87 coordinates: [ 0.662336070000000, 0.221013550000000, 0.406767190000000 ] mass: 121.760000 reduced_to: 87 - symbol: Sb # 88 coordinates: [ 0.662336070000000, 0.721013550000000, 0.406767190000000 ] mass: 121.760000 reduced_to: 87 - symbol: Sb # 89 coordinates: [ 0.752046940000000, 0.084782730000000, 0.170917970000000 ] mass: 121.760000 reduced_to: 89 - symbol: Sb # 90 coordinates: [ 0.752046940000000, 0.584782730000000, 0.170917970000000 ] mass: 121.760000 reduced_to: 89 - symbol: Sb # 91 coordinates: [ 0.247953060000000, 0.334782730000000, 0.329082030000000 ] mass: 121.760000 reduced_to: 91 - symbol: Sb # 92 coordinates: [ 0.247953060000000, 0.834782730000000, 0.329082030000000 ] mass: 121.760000 reduced_to: 91 - symbol: Sb # 93 coordinates: [ 0.247953060000000, 0.415217270000000, 0.829082030000000 ] mass: 121.760000 reduced_to: 93 - symbol: Sb # 94 coordinates: [ 0.247953060000000, 0.915217270000000, 0.829082030000000 ] mass: 121.760000 reduced_to: 93 - symbol: Sb # 95 coordinates: [ 0.752046940000000, 0.165217270000000, 0.670917970000000 ] mass: 121.760000 reduced_to: 95 - symbol: Sb # 96 coordinates: [ 0.752046940000000, 0.665217270000000, 0.670917970000000 ] mass: 121.760000 reduced_to: 95 - symbol: Sb # 97 coordinates: [ 0.520214530000000, 0.263828375000000, 0.845513430000000 ] mass: 121.760000 reduced_to: 97 - symbol: Sb # 98 coordinates: [ 0.520214530000000, 0.763828375000000, 0.845513430000000 ] mass: 121.760000 reduced_to: 97 - symbol: Sb # 99 coordinates: [ 0.479785470000000, 0.013828375000000, 0.654486570000000 ] mass: 121.760000 reduced_to: 99 - symbol: Sb # 100 coordinates: [ 0.479785470000000, 0.513828375000000, 0.654486570000000 ] mass: 121.760000 reduced_to: 99 - symbol: Sb # 101 coordinates: [ 0.479785470000000, 0.236171625000000, 0.154486570000000 ] mass: 121.760000 reduced_to: 101 - symbol: Sb # 102 coordinates: [ 0.479785470000000, 0.736171625000000, 0.154486570000000 ] mass: 121.760000 reduced_to: 101 - symbol: Sb # 103 coordinates: [ 0.520214530000000, 0.486171625000000, 0.345513430000000 ] mass: 121.760000 reduced_to: 103 - symbol: Sb # 104 coordinates: [ 0.520214530000000, 0.986171625000000, 0.345513430000000 ] mass: 121.760000 reduced_to: 103 - symbol: Sb # 105 coordinates: [ 0.744953200000000, 0.379663915000000, 0.176303800000000 ] mass: 121.760000 reduced_to: 105 - symbol: Sb # 106 coordinates: [ 0.744953200000000, 0.879663915000000, 0.176303800000000 ] mass: 121.760000 reduced_to: 105 - symbol: Sb # 107 coordinates: [ 0.255046800000000, 0.129663915000000, 0.323696200000000 ] mass: 121.760000 reduced_to: 107 - symbol: Sb # 108 coordinates: [ 0.255046800000000, 0.629663915000000, 0.323696200000000 ] mass: 121.760000 reduced_to: 107 - symbol: Sb # 109 coordinates: [ 0.255046800000000, 0.120336085000000, 0.823696200000000 ] mass: 121.760000 reduced_to: 109 - symbol: Sb # 110 coordinates: [ 0.255046800000000, 0.620336085000000, 0.823696200000000 ] mass: 121.760000 reduced_to: 109 - symbol: Sb # 111 coordinates: [ 0.744953200000000, 0.370336085000000, 0.676303800000000 ] mass: 121.760000 reduced_to: 111 - symbol: Sb # 112 coordinates: [ 0.744953200000000, 0.870336085000000, 0.676303800000000 ] mass: 121.760000 reduced_to: 111displacements:- atom: 1 displacement: [ 0.0099999992956673, 0.0000000000000000, 0.0000037532191477 ] forces: - [ -0.0288449200000000, 0.0073147900000000, -0.0194388800000000 ] - [ -0.0066899500000000, 0.0072536900000000, -0.0166896400000000 ] - [ -0.0066477500000000, -0.0072162200000000, -0.0167326900000000 ] - [ -0.0066577800000000, -0.0071753800000000, -0.0167414000000000 ] - [ 0.0065637600000000, -0.0072113700000000, 0.0168080800000000 ] - [ 0.0068035200000000, -0.0076228600000000, 0.0181875900000000 ] - [ 0.0065096900000000, 0.0072613600000000, 0.0166186100000000 ] - [ 0.0065095700000000, 0.0072367800000000, 0.0166728300000000 ] - [ -0.0013259700000000, -0.0002966000000000, -0.0054121800000000 ] - [ -0.0013907100000000, -0.0002650600000000, -0.0054354100000000 ] - [ 0.0017041600000000, -0.0004221800000000, 0.0053448000000000 ] - [ 0.0016994000000000, -0.0001746000000000, 0.0053586300000000 ] - [ 0.0015403200000000, 0.0002849000000000, 0.0053686800000000 ] - [ 0.0015796500000000, 0.0002787200000000, 0.0054848900000000 ] - [ -0.0014269800000000, 0.0002778700000000, -0.0053277500000000 ] - [ -0.0014476500000000, 0.0002614600000000, -0.0053321300000000 ] - [ 0.0115995200000000, -0.0067191100000000, 0.0014626200000000 ] - [ 0.0116402100000000, -0.0066715100000000, 0.0014594800000000 ] - [ -0.0118198700000000, -0.0073054200000000, -0.0017361700000000 ] - [ -0.0117754700000000, -0.0061822800000000, -0.0017401200000000 ] - [ -0.0117015500000000, 0.0066387100000000, -0.0015965600000000 ] - [ -0.0117976500000000, 0.0066330500000000, -0.0016380100000000 ] - [ 0.0118319400000000, 0.0070513200000000, 0.0018301500000000 ] - [ 0.0116418900000000, 0.0066214900000000, 0.0016270500000000 ] - [ -0.0000162700000000, -0.0041371700000000, 0.0088974700000000 ] - [ 0.0000023300000000, -0.0039756300000000, 0.0088903000000000 ] - [ 0.0000558200000000, -0.0040212100000000, -0.0088221800000000 ] - [ 0.0002712700000000, -0.0041268200000000, -0.0087256300000000 ] - [ 0.0001140100000000, 0.0040973000000000, -0.0089797100000000 ] - [ 0.0000852300000000, 0.0040276400000000, -0.0089401100000000 ] - [ 0.0003992100000000, 0.0040712700000000, 0.0087057200000000 ] - [ 0.0000174000000000, 0.0040708000000000, 0.0089286300000000 ] - [ -0.0157913000000000, -0.0336623100000000, -0.0313888100000000 ] - [ -0.0156671300000000, -0.0348486900000000, -0.0316176100000000 ] - [ -0.0207417400000000, -0.0490713900000000, -0.0057734700000000 ] - [ -0.0210520400000000, -0.0488950300000000, -0.0058592600000000 ] - [ -0.0212061300000000, 0.0490521900000000, -0.0060736200000000 ] - [ -0.0220876600000000, 0.0495023700000000, -0.0049337200000000 ] - [ 0.0227702600000000, 0.0511890200000000, 0.0020632600000000 ] - [ 0.0208565800000000, 0.0490586400000000, 0.0057182800000000 ] - [ 0.0436709800000000, -0.0188553800000000, -0.0208807600000000 ] - [ 0.0436340900000000, -0.0188823700000000, -0.0209431000000000 ] - [ -0.0436224900000000, -0.0190075800000000, 0.0209718700000000 ] - [ -0.0433051700000000, -0.0189972000000000, 0.0210562400000000 ] - [ -0.0435322000000000, 0.0188650700000000, 0.0209689800000000 ] - [ -0.0435106700000000, 0.0193333300000000, 0.0215670700000000 ] - [ 0.0443987000000000, 0.0196658800000000, -0.0213260800000000 ] - [ 0.0435922600000000, 0.0189134700000000, -0.0209721900000000 ] - [ 0.0436215200000000, -0.0187813700000000, -0.0269267800000000 ] - [ 0.0436123000000000, -0.0188121100000000, -0.0269269400000000 ] - [ -0.0434889600000000, -0.0188672100000000, 0.0268592900000000 ] - [ -0.0434258000000000, -0.0188647900000000, 0.0268917400000000 ] - [ -0.0433402900000000, 0.0187667500000000, 0.0267192600000000 ] - [ -0.0433540800000000, 0.0188207600000000, 0.0268355900000000 ] - [ 0.0444533300000000, 0.0189042500000000, -0.0266756700000000 ] - [ 0.0436282300000000, 0.0189136800000000, -0.0269977400000000 ] - [ 0.0150939400000000, -0.0334883600000000, 0.0323911000000000 ] - [ 0.0157417100000000, -0.0334502400000000, 0.0314305000000000 ] - [ -0.0158911400000000, 0.0336276400000000, -0.0313654500000000 ] - [ -0.0159926700000000, 0.0336582200000000, -0.0312848900000000 ] - [ 0.0158362600000000, 0.0332289200000000, 0.0313108500000000 ] - [ 0.0158170400000000, 0.0336038200000000, 0.0314153800000000 ] - [ 0.0205608300000000, -0.0492083900000000, 0.0058093700000000 ] - [ 0.0206295100000000, -0.0491487300000000, 0.0057215300000000 ] - [ 0.0788542100000000, 0.0155030300000000, -0.0143394500000000 ] - [ 0.0788350200000000, 0.0159367900000000, -0.0143332800000000 ] - [ 0.1312331600000000, 0.0060653700000000, 0.0082074900000000 ] - [ 0.1313065400000000, 0.0055502500000000, 0.0082205500000000 ] - [ 0.1315117400000000, -0.0057911800000000, 0.0083077200000000 ] - [ 0.1314859400000000, -0.0057919300000000, 0.0082984700000000 ] - [ -0.1316869900000000, -0.0058141500000000, -0.0083131900000000 ] - [ -0.1316676300000000, -0.0058099300000000, -0.0083229500000000 ] - [ -0.1324159400000000, 0.0055600800000000, -0.0081100400000000 ] - [ -0.1317305000000000, 0.0057727800000000, -0.0082061200000000 ] - [ -0.0792805800000000, 0.0156295000000000, 0.0136910000000000 ] - [ -0.0790640300000000, 0.0157871900000000, 0.0143858700000000 ] - [ -0.0791113300000000, -0.0157166700000000, 0.0144302600000000 ] - [ -0.0791465400000000, -0.0158332000000000, 0.0143738500000000 ] - [ 0.0790094500000000, -0.0157471000000000, -0.0143565700000000 ] - [ 0.0789478500000000, -0.0157157400000000, -0.0144098200000000 ] - [ -0.0161287800000000, -0.0063310300000000, -0.0628427200000000 ] - [ -0.0245921400000000, -0.0060992900000000, -0.0641435800000000 ] - [ 0.0247228700000000, -0.0058494900000000, 0.0639400700000000 ] - [ 0.0247358400000000, -0.0061071400000000, 0.0638772100000000 ] - [ 0.0245198900000000, 0.0060025600000000, 0.0641042100000000 ] - [ 0.0254999800000000, 0.0063783100000000, 0.0629351300000000 ] - [ -0.0244167800000000, 0.0060451400000000, -0.0641135000000000 ] - [ -0.0244308100000000, 0.0060258200000000, -0.0641392900000000 ] - [ -0.0211301100000000, -0.1936160200000000, 0.0706618400000000 ] - [ -0.0211180700000000, -0.1935961600000000, 0.0707807600000000 ] - [ 0.0211403100000000, -0.1934685600000000, -0.0707607300000000 ] - [ 0.0211180500000000, -0.1936871500000000, -0.0707514800000000 ] - [ 0.0212223900000000, 0.1936230200000000, -0.0707763700000000 ] - [ 0.0245778400000000, 0.1959095000000000, -0.0701229700000000 ] - [ -0.0212293900000000, 0.1934157700000000, 0.0709983200000000 ] - [ -0.0212540400000000, 0.1938241100000000, 0.0709520400000000 ] - [ 0.0574818300000000, -0.0154398500000000, -0.0079808900000000 ] - [ 0.0571734000000000, -0.0152814400000000, -0.0079819800000000 ] - [ -0.0561771900000000, -0.0155718300000000, 0.0083164200000000 ] - [ -0.0567284000000000, -0.0156337400000000, 0.0084073500000000 ] - [ -0.0567097100000000, 0.0155010900000000, 0.0081194400000000 ] - [ -0.0567395100000000, 0.0155435700000000, 0.0082050400000000 ] - [ 0.0569039100000000, 0.0155281200000000, -0.0081610700000000 ] - [ 0.0570371500000000, 0.0154907100000000, -0.0080787500000000 ] - [ -0.0095916000000000, 0.2020352300000000, 0.0797798400000000 ] - [ -0.0096100500000000, 0.2020454700000000, 0.0797493800000000 ] - [ 0.0096474400000000, 0.2020282900000000, -0.0798609200000000 ] - [ 0.0095253500000000, 0.2019253500000000, -0.0797332000000000 ] - [ 0.0162515400000000, -0.2060594300000000, -0.0769860700000000 ] - [ 0.0095959000000000, -0.2021056900000000, -0.0797726100000000 ] - [ -0.0098085700000000, -0.2021620200000000, 0.0799939300000000 ] - [ -0.0095033700000000, -0.2020189000000000, 0.0797202300000000 ]- atom: 1 displacement: [ -0.0099999992956673, 0.0000000000000000, -0.0000037532191477 ] forces: - [ 0.0155537700000000, 0.0070752200000000, -0.0139035100000000 ] - [ -0.0064969500000000, 0.0071944100000000, -0.0168156900000000 ] - [ -0.0065392000000000, -0.0072353200000000, -0.0167732000000000 ] - [ -0.0065290500000000, -0.0072760500000000, -0.0167643200000000 ] - [ 0.0066234600000000, -0.0072379500000000, 0.0166970000000000 ] - [ 0.0063811500000000, -0.0068278700000000, 0.0153255900000000 ] - [ 0.0066776400000000, 0.0071897600000000, 0.0168864300000000 ] - [ 0.0066776400000000, 0.0072144900000000, 0.0168323500000000 ] - [ -0.0016649400000000, -0.0002542300000000, -0.0053601200000000 ] - [ -0.0016003700000000, -0.0002859200000000, -0.0053380500000000 ] - [ 0.0012869300000000, -0.0001292200000000, 0.0054272900000000 ] - [ 0.0012925200000000, -0.0003752000000000, 0.0054135500000000 ] - [ 0.0014515500000000, 0.0002655700000000, 0.0054044100000000 ] - [ 0.0014122400000000, 0.0002713800000000, 0.0052878900000000 ] - [ -0.0015642200000000, 0.0002734300000000, -0.0054454200000000 ] - [ -0.0015435200000000, 0.0002895400000000, -0.0054407300000000 ] - [ 0.0117287100000000, -0.0066384300000000, 0.0016384300000000 ] - [ 0.0116884500000000, -0.0066864700000000, 0.0016413800000000 ] - [ -0.0115055400000000, -0.0060516000000000, -0.0013648200000000 ] - [ -0.0115505500000000, -0.0071738900000000, -0.0013608000000000 ] - [ -0.0116271200000000, 0.0067188700000000, -0.0015048600000000 ] - [ -0.0115307100000000, 0.0067243400000000, -0.0014636400000000 ] - [ 0.0114982700000000, 0.0063080900000000, 0.0012721800000000 ] - [ 0.0116867900000000, 0.0067344400000000, 0.0014746100000000 ] - [ -0.0000369600000000, -0.0039632800000000, 0.0089013700000000 ] - [ -0.0000553800000000, -0.0041251000000000, 0.0089085500000000 ] - [ -0.0000028000000000, -0.0040815100000000, -0.0089767400000000 ] - [ -0.0002177500000000, -0.0039748700000000, -0.0090749400000000 ] - [ -0.0000603400000000, 0.0040032400000000, -0.0088189900000000 ] - [ -0.0000315300000000, 0.0040722700000000, -0.0088588200000000 ] - [ -0.0004575200000000, 0.0040298200000000, 0.0090948900000000 ] - [ -0.0000706000000000, 0.0040309900000000, 0.0088705300000000 ] - [ -0.0159612500000000, -0.0335330400000000, -0.0313868200000000 ] - [ -0.0160809300000000, -0.0323510000000000, -0.0311584400000000 ] - [ -0.0206169700000000, -0.0492230300000000, -0.0057773300000000 ] - [ -0.0203088200000000, -0.0493997900000000, -0.0056919300000000 ] - [ -0.0201523700000000, 0.0492409100000000, -0.0054776900000000 ] - [ -0.0192661800000000, 0.0488016000000000, -0.0066089800000000 ] - [ 0.0186166900000000, 0.0471332400000000, 0.0094407400000000 ] - [ 0.0205027100000000, 0.0492354000000000, 0.0058333200000000 ] - [ 0.0435096900000000, -0.0190021400000000, -0.0210235100000000 ] - [ 0.0435468000000000, -0.0189758800000000, -0.0209615100000000 ] - [ -0.0435578700000000, -0.0188500800000000, 0.0209327200000000 ] - [ -0.0438728800000000, -0.0188578300000000, 0.0208495900000000 ] - [ -0.0436500600000000, 0.0189921700000000, 0.0209351100000000 ] - [ -0.0436730300000000, 0.0185220100000000, 0.0203419500000000 ] - [ 0.0427849900000000, 0.0181795200000000, -0.0205702400000000 ] - [ 0.0435879500000000, 0.0189434900000000, -0.0209322000000000 ] - [ 0.0434612600000000, -0.0188747200000000, -0.0268587000000000 ] - [ 0.0434704500000000, -0.0188433200000000, -0.0268583400000000 ] - [ -0.0435932600000000, -0.0187881100000000, 0.0269260800000000 ] - [ -0.0436556700000000, -0.0187907700000000, 0.0268930700000000 ] - [ -0.0437421400000000, 0.0188871100000000, 0.0270659200000000 ] - [ -0.0437267500000000, 0.0188363600000000, 0.0269498300000000 ] - [ 0.0426327300000000, 0.0187534500000000, -0.0271014700000000 ] - [ 0.0434532500000000, 0.0187422900000000, -0.0267886900000000 ] - [ 0.0166592300000000, -0.0337075000000000, 0.0303820400000000 ] - [ 0.0160092500000000, -0.0337447300000000, 0.0313428300000000 ] - [ -0.0158594500000000, 0.0335667100000000, -0.0314088100000000 ] - [ -0.0157583900000000, 0.0335356900000000, -0.0314893800000000 ] - [ 0.0159148800000000, 0.0339643000000000, 0.0314642000000000 ] - [ 0.0159337000000000, 0.0335904500000000, 0.0313587800000000 ] - [ 0.0207978000000000, -0.0490855600000000, 0.0057412400000000 ] - [ 0.0207296000000000, -0.0491455200000000, 0.0058291000000000 ] - [ 0.0792533100000000, 0.0160294600000000, -0.0143904600000000 ] - [ 0.0792708800000000, 0.0155957300000000, -0.0143956100000000 ] - [ 0.1319263200000000, 0.0055360600000000, 0.0084241700000000 ] - [ 0.1318536200000000, 0.0060478800000000, 0.0084110600000000 ] - [ 0.1316489300000000, -0.0058092600000000, 0.0083258400000000 ] - [ 0.1316741800000000, -0.0058089600000000, 0.0083359900000000 ] - [ -0.1314737400000000, -0.0057862100000000, -0.0083209400000000 ] - [ -0.1314931600000000, -0.0057901600000000, -0.0083111900000000 ] - [ -0.1307428100000000, 0.0060417000000000, -0.0085264800000000 ] - [ -0.1314303800000000, 0.0058284000000000, -0.0084273800000000 ] - [ -0.0788228800000000, 0.0159019100000000, 0.0150396700000000 ] - [ -0.0790421400000000, 0.0157441100000000, 0.0143445100000000 ] - [ -0.0789957700000000, -0.0158150400000000, 0.0142984900000000 ] - [ -0.0789605400000000, -0.0156993800000000, 0.0143547900000000 ] - [ 0.0790975000000000, -0.0157845500000000, -0.0143738800000000 ] - [ 0.0791583600000000, -0.0158157100000000, -0.0143204500000000 ] - [ -0.0324792900000000, -0.0057019300000000, -0.0654300400000000 ] - [ -0.0243578600000000, -0.0059478400000000, -0.0641320400000000 ] - [ 0.0242272700000000, -0.0061988900000000, 0.0643369900000000 ] - [ 0.0242131500000000, -0.0059403300000000, 0.0643995800000000 ] - [ 0.0244305100000000, 0.0060447100000000, 0.0641712000000000 ] - [ 0.0234435900000000, 0.0056622400000000, 0.0653599600000000 ] - [ -0.0245326900000000, 0.0060019400000000, -0.0641619100000000 ] - [ -0.0245192800000000, 0.0060215800000000, -0.0641360900000000 ] - [ -0.0211130600000000, -0.1935309200000000, 0.0709219600000000 ] - [ -0.0211247200000000, -0.1935502600000000, 0.0708041600000000 ] - [ 0.0211020200000000, -0.1936771000000000, -0.0708242900000000 ] - [ 0.0211247200000000, -0.1934599900000000, -0.0708328900000000 ] - [ 0.0210211600000000, 0.1935223300000000, -0.0708089100000000 ] - [ 0.0175769800000000, 0.1911697400000000, -0.0715127300000000 ] - [ -0.0210140300000000, 0.1937281900000000, 0.0705889500000000 ] - [ -0.0209885600000000, 0.1933232200000000, 0.0706335700000000 ] - [ 0.0562524800000000, -0.0156655900000000, -0.0084075300000000 ] - [ 0.0565566500000000, -0.0158282600000000, -0.0084089600000000 ] - [ -0.0575526000000000, -0.0155365000000000, 0.0080746700000000 ] - [ -0.0570040200000000, -0.0154743900000000, 0.0079818200000000 ] - [ -0.0570218600000000, 0.0156066400000000, 0.0082706100000000 ] - [ -0.0569922100000000, 0.0155639500000000, 0.0081840800000000 ] - [ 0.0568280700000000, 0.0155792800000000, -0.0082285000000000 ] - [ 0.0566945600000000, 0.0156167900000000, -0.0083119400000000 ] - [ -0.0095842300000000, 0.2020241500000000, 0.0798285600000000 ] - [ -0.0095663000000000, 0.2020139100000000, 0.0798587100000000 ] - [ 0.0095289700000000, 0.2020314300000000, -0.0797478700000000 ] - [ 0.0096506100000000, 0.2021338100000000, -0.0798749100000000 ] - [ 0.0027267700000000, -0.1978868700000000, -0.0827358600000000 ] - [ 0.0095809400000000, -0.2019536600000000, -0.0798358000000000 ] - [ -0.0093661800000000, -0.2018976600000000, 0.0796150300000000 ] - [ -0.0096722900000000, -0.2020403800000000, 0.0798879700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0064046900000000, 0.0016801600000000, -0.0149995200000000 ] - [ -0.0065647500000000, 0.0074728400000000, -0.0167409200000000 ] - [ -0.0066033600000000, -0.0072537200000000, -0.0167315500000000 ] - [ -0.0066436700000000, -0.0071930800000000, -0.0167479300000000 ] - [ 0.0066066300000000, -0.0071448000000000, 0.0167818800000000 ] - [ 0.0061947500000000, -0.0075249600000000, 0.0161211500000000 ] - [ 0.0065829500000000, 0.0072145700000000, 0.0165368700000000 ] - [ 0.0065580500000000, 0.0072150700000000, 0.0168888700000000 ] - [ -0.0015105700000000, -0.0003519400000000, -0.0054092100000000 ] - [ -0.0014694400000000, -0.0001485000000000, -0.0053911700000000 ] - [ 0.0014874500000000, -0.0002343600000000, 0.0054198100000000 ] - [ 0.0015322600000000, -0.0001976500000000, 0.0053820400000000 ] - [ 0.0015311200000000, 0.0002968800000000, 0.0053754800000000 ] - [ 0.0014949300000000, 0.0002741400000000, 0.0053350100000000 ] - [ -0.0015003300000000, 0.0002646800000000, -0.0053647000000000 ] - [ -0.0014740300000000, 0.0002837600000000, -0.0053838100000000 ] - [ 0.0116207900000000, -0.0066836600000000, 0.0015279100000000 ] - [ 0.0116680400000000, -0.0066528700000000, 0.0015504100000000 ] - [ -0.0123583400000000, -0.0053929700000000, -0.0010618600000000 ] - [ -0.0110719100000000, -0.0055519800000000, -0.0020273200000000 ] - [ -0.0116801800000000, 0.0067148300000000, -0.0015742000000000 ] - [ -0.0116459200000000, 0.0066422000000000, -0.0015773600000000 ] - [ 0.0120462000000000, 0.0067477400000000, 0.0017940200000000 ] - [ 0.0115400400000000, 0.0067416300000000, 0.0014744800000000 ] - [ -0.0000398500000000, -0.0040733200000000, 0.0088645200000000 ] - [ 0.0000216100000000, -0.0040458100000000, 0.0089175200000000 ] - [ 0.0000235000000000, -0.0040407400000000, -0.0088889100000000 ] - [ 0.0000526700000000, -0.0040442900000000, -0.0088540700000000 ] - [ 0.0000358500000000, 0.0040343800000000, -0.0089868300000000 ] - [ 0.0000324800000000, 0.0040215500000000, -0.0088572200000000 ] - [ 0.0000234100000000, 0.0039022900000000, 0.0089208500000000 ] - [ -0.0000309300000000, 0.0040834600000000, 0.0089227400000000 ] - [ -0.0148404100000000, -0.0332829600000000, -0.0309538400000000 ] - [ -0.0166156700000000, -0.0339571900000000, -0.0313434200000000 ] - [ -0.0207927000000000, -0.0489778900000000, -0.0057677300000000 ] - [ -0.0207644800000000, -0.0490004500000000, -0.0058162700000000 ] - [ -0.0213547400000000, 0.0494634300000000, -0.0061576700000000 ] - [ -0.0202959900000000, 0.0506497500000000, -0.0026893800000000 ] - [ 0.0227942200000000, 0.0485825300000000, 0.0038287900000000 ] - [ 0.0203729400000000, 0.0499938900000000, 0.0061193900000000 ] - [ 0.0436019100000000, -0.0189565400000000, -0.0209576700000000 ] - [ 0.0435933500000000, -0.0188650800000000, -0.0209492200000000 ] - [ -0.0436081400000000, -0.0188908200000000, 0.0209808900000000 ] - [ -0.0434850400000000, -0.0186428600000000, 0.0209979300000000 ] - [ -0.0435917500000000, 0.0190629300000000, 0.0208869900000000 ] - [ -0.0435830100000000, 0.0190305000000000, 0.0214649100000000 ] - [ 0.0434923900000000, 0.0189044800000000, -0.0207261100000000 ] - [ 0.0435854600000000, 0.0189094800000000, -0.0211166100000000 ] - [ 0.0435588700000000, -0.0189271700000000, -0.0268920200000000 ] - [ 0.0435922000000000, -0.0187857600000000, -0.0269085000000000 ] - [ -0.0435198100000000, -0.0188471400000000, 0.0268719100000000 ] - [ -0.0435169100000000, -0.0187970700000000, 0.0268562800000000 ] - [ -0.0434210900000000, 0.0189025000000000, 0.0270862500000000 ] - [ -0.0435004600000000, 0.0186959800000000, 0.0267657400000000 ] - [ 0.0432454000000000, 0.0188098900000000, -0.0271031000000000 ] - [ 0.0435123300000000, 0.0189004100000000, -0.0269347300000000 ] - [ 0.0160577000000000, -0.0337189400000000, 0.0309352800000000 ] - [ 0.0158600900000000, -0.0334737400000000, 0.0313904200000000 ] - [ -0.0158771900000000, 0.0335942500000000, -0.0313737500000000 ] - [ -0.0158985500000000, 0.0336205900000000, -0.0313928400000000 ] - [ 0.0156727300000000, 0.0332133200000000, 0.0316151100000000 ] - [ 0.0158967400000000, 0.0336938800000000, 0.0314116500000000 ] - [ 0.0207854800000000, -0.0493048500000000, 0.0058004900000000 ] - [ 0.0206133900000000, -0.0490799400000000, 0.0057206800000000 ] - [ 0.0789118600000000, 0.0158046700000000, -0.0144492200000000 ] - [ 0.0790938100000000, 0.0158481100000000, -0.0143394300000000 ] - [ 0.1315889400000000, 0.0057420700000000, 0.0083783200000000 ] - [ 0.1314626000000000, 0.0056868500000000, 0.0082132900000000 ] - [ 0.1315488200000000, -0.0058127700000000, 0.0083136600000000 ] - [ 0.1314777200000000, -0.0058216800000000, 0.0083509600000000 ] - [ -0.1315578300000000, -0.0057829900000000, -0.0083116300000000 ] - [ -0.1316130100000000, -0.0057946900000000, -0.0083188700000000 ] - [ -0.1314479400000000, 0.0059887900000000, -0.0082869400000000 ] - [ -0.1315484500000000, 0.0057612200000000, -0.0083602800000000 ] - [ -0.0790191100000000, 0.0161587700000000, 0.0145233100000000 ] - [ -0.0790943000000000, 0.0156673100000000, 0.0143842800000000 ] - [ -0.0790525300000000, -0.0156891300000000, 0.0142699500000000 ] - [ -0.0790851200000000, -0.0158384900000000, 0.0143640100000000 ] - [ 0.0790238200000000, -0.0158091500000000, -0.0143354600000000 ] - [ 0.0790632800000000, -0.0157422700000000, -0.0143298800000000 ] - [ -0.0242645000000000, -0.0061743700000000, -0.0643861600000000 ] - [ -0.0246271600000000, -0.0065872800000000, -0.0641130700000000 ] - [ 0.0245430000000000, -0.0060830300000000, 0.0643153700000000 ] - [ 0.0243915800000000, -0.0061321300000000, 0.0638296700000000 ] - [ 0.0244845500000000, 0.0059431700000000, 0.0641232200000000 ] - [ 0.0244595000000000, 0.0063155500000000, 0.0636468000000000 ] - [ -0.0245129600000000, 0.0060756100000000, -0.0641709500000000 ] - [ -0.0244494100000000, 0.0059969800000000, -0.0641260800000000 ] - [ -0.0211253100000000, -0.1935495800000000, 0.0707790400000000 ] - [ -0.0211126400000000, -0.1935878800000000, 0.0707995900000000 ] - [ 0.0211534500000000, -0.1934352300000000, -0.0707469000000000 ] - [ 0.0211481000000000, -0.1935902100000000, -0.0708610300000000 ] - [ 0.0211627600000000, 0.1934825300000000, -0.0707308100000000 ] - [ 0.0231235600000000, 0.1939589100000000, -0.0707227500000000 ] - [ -0.0213332500000000, 0.1936917300000000, 0.0708519800000000 ] - [ -0.0209170300000000, 0.1934418600000000, 0.0706976000000000 ] - [ 0.0566223900000000, -0.0146629600000000, -0.0083187400000000 ] - [ 0.0572959400000000, -0.0162279700000000, -0.0090407400000000 ] - [ -0.0569327400000000, -0.0152489600000000, 0.0081603000000000 ] - [ -0.0567629900000000, -0.0160778100000000, 0.0082866700000000 ] - [ -0.0568416200000000, 0.0154126400000000, 0.0078808700000000 ] - [ -0.0568261700000000, 0.0154568200000000, 0.0082386100000000 ] - [ 0.0568911400000000, 0.0154869100000000, -0.0082030200000000 ] - [ 0.0568845800000000, 0.0155551800000000, -0.0081828800000000 ] - [ -0.0095794800000000, 0.2020215100000000, 0.0797823600000000 ] - [ -0.0096268000000000, 0.2020349100000000, 0.0798168200000000 ] - [ 0.0096773300000000, 0.2020823800000000, -0.0798870900000000 ] - [ 0.0095147000000000, 0.2019351300000000, -0.0797018600000000 ] - [ 0.0060903700000000, -0.2013427700000000, -0.0808934300000000 ] - [ 0.0096140500000000, -0.2020584300000000, -0.0798223700000000 ] - [ -0.0100120700000000, -0.2021510000000000, 0.0799869100000000 ] - [ -0.0095094400000000, -0.2019237300000000, 0.0797791200000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0066614300000000, 0.0127075800000000, -0.0184373600000000 ] - [ -0.0066236800000000, 0.0069743000000000, -0.0167633900000000 ] - [ -0.0065842500000000, -0.0071968800000000, -0.0167744800000000 ] - [ -0.0065442000000000, -0.0072573500000000, -0.0167575400000000 ] - [ 0.0065803300000000, -0.0073036900000000, 0.0167233000000000 ] - [ 0.0069896000000000, -0.0069182100000000, 0.0173801300000000 ] - [ 0.0066044000000000, 0.0072362000000000, 0.0169679100000000 ] - [ 0.0066289700000000, 0.0072367600000000, 0.0166158300000000 ] - [ -0.0014810600000000, -0.0001979400000000, -0.0053638200000000 ] - [ -0.0015223300000000, -0.0004018300000000, -0.0053819600000000 ] - [ 0.0015044100000000, -0.0003161300000000, 0.0053529100000000 ] - [ 0.0014600400000000, -0.0003523300000000, 0.0053908200000000 ] - [ 0.0014608700000000, 0.0002537200000000, 0.0053976700000000 ] - [ 0.0014968400000000, 0.0002762000000000, 0.0054383000000000 ] - [ -0.0014918100000000, 0.0002860000000000, -0.0054080500000000 ] - [ -0.0015176900000000, 0.0002680000000000, -0.0053886800000000 ] - [ 0.0117067800000000, -0.0066736200000000, 0.0015733300000000 ] - [ 0.0116604800000000, -0.0067045600000000, 0.0015505700000000 ] - [ -0.0109799800000000, -0.0079463000000000, -0.0020330300000000 ] - [ -0.0122671200000000, -0.0078207600000000, -0.0010661800000000 ] - [ -0.0116489100000000, 0.0066432700000000, -0.0015275400000000 ] - [ -0.0116822400000000, 0.0067160000000000, -0.0015236200000000 ] - [ 0.0112851500000000, 0.0066092800000000, 0.0013093700000000 ] - [ 0.0117892000000000, 0.0066156600000000, 0.0016286300000000 ] - [ -0.0000135500000000, -0.0040265800000000, 0.0089343400000000 ] - [ -0.0000747200000000, -0.0040534800000000, 0.0088810100000000 ] - [ 0.0000295600000000, -0.0040604800000000, -0.0089093600000000 ] - [ -0.0000005200000000, -0.0040564600000000, -0.0089451600000000 ] - [ 0.0000171900000000, 0.0040655300000000, -0.0088122600000000 ] - [ 0.0000207100000000, 0.0040788300000000, -0.0089420900000000 ] - [ -0.0000756200000000, 0.0041999700000000, 0.0088778200000000 ] - [ -0.0000225000000000, 0.0040185800000000, 0.0088765200000000 ] - [ -0.0169097100000000, -0.0339109400000000, -0.0318210600000000 ] - [ -0.0151303800000000, -0.0332314700000000, -0.0314310600000000 ] - [ -0.0205672200000000, -0.0493148800000000, -0.0057831200000000 ] - [ -0.0205983200000000, -0.0492915500000000, -0.0057348200000000 ] - [ -0.0200070400000000, 0.0488328200000000, -0.0053927300000000 ] - [ -0.0210785000000000, 0.0476295500000000, -0.0089035800000000 ] - [ 0.0185724100000000, 0.0496929300000000, 0.0077170300000000 ] - [ 0.0209883600000000, 0.0482944100000000, 0.0054289500000000 ] - [ 0.0435783500000000, -0.0189010800000000, -0.0209473700000000 ] - [ 0.0435872800000000, -0.0189921600000000, -0.0209557000000000 ] - [ -0.0435729900000000, -0.0189665600000000, 0.0209241800000000 ] - [ -0.0436918000000000, -0.0192116800000000, 0.0209084800000000 ] - [ -0.0435897100000000, 0.0187953700000000, 0.0210179300000000 ] - [ -0.0435982100000000, 0.0188274700000000, 0.0204425700000000 ] - [ 0.0436860000000000, 0.0189473300000000, -0.0211772000000000 ] - [ 0.0435961100000000, 0.0189488600000000, -0.0207883100000000 ] - [ 0.0435237000000000, -0.0187282400000000, -0.0268929800000000 ] - [ 0.0434910000000000, -0.0188687600000000, -0.0268763700000000 ] - [ -0.0435628000000000, -0.0188078900000000, 0.0269130900000000 ] - [ -0.0435659000000000, -0.0188571900000000, 0.0269283600000000 ] - [ -0.0436613200000000, 0.0187530300000000, 0.0266985000000000 ] - [ -0.0435821600000000, 0.0189608400000000, 0.0270198700000000 ] - [ 0.0438402900000000, 0.0188464500000000, -0.0266780500000000 ] - [ 0.0435697400000000, 0.0187559100000000, -0.0268506200000000 ] - [ 0.0156941200000000, -0.0334777300000000, 0.0318407400000000 ] - [ 0.0158895300000000, -0.0337196700000000, 0.0313840900000000 ] - [ -0.0158739800000000, 0.0336004500000000, -0.0314007500000000 ] - [ -0.0158530000000000, 0.0335749000000000, -0.0313817100000000 ] - [ 0.0160778000000000, 0.0339790200000000, 0.0311584000000000 ] - [ 0.0158534500000000, 0.0335015700000000, 0.0313632200000000 ] - [ 0.0205744200000000, -0.0489903500000000, 0.0057500600000000 ] - [ 0.0207458700000000, -0.0492138600000000, 0.0058295100000000 ] - [ 0.0791928500000000, 0.0157298100000000, -0.0142804000000000 ] - [ 0.0790106600000000, 0.0156841700000000, -0.0143902800000000 ] - [ 0.1315704500000000, 0.0058593300000000, 0.0082554400000000 ] - [ 0.1316974900000000, 0.0059120500000000, 0.0084199100000000 ] - [ 0.1316112000000000, -0.0057871700000000, 0.0083201100000000 ] - [ 0.1316817100000000, -0.0057784700000000, 0.0082838500000000 ] - [ -0.1316032400000000, -0.0058166400000000, -0.0083221500000000 ] - [ -0.1315482200000000, -0.0058050400000000, -0.0083149300000000 ] - [ -0.1317114800000000, 0.0056112800000000, -0.0083481100000000 ] - [ -0.1316123700000000, 0.0058394800000000, -0.0082736900000000 ] - [ -0.0790874200000000, 0.0153729200000000, 0.0142067300000000 ] - [ -0.0790122700000000, 0.0158645800000000, 0.0143468500000000 ] - [ -0.0790546200000000, -0.0158422200000000, 0.0144595000000000 ] - [ -0.0790222800000000, -0.0156938500000000, 0.0143655800000000 ] - [ 0.0790823700000000, -0.0157221400000000, -0.0143951400000000 ] - [ 0.0790432800000000, -0.0157894200000000, -0.0144002500000000 ] - [ -0.0247125100000000, -0.0058670600000000, -0.0638943500000000 ] - [ -0.0243246200000000, -0.0054582700000000, -0.0641629000000000 ] - [ 0.0244083900000000, -0.0059628000000000, 0.0639604500000000 ] - [ 0.0245597800000000, -0.0059156400000000, 0.0644467300000000 ] - [ 0.0244656100000000, 0.0061043900000000, 0.0641520200000000 ] - [ 0.0244869200000000, 0.0057300200000000, 0.0646308100000000 ] - [ -0.0244379800000000, 0.0059725500000000, -0.0641048300000000 ] - [ -0.0245010400000000, 0.0060506400000000, -0.0641491500000000 ] - [ -0.0211176400000000, -0.1935958900000000, 0.0708060200000000 ] - [ -0.0211303900000000, -0.1935580400000000, 0.0707850400000000 ] - [ 0.0210891700000000, -0.1937098700000000, -0.0708377400000000 ] - [ 0.0210936100000000, -0.1935572300000000, -0.0707228200000000 ] - [ 0.0210803500000000, 0.1936638200000000, -0.0708533600000000 ] - [ 0.0190933200000000, 0.1931834400000000, -0.0708773600000000 ] - [ -0.0209112100000000, 0.1934559400000000, 0.0707345000000000 ] - [ -0.0213278500000000, 0.1937048700000000, 0.0708886200000000 ] - [ 0.0571309600000000, -0.0163831600000000, -0.0080869900000000 ] - [ 0.0564356600000000, -0.0148804900000000, -0.0073428000000000 ] - [ -0.0568001500000000, -0.0158578800000000, 0.0082293600000000 ] - [ -0.0569691300000000, -0.0150283300000000, 0.0081043900000000 ] - [ -0.0568909400000000, 0.0156955000000000, 0.0085065500000000 ] - [ -0.0569058800000000, 0.0156511400000000, 0.0081503300000000 ] - [ 0.0568406900000000, 0.0156206600000000, -0.0081865100000000 ] - [ 0.0568477200000000, 0.0155527900000000, -0.0082070000000000 ] - [ -0.0095967500000000, 0.2020389700000000, 0.0798261200000000 ] - [ -0.0095496200000000, 0.2020253600000000, 0.0797917900000000 ] - [ 0.0094989000000000, 0.2019777100000000, -0.0797219500000000 ] - [ 0.0096603400000000, 0.2021246500000000, -0.0799058000000000 ] - [ 0.0130479500000000, -0.2027272000000000, -0.0787325600000000 ] - [ 0.0095623300000000, -0.2020012300000000, -0.0797860200000000 ] - [ -0.0091644100000000, -0.2019076900000000, 0.0796222400000000 ] - [ -0.0096680100000000, -0.2021364900000000, 0.0798306200000000 ]- atom: 1 displacement: [ -0.0000427683518374, 0.0000000000000000, 0.0099999085429858 ] forces: - [ -0.0092539800000000, 0.0089695300000000, -0.0251971800000000 ] - [ -0.0065305600000000, 0.0072328900000000, -0.0168459700000000 ] - [ -0.0065738600000000, -0.0072470200000000, -0.0165365600000000 ] - [ -0.0065814100000000, -0.0072309100000000, -0.0165714000000000 ] - [ 0.0066498600000000, -0.0071946600000000, 0.0166596000000000 ] - [ 0.0080329100000000, -0.0078581500000000, 0.0186782100000000 ] - [ 0.0065141700000000, 0.0070901200000000, 0.0168207500000000 ] - [ 0.0064608800000000, 0.0074402600000000, 0.0168209600000000 ] - [ -0.0014475600000000, -0.0002518000000000, -0.0053066800000000 ] - [ -0.0014614300000000, -0.0002902300000000, -0.0053430500000000 ] - [ 0.0015185200000000, -0.0003541800000000, 0.0052625600000000 ] - [ 0.0015282800000000, -0.0001653500000000, 0.0052763800000000 ] - [ 0.0014315500000000, 0.0002795200000000, 0.0054837300000000 ] - [ 0.0014527300000000, 0.0003072200000000, 0.0054985200000000 ] - [ -0.0015530100000000, 0.0002875700000000, -0.0054418200000000 ] - [ -0.0015551200000000, 0.0002719700000000, -0.0054552100000000 ] - [ 0.0113838900000000, -0.0067116400000000, 0.0017909300000000 ] - [ 0.0116564800000000, -0.0066828700000000, 0.0016501500000000 ] - [ -0.0119034700000000, -0.0060723000000000, -0.0017474000000000 ] - [ -0.0118508800000000, -0.0072215200000000, -0.0018321800000000 ] - [ -0.0116436700000000, 0.0066319500000000, -0.0013624800000000 ] - [ -0.0114334100000000, 0.0067464900000000, -0.0012027200000000 ] - [ 0.0119110600000000, 0.0068425000000000, 0.0014557100000000 ] - [ 0.0117126300000000, 0.0066508200000000, 0.0013874100000000 ] - [ -0.0000268000000000, -0.0040642800000000, 0.0090699500000000 ] - [ -0.0000050700000000, -0.0040680100000000, 0.0090908400000000 ] - [ -0.0000223200000000, -0.0040497900000000, -0.0090124000000000 ] - [ -0.0000477900000000, -0.0040451200000000, -0.0090616300000000 ] - [ 0.0000558900000000, 0.0040489100000000, -0.0087722700000000 ] - [ 0.0000433200000000, 0.0040485500000000, -0.0087833000000000 ] - [ -0.0002161300000000, 0.0040682900000000, 0.0085267300000000 ] - [ -0.0000322700000000, 0.0040239300000000, 0.0087646700000000 ] - [ -0.0161202300000000, -0.0334871500000000, -0.0311859200000000 ] - [ -0.0161388800000000, -0.0337330700000000, -0.0313117500000000 ] - [ -0.0208037200000000, -0.0488823100000000, -0.0057590200000000 ] - [ -0.0199911100000000, -0.0494134200000000, -0.0053480500000000 ] - [ -0.0207250700000000, 0.0490630300000000, -0.0057462100000000 ] - [ -0.0200567800000000, 0.0521224300000000, -0.0038636400000000 ] - [ 0.0168032400000000, 0.0471881400000000, 0.0074899100000000 ] - [ 0.0206187500000000, 0.0491667100000000, 0.0060292100000000 ] - [ 0.0435315400000000, -0.0189436500000000, -0.0209835200000000 ] - [ 0.0435223500000000, -0.0189772700000000, -0.0209503200000000 ] - [ -0.0435723800000000, -0.0189571600000000, 0.0209211500000000 ] - [ -0.0444575100000000, -0.0197810600000000, 0.0210071200000000 ] - [ -0.0435611500000000, 0.0188278100000000, 0.0208827800000000 ] - [ -0.0434973800000000, 0.0188553800000000, 0.0210987400000000 ] - [ 0.0438831400000000, 0.0191785300000000, -0.0208452800000000 ] - [ 0.0435296300000000, 0.0189266500000000, -0.0208130600000000 ] - [ 0.0434741000000000, -0.0186896100000000, -0.0268340600000000 ] - [ 0.0434817300000000, -0.0187977200000000, -0.0268578300000000 ] - [ -0.0436130100000000, -0.0188021500000000, 0.0269536900000000 ] - [ -0.0436407000000000, -0.0189464500000000, 0.0270362400000000 ] - [ -0.0435070600000000, 0.0188082900000000, 0.0268329900000000 ] - [ -0.0435282900000000, 0.0188813300000000, 0.0269145300000000 ] - [ 0.0435687200000000, 0.0189164800000000, -0.0264787800000000 ] - [ 0.0435479000000000, 0.0188844700000000, -0.0269105800000000 ] - [ 0.0167004800000000, -0.0339282800000000, 0.0319969100000000 ] - [ 0.0158943800000000, -0.0334089400000000, 0.0312846100000000 ] - [ -0.0157759200000000, 0.0335714000000000, -0.0314032500000000 ] - [ -0.0158112900000000, 0.0335719500000000, -0.0314443200000000 ] - [ 0.0156364900000000, 0.0344861200000000, 0.0316198300000000 ] - [ 0.0158513200000000, 0.0335468700000000, 0.0313882900000000 ] - [ 0.0208501500000000, -0.0493151400000000, 0.0058355600000000 ] - [ 0.0208306000000000, -0.0491496600000000, 0.0058698900000000 ] - [ 0.0791330200000000, 0.0157352000000000, -0.0143418300000000 ] - [ 0.0791230900000000, 0.0157286100000000, -0.0143362300000000 ] - [ 0.1315038300000000, 0.0059389100000000, 0.0082130500000000 ] - [ 0.1315025400000000, 0.0057534900000000, 0.0082518300000000 ] - [ 0.1316669600000000, -0.0057796600000000, 0.0082946700000000 ] - [ 0.1319031800000000, -0.0056276400000000, 0.0081462000000000 ] - [ -0.1315524200000000, -0.0058138400000000, -0.0083728400000000 ] - [ -0.1315128300000000, -0.0058148200000000, -0.0083474800000000 ] - [ -0.1319111200000000, 0.0056441900000000, -0.0083054900000000 ] - [ -0.1315704900000000, 0.0058140800000000, -0.0082813100000000 ] - [ -0.0792022500000000, 0.0157788400000000, 0.0143471200000000 ] - [ -0.0791323400000000, 0.0157162300000000, 0.0143664500000000 ] - [ -0.0789571900000000, -0.0158709300000000, 0.0144006700000000 ] - [ -0.0789704700000000, -0.0156018500000000, 0.0143928700000000 ] - [ 0.0790547600000000, -0.0157686400000000, -0.0144101100000000 ] - [ 0.0790494400000000, -0.0157850100000000, -0.0144656100000000 ] - [ -0.0245671000000000, -0.0062539000000000, -0.0640300600000000 ] - [ -0.0242850600000000, -0.0060683700000000, -0.0641532600000000 ] - [ 0.0244290800000000, -0.0057936700000000, 0.0639679700000000 ] - [ 0.0243281900000000, -0.0063433600000000, 0.0638609000000000 ] - [ 0.0244620200000000, 0.0059820200000000, 0.0642170800000000 ] - [ 0.0243406600000000, 0.0056909000000000, 0.0658692700000000 ] - [ -0.0245057200000000, 0.0060590000000000, -0.0642359100000000 ] - [ -0.0244749800000000, 0.0059911800000000, -0.0642098900000000 ] - [ -0.0210530000000000, -0.1935062600000000, 0.0708061100000000 ] - [ -0.0211523100000000, -0.1935242100000000, 0.0708018600000000 ] - [ 0.0212624000000000, -0.1938741100000000, -0.0710022700000000 ] - [ 0.0211433600000000, -0.1932180700000000, -0.0710809600000000 ] - [ 0.0210886500000000, 0.1936684700000000, -0.0707316700000000 ] - [ 0.0222327800000000, 0.1943405200000000, -0.0705566700000000 ] - [ -0.0209338000000000, 0.1935678400000000, 0.0708184100000000 ] - [ -0.0211786300000000, 0.1936698500000000, 0.0707835400000000 ] - [ 0.0570774000000000, -0.0159675900000000, -0.0079996900000000 ] - [ 0.0568829700000000, -0.0156516900000000, -0.0082437200000000 ] - [ -0.0567606900000000, -0.0156479500000000, 0.0078464300000000 ] - [ -0.0568401500000000, -0.0155679100000000, 0.0081931700000000 ] - [ -0.0568585100000000, 0.0151407900000000, 0.0078661400000000 ] - [ -0.0570468600000000, 0.0157311500000000, 0.0081322900000000 ] - [ 0.0568253900000000, 0.0155008300000000, -0.0082977000000000 ] - [ 0.0566877000000000, 0.0156247300000000, -0.0085517400000000 ] - [ -0.0096222000000000, 0.2020310200000000, 0.0798135100000000 ] - [ -0.0094963400000000, 0.2020460500000000, 0.0797984100000000 ] - [ 0.0094880800000000, 0.2020074200000000, -0.0797510600000000 ] - [ 0.0097681300000000, 0.2021848900000000, -0.0800525500000000 ] - [ 0.0129558600000000, -0.2039611800000000, -0.0794873100000000 ] - [ 0.0095733500000000, -0.2021129300000000, -0.0797861800000000 ] - [ -0.0095947400000000, -0.2020047300000000, 0.0798619700000000 ] - [ -0.0094411400000000, -0.2020031200000000, 0.0797908900000000 ]- atom: 1 displacement: [ 0.0000427683518374, 0.0000000000000000, -0.0099999085429858 ] forces: - [ -0.0039043900000000, 0.0055260900000000, -0.0082857500000000 ] - [ -0.0066568600000000, 0.0072150100000000, -0.0166622200000000 ] - [ -0.0066136700000000, -0.0072039800000000, -0.0169688000000000 ] - [ -0.0066060600000000, -0.0072196100000000, -0.0169357100000000 ] - [ 0.0065378600000000, -0.0072534900000000, 0.0168455600000000 ] - [ 0.0051749600000000, -0.0066017100000000, 0.0148513000000000 ] - [ 0.0066732300000000, 0.0073628600000000, 0.0166837100000000 ] - [ 0.0067268300000000, 0.0070086600000000, 0.0166862800000000 ] - [ -0.0015449000000000, -0.0002983000000000, -0.0054667500000000 ] - [ -0.0015312600000000, -0.0002599300000000, -0.0054305900000000 ] - [ 0.0014742900000000, -0.0001961600000000, 0.0055091400000000 ] - [ 0.0014650500000000, -0.0003849600000000, 0.0054954300000000 ] - [ 0.0015617200000000, 0.0002713100000000, 0.0052891100000000 ] - [ 0.0015401600000000, 0.0002423600000000, 0.0052748600000000 ] - [ -0.0014405400000000, 0.0002634300000000, -0.0053320600000000 ] - [ -0.0014380400000000, 0.0002791900000000, -0.0053185400000000 ] - [ 0.0119450500000000, -0.0066452500000000, 0.0013098900000000 ] - [ 0.0116714300000000, -0.0066745700000000, 0.0014513000000000 ] - [ -0.0114241600000000, -0.0072842600000000, -0.0013588700000000 ] - [ -0.0114770000000000, -0.0061349100000000, -0.0012730200000000 ] - [ -0.0116844000000000, 0.0067252600000000, -0.0017390100000000 ] - [ -0.0118954200000000, 0.0066105000000000, -0.0018991900000000 ] - [ 0.0114185000000000, 0.0065151700000000, 0.0016436900000000 ] - [ 0.0116158100000000, 0.0067056500000000, 0.0017128900000000 ] - [ -0.0000264000000000, -0.0040361600000000, 0.0087286900000000 ] - [ -0.0000476000000000, -0.0040328900000000, 0.0087073700000000 ] - [ 0.0000748900000000, -0.0040524700000000, -0.0087870100000000 ] - [ 0.0001008200000000, -0.0040568800000000, -0.0087383600000000 ] - [ -0.0000024900000000, 0.0040514100000000, -0.0090260000000000 ] - [ 0.0000102000000000, 0.0040515700000000, -0.0090150500000000 ] - [ 0.0001631600000000, 0.0040351800000000, 0.0092696900000000 ] - [ -0.0000203200000000, 0.0040786300000000, 0.0090322200000000 ] - [ -0.0156326100000000, -0.0337076700000000, -0.0315907600000000 ] - [ -0.0156127400000000, -0.0334598900000000, -0.0314611100000000 ] - [ -0.0205572100000000, -0.0494088800000000, -0.0057923700000000 ] - [ -0.0213715700000000, -0.0488805800000000, -0.0061998800000000 ] - [ -0.0206311000000000, 0.0492315500000000, -0.0058047100000000 ] - [ -0.0213168600000000, 0.0461257700000000, -0.0077098500000000 ] - [ 0.0246073300000000, 0.0511333500000000, 0.0040465400000000 ] - [ 0.0207396400000000, 0.0491284500000000, 0.0055213800000000 ] - [ 0.0436489300000000, -0.0189141900000000, -0.0209214700000000 ] - [ 0.0436582400000000, -0.0188808000000000, -0.0209548500000000 ] - [ -0.0436080000000000, -0.0189001500000000, 0.0209830500000000 ] - [ -0.0427220500000000, -0.0180781300000000, 0.0209019300000000 ] - [ -0.0436201200000000, 0.0190293200000000, 0.0210217900000000 ] - [ -0.0436849500000000, 0.0190026400000000, 0.0208079700000000 ] - [ 0.0432972900000000, 0.0186755300000000, -0.0210563700000000 ] - [ 0.0436507900000000, 0.0189309500000000, -0.0210919500000000 ] - [ 0.0436081800000000, -0.0189654100000000, -0.0269520100000000 ] - [ 0.0436012500000000, -0.0188568800000000, -0.0269275200000000 ] - [ -0.0434696200000000, -0.0188525500000000, 0.0268317200000000 ] - [ -0.0434419300000000, -0.0187095200000000, 0.0267492900000000 ] - [ -0.0435754400000000, 0.0188468800000000, 0.0269518100000000 ] - [ -0.0435539800000000, 0.0187742700000000, 0.0268707300000000 ] - [ 0.0435171700000000, 0.0187388800000000, -0.0273052700000000 ] - [ 0.0435340600000000, 0.0187715100000000, -0.0268752000000000 ] - [ 0.0150429200000000, -0.0332632500000000, 0.0307725900000000 ] - [ 0.0158580600000000, -0.0337855900000000, 0.0314891500000000 ] - [ -0.0159742600000000, 0.0336234000000000, -0.0313713600000000 ] - [ -0.0159392200000000, 0.0336222000000000, -0.0313303100000000 ] - [ 0.0161114800000000, 0.0327123600000000, 0.0311568000000000 ] - [ 0.0158993300000000, 0.0336475800000000, 0.0313858000000000 ] - [ 0.0205103000000000, -0.0489796500000000, 0.0057156900000000 ] - [ 0.0205295500000000, -0.0491441700000000, 0.0056810000000000 ] - [ 0.0789749100000000, 0.0157980800000000, -0.0143882300000000 ] - [ 0.0789844400000000, 0.0158034600000000, -0.0143938800000000 ] - [ 0.1316560200000000, 0.0056618300000000, 0.0084189300000000 ] - [ 0.1316574300000000, 0.0058446300000000, 0.0083792800000000 ] - [ 0.1314940500000000, -0.0058202200000000, 0.0083374300000000 ] - [ 0.1312590800000000, -0.0059713600000000, 0.0084859300000000 ] - [ -0.1316083500000000, -0.0057858700000000, -0.0082616000000000 ] - [ -0.1316480100000000, -0.0057849000000000, -0.0082868200000000 ] - [ -0.1312486000000000, 0.0059562100000000, -0.0083296900000000 ] - [ -0.1315901700000000, 0.0057859300000000, -0.0083530800000000 ] - [ -0.0789022400000000, 0.0157522400000000, 0.0143798400000000 ] - [ -0.0789735000000000, 0.0158158600000000, 0.0143628500000000 ] - [ -0.0791490200000000, -0.0156622200000000, 0.0143280900000000 ] - [ -0.0791359700000000, -0.0159291000000000, 0.0143354200000000 ] - [ 0.0790522200000000, -0.0157632900000000, -0.0143212500000000 ] - [ 0.0790572900000000, -0.0157468600000000, -0.0142657900000000 ] - [ -0.0244146000000000, -0.0057912500000000, -0.0642528600000000 ] - [ -0.0246647800000000, -0.0059791200000000, -0.0641214500000000 ] - [ 0.0245224300000000, -0.0062551300000000, 0.0643062500000000 ] - [ 0.0246227000000000, -0.0057021000000000, 0.0644126500000000 ] - [ 0.0244886900000000, 0.0060649100000000, 0.0640581100000000 ] - [ 0.0245614500000000, 0.0063205400000000, 0.0624981900000000 ] - [ -0.0244450400000000, 0.0059879400000000, -0.0640403400000000 ] - [ -0.0244756300000000, 0.0060563500000000, -0.0640660200000000 ] - [ -0.0211896900000000, -0.1936394500000000, 0.0707775600000000 ] - [ -0.0210903800000000, -0.1936216200000000, 0.0707820200000000 ] - [ 0.0209805400000000, -0.1932716200000000, -0.0705835400000000 ] - [ 0.0210987000000000, -0.1939278000000000, -0.0705048900000000 ] - [ 0.0211535900000000, 0.1934777200000000, -0.0708532100000000 ] - [ 0.0200114300000000, 0.1928038400000000, -0.0710295500000000 ] - [ -0.0213090400000000, 0.1935776200000000, 0.0707640900000000 ] - [ -0.0210630600000000, 0.1934754100000000, 0.0707996800000000 ] - [ 0.0566551900000000, -0.0151402300000000, -0.0083890700000000 ] - [ 0.0568508100000000, -0.0154560200000000, -0.0081480400000000 ] - [ -0.0569653600000000, -0.0154615200000000, 0.0085059800000000 ] - [ -0.0568927800000000, -0.0155395400000000, 0.0081936100000000 ] - [ -0.0568723700000000, 0.0159634100000000, 0.0085188400000000 ] - [ -0.0566861100000000, 0.0153784900000000, 0.0082549000000000 ] - [ 0.0569068700000000, 0.0156063600000000, -0.0080927100000000 ] - [ 0.0570441600000000, 0.0154831900000000, -0.0078382000000000 ] - [ -0.0095538800000000, 0.2020284100000000, 0.0797942400000000 ] - [ -0.0096795600000000, 0.2020132900000000, 0.0798094200000000 ] - [ 0.0096888100000000, 0.2020511100000000, -0.0798585100000000 ] - [ 0.0094080300000000, 0.2018738800000000, -0.0795561600000000 ] - [ 0.0061978700000000, -0.2000894300000000, -0.0801042600000000 ] - [ 0.0096023200000000, -0.2019462000000000, -0.0798224100000000 ] - [ -0.0095795200000000, -0.2020536900000000, 0.0797452300000000 ] - [ -0.0097346800000000, -0.2020562800000000, 0.0798166000000000 ]- atom: 9 displacement: [ 0.0099999992956673, 0.0000000000000000, 0.0000037532191477 ] forces: - [ -0.0064239500000000, 0.0072094600000000, -0.0167053200000000 ] - [ -0.0064887700000000, 0.0072503700000000, -0.0167195200000000 ] - [ -0.0065251600000000, -0.0072216800000000, -0.0168092500000000 ] - [ -0.0065454200000000, -0.0072470400000000, -0.0168129100000000 ] - [ 0.0066384900000000, -0.0071892500000000, 0.0166900800000000 ] - [ 0.0066782700000000, -0.0072254300000000, 0.0167106800000000 ] - [ 0.0067973000000000, 0.0071897100000000, 0.0167857000000000 ] - [ 0.0068023400000000, 0.0072339600000000, 0.0167772800000000 ] - [ -0.0139799600000000, -0.0015493400000000, -0.0079685800000000 ] - [ -0.0016893600000000, -0.0002710800000000, -0.0053890800000000 ] - [ 0.0014416600000000, -0.0002060700000000, 0.0055018600000000 ] - [ 0.0014418300000000, -0.0003021400000000, 0.0054879100000000 ] - [ 0.0014512200000000, 0.0002861100000000, 0.0053420400000000 ] - [ 0.0014494600000000, 0.0001409800000000, 0.0047232600000000 ] - [ -0.0015396900000000, 0.0002831300000000, -0.0054024300000000 ] - [ -0.0015255800000000, 0.0003003700000000, -0.0053845900000000 ] - [ 0.0125321200000000, -0.0066823100000000, 0.0018535900000000 ] - [ 0.0117415600000000, -0.0066842000000000, 0.0016246800000000 ] - [ -0.0115829300000000, -0.0066130900000000, -0.0014967700000000 ] - [ -0.0115902300000000, -0.0067345700000000, -0.0015106600000000 ] - [ -0.0116225900000000, 0.0067125600000000, -0.0016018500000000 ] - [ -0.0114039300000000, 0.0065629100000000, -0.0017821900000000 ] - [ 0.0116710100000000, 0.0066364000000000, 0.0015567500000000 ] - [ 0.0116619200000000, 0.0066575400000000, 0.0015473600000000 ] - [ 0.0000495100000000, -0.0037228800000000, 0.0086675400000000 ] - [ -0.0000457500000000, -0.0041476100000000, 0.0087854300000000 ] - [ -0.0000157700000000, -0.0040622300000000, -0.0088924500000000 ] - [ -0.0000807800000000, -0.0040982400000000, -0.0087672700000000 ] - [ -0.0002704400000000, 0.0036791600000000, -0.0086918500000000 ] - [ -0.0001981600000000, 0.0043702800000000, -0.0087562000000000 ] - [ -0.0000750400000000, 0.0040282900000000, 0.0089888100000000 ] - [ -0.0000613700000000, 0.0040501000000000, 0.0089270700000000 ] - [ -0.0157640600000000, -0.0333699800000000, -0.0317510600000000 ] - [ -0.0157978700000000, -0.0336547000000000, -0.0319019700000000 ] - [ -0.0206193700000000, -0.0491643800000000, -0.0057760600000000 ] - [ -0.0205737000000000, -0.0491844500000000, -0.0057806500000000 ] - [ -0.0205663700000000, 0.0491453400000000, -0.0055492900000000 ] - [ -0.0205004300000000, 0.0490480200000000, -0.0056642000000000 ] - [ 0.0211799500000000, 0.0496792200000000, 0.0058334400000000 ] - [ 0.0209674900000000, 0.0490666300000000, 0.0058568000000000 ] - [ 0.0436360300000000, -0.0193041300000000, -0.0208642500000000 ] - [ 0.0435709600000000, -0.0189642800000000, -0.0209624700000000 ] - [ -0.0436194000000000, -0.0188528000000000, 0.0209163500000000 ] - [ -0.0436957500000000, -0.0188589400000000, 0.0208788700000000 ] - [ -0.0434045600000000, 0.0189714100000000, 0.0209899700000000 ] - [ -0.0431946500000000, 0.0177942600000000, 0.0214241900000000 ] - [ 0.0430722500000000, 0.0192232800000000, -0.0218058000000000 ] - [ 0.0433149700000000, 0.0188285300000000, -0.0211392600000000 ] - [ 0.0434305200000000, -0.0189178600000000, -0.0269059600000000 ] - [ 0.0434542200000000, -0.0188589100000000, -0.0268404800000000 ] - [ -0.0435568000000000, -0.0187558900000000, 0.0269312700000000 ] - [ -0.0437893900000000, -0.0185470100000000, 0.0271166600000000 ] - [ -0.0442381500000000, 0.0188019000000000, 0.0269020300000000 ] - [ -0.0449174200000000, 0.0190355600000000, 0.0262298000000000 ] - [ 0.0469145900000000, 0.0213655300000000, -0.0230408700000000 ] - [ 0.0437429400000000, 0.0185179700000000, -0.0267565800000000 ] - [ 0.0166917000000000, -0.0327501200000000, 0.0321926600000000 ] - [ 0.0159288000000000, -0.0337518100000000, 0.0314686400000000 ] - [ -0.0158806800000000, 0.0335255600000000, -0.0313824100000000 ] - [ -0.0156564400000000, 0.0334953600000000, -0.0314348000000000 ] - [ 0.0159608900000000, 0.0335931800000000, 0.0312843200000000 ] - [ 0.0159308000000000, 0.0336267600000000, 0.0313633000000000 ] - [ 0.0207751000000000, -0.0490923900000000, 0.0057725600000000 ] - [ 0.0207263600000000, -0.0491228700000000, 0.0058030900000000 ] - [ 0.0793210700000000, 0.0158543900000000, -0.0141176600000000 ] - [ 0.0793485200000000, 0.0157902900000000, -0.0141413200000000 ] - [ 0.1317312800000000, 0.0054991200000000, 0.0080525600000000 ] - [ 0.1317112700000000, 0.0060215500000000, 0.0080680700000000 ] - [ 0.1316416900000000, -0.0058362500000000, 0.0082928500000000 ] - [ 0.1317428900000000, -0.0058119500000000, 0.0081474000000000 ] - [ -0.1314644600000000, -0.0057987200000000, -0.0082593400000000 ] - [ -0.1314315600000000, -0.0058594200000000, -0.0083202000000000 ] - [ -0.1309528100000000, 0.0057335100000000, -0.0079158600000000 ] - [ -0.1313064700000000, 0.0057987900000000, -0.0083326500000000 ] - [ -0.0762811200000000, 0.0156574900000000, 0.0128673400000000 ] - [ -0.0791868900000000, 0.0157539000000000, 0.0143691800000000 ] - [ -0.0789760800000000, -0.0157964600000000, 0.0143744500000000 ] - [ -0.0789990100000000, -0.0157379700000000, 0.0143902400000000 ] - [ 0.0790884500000000, -0.0157591700000000, -0.0143405400000000 ] - [ 0.0803692800000000, -0.0152239600000000, -0.0119734000000000 ] - [ -0.0245683000000000, -0.0060509800000000, -0.0639469500000000 ] - [ -0.0246419700000000, -0.0058873500000000, -0.0637632300000000 ] - [ 0.0242634800000000, -0.0063080900000000, 0.0639657400000000 ] - [ 0.0242521200000000, -0.0058401600000000, 0.0641180500000000 ] - [ 0.0244218500000000, 0.0060284700000000, 0.0641709100000000 ] - [ 0.0244260100000000, 0.0060780200000000, 0.0640986800000000 ] - [ -0.0245290000000000, 0.0060457100000000, -0.0642080200000000 ] - [ -0.0245242400000000, 0.0059815200000000, -0.0641803800000000 ] - [ -0.0212014200000000, -0.1935125100000000, 0.0707378400000000 ] - [ -0.0211060000000000, -0.1935469700000000, 0.0708346800000000 ] - [ 0.0210960400000000, -0.1935659700000000, -0.0707532100000000 ] - [ 0.0210802200000000, -0.1935099700000000, -0.0707299500000000 ] - [ 0.0209995100000000, 0.1935331400000000, -0.0708469800000000 ] - [ 0.0210104500000000, 0.1936052200000000, -0.0709904000000000 ] - [ -0.0178253800000000, 0.1911001600000000, 0.0694696800000000 ] - [ -0.0214259300000000, 0.1938037800000000, 0.0710766300000000 ] - [ 0.0564919500000000, -0.0154575700000000, -0.0080046500000000 ] - [ 0.0565010100000000, -0.0156379900000000, -0.0080989400000000 ] - [ -0.0575745700000000, -0.0157990000000000, 0.0079034000000000 ] - [ -0.0571244800000000, -0.0155957500000000, 0.0080671500000000 ] - [ -0.0569925800000000, 0.0155245000000000, 0.0082165700000000 ] - [ -0.0569520300000000, 0.0155302600000000, 0.0081913100000000 ] - [ 0.0568067400000000, 0.0155561600000000, -0.0082018400000000 ] - [ 0.0567630100000000, 0.0155715100000000, -0.0081703900000000 ] - [ -0.0095891100000000, 0.2020149100000000, 0.0798306800000000 ] - [ -0.0097282000000000, 0.2019767700000000, 0.0795707100000000 ] - [ 0.0095484000000000, 0.2020148200000000, -0.0796195400000000 ] - [ 0.0096061700000000, 0.2020144300000000, -0.0797794700000000 ] - [ 0.0093018000000000, -0.2020783600000000, -0.0802859700000000 ] - [ 0.0095396100000000, -0.2019772800000000, -0.0798869500000000 ] - [ -0.0096909300000000, -0.2021640100000000, 0.0801747900000000 ] - [ -0.0072046100000000, -0.2009347300000000, 0.0791919300000000 ]- atom: 9 displacement: [ -0.0099999992956673, 0.0000000000000000, -0.0000037532191477 ] forces: - [ -0.0067628600000000, 0.0072397600000000, -0.0168013600000000 ] - [ -0.0066988200000000, 0.0071977900000000, -0.0167882700000000 ] - [ -0.0066622900000000, -0.0072291000000000, -0.0166965400000000 ] - [ -0.0066414300000000, -0.0072035300000000, -0.0166937100000000 ] - [ 0.0065486200000000, -0.0072587600000000, 0.0168175300000000 ] - [ 0.0065093000000000, -0.0072234200000000, 0.0167947900000000 ] - [ 0.0063893200000000, 0.0072613100000000, 0.0167203200000000 ] - [ 0.0063844200000000, 0.0072170000000000, 0.0167299700000000 ] - [ 0.0109094600000000, 0.0008729000000000, -0.0028586700000000 ] - [ -0.0013019600000000, -0.0002785700000000, -0.0053850200000000 ] - [ 0.0015500200000000, -0.0003441900000000, 0.0052714600000000 ] - [ 0.0015500300000000, -0.0002471900000000, 0.0052853300000000 ] - [ 0.0015403300000000, 0.0002645300000000, 0.0054314400000000 ] - [ 0.0015414200000000, 0.0004087300000000, 0.0060459600000000 ] - [ -0.0014523600000000, 0.0002671400000000, -0.0053706600000000 ] - [ -0.0014664500000000, 0.0002510600000000, -0.0053883500000000 ] - [ 0.0107819400000000, -0.0066743200000000, 0.0012409900000000 ] - [ 0.0115863200000000, -0.0066733000000000, 0.0014760000000000 ] - [ -0.0117450800000000, -0.0067433900000000, -0.0016046800000000 ] - [ -0.0117380500000000, -0.0066222500000000, -0.0015907700000000 ] - [ -0.0117057500000000, 0.0066455100000000, -0.0014991400000000 ] - [ -0.0119236300000000, 0.0067958400000000, -0.0013183200000000 ] - [ 0.0116569500000000, 0.0067206400000000, 0.0015447300000000 ] - [ 0.0116666400000000, 0.0067004500000000, 0.0015545400000000 ] - [ -0.0001020600000000, -0.0043750900000000, 0.0091299200000000 ] - [ -0.0000076300000000, -0.0039533100000000, 0.0090127800000000 ] - [ 0.0000684000000000, -0.0040396500000000, -0.0089056800000000 ] - [ 0.0001331200000000, -0.0040037700000000, -0.0090307200000000 ] - [ 0.0003258600000000, 0.0044180800000000, -0.0091058100000000 ] - [ 0.0002533300000000, 0.0037331100000000, -0.0090418200000000 ] - [ 0.0000211200000000, 0.0040751600000000, 0.0088092900000000 ] - [ 0.0000089600000000, 0.0040526100000000, 0.0088713300000000 ] - [ -0.0159889000000000, -0.0338248200000000, -0.0310222000000000 ] - [ -0.0159553900000000, -0.0335392200000000, -0.0308745100000000 ] - [ -0.0207398300000000, -0.0491291500000000, -0.0057750600000000 ] - [ -0.0207849700000000, -0.0491089000000000, -0.0057702600000000 ] - [ -0.0207928800000000, 0.0491483900000000, -0.0060013300000000 ] - [ -0.0208579200000000, 0.0492474300000000, -0.0058870000000000 ] - [ 0.0201798200000000, 0.0486175000000000, 0.0057152100000000 ] - [ 0.0203907900000000, 0.0492276700000000, 0.0056947400000000 ] - [ 0.0435439600000000, -0.0185561100000000, -0.0210397900000000 ] - [ 0.0436091600000000, -0.0188926800000000, -0.0209419000000000 ] - [ -0.0435609500000000, -0.0190046300000000, 0.0209882000000000 ] - [ -0.0434851300000000, -0.0189981600000000, 0.0210257100000000 ] - [ -0.0437772700000000, 0.0188859400000000, 0.0209157400000000 ] - [ -0.0439821000000000, 0.0200570600000000, 0.0204843300000000 ] - [ 0.0441091200000000, 0.0186335900000000, -0.0200980200000000 ] - [ 0.0438648400000000, 0.0190307900000000, -0.0207637600000000 ] - [ 0.0436515600000000, -0.0187367800000000, -0.0268795300000000 ] - [ 0.0436281400000000, -0.0187956600000000, -0.0269450500000000 ] - [ -0.0435256600000000, -0.0188991200000000, 0.0268542900000000 ] - [ -0.0432968900000000, -0.0191076000000000, 0.0266699200000000 ] - [ -0.0428444400000000, 0.0188522200000000, 0.0268844600000000 ] - [ -0.0421618300000000, 0.0186319600000000, 0.0275426200000000 ] - [ 0.0402215700000000, 0.0163318600000000, -0.0306822400000000 ] - [ 0.0433418300000000, 0.0191393000000000, -0.0270298100000000 ] - [ 0.0150629100000000, -0.0344480900000000, 0.0305775100000000 ] - [ 0.0158214800000000, -0.0334429400000000, 0.0313056900000000 ] - [ -0.0158708000000000, 0.0336687600000000, -0.0313914900000000 ] - [ -0.0160908300000000, 0.0337014500000000, -0.0313410700000000 ] - [ 0.0157901400000000, 0.0336016000000000, 0.0314891600000000 ] - [ 0.0158203400000000, 0.0335680300000000, 0.0314108300000000 ] - [ 0.0205842000000000, -0.0492016000000000, 0.0057785500000000 ] - [ 0.0206323800000000, -0.0491707900000000, 0.0057483100000000 ] - [ 0.0787857400000000, 0.0156778000000000, -0.0146135900000000 ] - [ 0.0787573900000000, 0.0157420300000000, -0.0145901800000000 ] - [ 0.1314328000000000, 0.0061022500000000, 0.0085798900000000 ] - [ 0.1314489500000000, 0.0055752100000000, 0.0085673900000000 ] - [ 0.1315191000000000, -0.0057632400000000, 0.0083408200000000 ] - [ 0.1314177400000000, -0.0057874800000000, 0.0084875700000000 ] - [ -0.1316961400000000, -0.0058004900000000, -0.0083749300000000 ] - [ -0.1317293300000000, -0.0057398900000000, -0.0083135000000000 ] - [ -0.1322081700000000, 0.0058664300000000, -0.0087216100000000 ] - [ -0.1318559800000000, 0.0058011400000000, -0.0083022800000000 ] - [ -0.0816613400000000, 0.0158903800000000, 0.0158420100000000 ] - [ -0.0789204100000000, 0.0157781900000000, 0.0143615700000000 ] - [ -0.0791303800000000, -0.0157353600000000, 0.0143556000000000 ] - [ -0.0791081700000000, -0.0157937300000000, 0.0143396300000000 ] - [ 0.0790181500000000, -0.0157725100000000, -0.0143901300000000 ] - [ 0.0777433600000000, -0.0163108800000000, -0.0167727800000000 ] - [ -0.0243810000000000, -0.0059960200000000, -0.0643275600000000 ] - [ -0.0243072000000000, -0.0061591600000000, -0.0645127000000000 ] - [ 0.0246867600000000, -0.0057391300000000, 0.0643091700000000 ] - [ 0.0246965800000000, -0.0062060700000000, 0.0641567200000000 ] - [ 0.0245282000000000, 0.0060195400000000, 0.0641047300000000 ] - [ 0.0245232500000000, 0.0059700200000000, 0.0641762700000000 ] - [ -0.0244217500000000, 0.0060030000000000, -0.0640671700000000 ] - [ -0.0244265200000000, 0.0060659000000000, -0.0640947400000000 ] - [ -0.0210416400000000, -0.1936336800000000, 0.0708453300000000 ] - [ -0.0211365300000000, -0.1935987900000000, 0.0707494900000000 ] - [ 0.0211458400000000, -0.1935796100000000, -0.0708311600000000 ] - [ 0.0211616000000000, -0.1936353800000000, -0.0708541300000000 ] - [ 0.0212436000000000, 0.1936139400000000, -0.0707377300000000 ] - [ 0.0212310000000000, 0.1935414400000000, -0.0705961600000000 ] - [ -0.0244925600000000, 0.1961260300000000, 0.0721493000000000 ] - [ -0.0208182700000000, 0.1933427700000000, 0.0705055000000000 ] - [ 0.0572394500000000, -0.0156486500000000, -0.0083835600000000 ] - [ 0.0572304600000000, -0.0154707300000000, -0.0082898500000000 ] - [ -0.0561585900000000, -0.0153076800000000, 0.0084877600000000 ] - [ -0.0566090100000000, -0.0155112000000000, 0.0083214700000000 ] - [ -0.0567403800000000, 0.0155838200000000, 0.0081731500000000 ] - [ -0.0567808500000000, 0.0155779100000000, 0.0081981300000000 ] - [ 0.0569250700000000, 0.0155520100000000, -0.0081875900000000 ] - [ 0.0569683300000000, 0.0155364200000000, -0.0082193500000000 ] - [ -0.0095868900000000, 0.2020453700000000, 0.0797775600000000 ] - [ -0.0094493700000000, 0.2020828900000000, 0.0800339100000000 ] - [ 0.0096268400000000, 0.2020451700000000, -0.0799871900000000 ] - [ 0.0095697100000000, 0.2020455700000000, -0.0798287100000000 ] - [ 0.0098730400000000, -0.2019805900000000, -0.0793256100000000 ] - [ 0.0096362600000000, -0.2020821100000000, -0.0797206000000000 ] - [ -0.0094871400000000, -0.2018951400000000, 0.0794331600000000 ] - [ -0.0120152300000000, -0.2031768300000000, 0.0804475700000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0066148900000000, 0.0071468000000000, -0.0167298600000000 ] - [ -0.0065829100000000, 0.0073501300000000, -0.0167684000000000 ] - [ -0.0065952700000000, -0.0072367400000000, -0.0167653500000000 ] - [ -0.0065792500000000, -0.0072183400000000, -0.0167496600000000 ] - [ 0.0066029200000000, -0.0072029400000000, 0.0167577000000000 ] - [ 0.0065971700000000, -0.0072259600000000, 0.0167853300000000 ] - [ 0.0064934500000000, 0.0073030300000000, 0.0166428100000000 ] - [ 0.0067401400000000, 0.0072655800000000, 0.0168331800000000 ] - [ -0.0026613500000000, -0.0067618400000000, -0.0061158000000000 ] - [ -0.0014926500000000, -0.0000437300000000, -0.0053805600000000 ] - [ 0.0015228100000000, -0.0003139400000000, 0.0055753400000000 ] - [ 0.0014268600000000, -0.0003128800000000, 0.0052086700000000 ] - [ 0.0015067000000000, 0.0003028400000000, 0.0053803900000000 ] - [ 0.0013613900000000, 0.0001517400000000, 0.0055031400000000 ] - [ -0.0015042000000000, 0.0002419100000000, -0.0053782300000000 ] - [ -0.0015208400000000, 0.0002918900000000, -0.0054342600000000 ] - [ 0.0116474500000000, -0.0069585000000000, 0.0014635500000000 ] - [ 0.0116642000000000, -0.0065984700000000, 0.0015607400000000 ] - [ -0.0117399000000000, -0.0066869800000000, -0.0015104000000000 ] - [ -0.0116079100000000, -0.0067058800000000, -0.0015671800000000 ] - [ -0.0116759900000000, 0.0066914000000000, -0.0015466000000000 ] - [ -0.0116373500000000, 0.0066776500000000, -0.0015880500000000 ] - [ 0.0116827800000000, 0.0066270700000000, 0.0016087900000000 ] - [ 0.0117017800000000, 0.0067229400000000, 0.0015090400000000 ] - [ 0.0002364700000000, -0.0039832400000000, 0.0087015700000000 ] - [ -0.0001589600000000, -0.0039831300000000, 0.0090221400000000 ] - [ 0.0000270700000000, -0.0039876100000000, -0.0089051400000000 ] - [ 0.0000181100000000, -0.0040843800000000, -0.0088641100000000 ] - [ -0.0004473500000000, 0.0053730600000000, -0.0095979300000000 ] - [ 0.0004135900000000, 0.0051308000000000, -0.0082552200000000 ] - [ -0.0000448300000000, 0.0040866700000000, 0.0089140500000000 ] - [ -0.0000355100000000, 0.0040662400000000, 0.0088916500000000 ] - [ -0.0158481100000000, -0.0334029700000000, -0.0310860600000000 ] - [ -0.0158258100000000, -0.0339059600000000, -0.0321093100000000 ] - [ -0.0206672100000000, -0.0491317700000000, -0.0057792000000000 ] - [ -0.0206593700000000, -0.0491288200000000, -0.0057499800000000 ] - [ -0.0207375400000000, 0.0492484200000000, -0.0059865100000000 ] - [ -0.0205595200000000, 0.0490083900000000, -0.0056248200000000 ] - [ 0.0202300100000000, 0.0484853200000000, 0.0061474000000000 ] - [ 0.0208083900000000, 0.0492915500000000, 0.0056262700000000 ] - [ 0.0435004600000000, -0.0193920100000000, -0.0210738600000000 ] - [ 0.0435781700000000, -0.0188466000000000, -0.0209672500000000 ] - [ -0.0435997100000000, -0.0189247900000000, 0.0209470100000000 ] - [ -0.0436144400000000, -0.0189184700000000, 0.0209384600000000 ] - [ -0.0427016000000000, 0.0192842800000000, 0.0205325000000000 ] - [ -0.0443042600000000, 0.0184779500000000, 0.0209638600000000 ] - [ 0.0437292200000000, 0.0186694800000000, -0.0200799500000000 ] - [ 0.0435722400000000, 0.0190827700000000, -0.0211431000000000 ] - [ 0.0436119700000000, -0.0189244200000000, -0.0268989400000000 ] - [ 0.0435007700000000, -0.0187782000000000, -0.0268836700000000 ] - [ -0.0435476400000000, -0.0187441500000000, 0.0269246000000000 ] - [ -0.0435412600000000, -0.0186147400000000, 0.0269327400000000 ] - [ -0.0438187700000000, 0.0191909100000000, 0.0273043900000000 ] - [ -0.0433598800000000, 0.0206098400000000, 0.0233085900000000 ] - [ 0.0460831000000000, 0.0185080100000000, -0.0250412800000000 ] - [ 0.0433278800000000, 0.0198447900000000, -0.0270415800000000 ] - [ 0.0158219900000000, -0.0334776500000000, 0.0312794800000000 ] - [ 0.0158494600000000, -0.0336477700000000, 0.0314778200000000 ] - [ -0.0159181000000000, 0.0335914600000000, -0.0313500900000000 ] - [ -0.0158147300000000, 0.0338547800000000, -0.0313481000000000 ] - [ 0.0158740200000000, 0.0335643400000000, 0.0313900300000000 ] - [ 0.0158776400000000, 0.0336495200000000, 0.0313790500000000 ] - [ 0.0207269400000000, -0.0492380900000000, 0.0057605000000000 ] - [ 0.0206931200000000, -0.0491074000000000, 0.0058016400000000 ] - [ 0.0790183400000000, 0.0156454900000000, -0.0146511000000000 ] - [ 0.0790075700000000, 0.0156936800000000, -0.0139739100000000 ] - [ 0.1306817600000000, 0.0055643000000000, 0.0080127600000000 ] - [ 0.1320491100000000, 0.0052975400000000, 0.0089497500000000 ] - [ 0.1315958400000000, -0.0058294200000000, 0.0083156000000000 ] - [ 0.1316238400000000, -0.0057978500000000, 0.0082613600000000 ] - [ -0.1315837600000000, -0.0058082800000000, -0.0081052100000000 ] - [ -0.1315858700000000, -0.0058618400000000, -0.0083932700000000 ] - [ -0.1315654100000000, 0.0060314200000000, -0.0083026000000000 ] - [ -0.1315687600000000, 0.0053397800000000, -0.0083469100000000 ] - [ -0.0788595700000000, 0.0158305900000000, 0.0144187700000000 ] - [ -0.0791191500000000, 0.0153516500000000, 0.0143775000000000 ] - [ -0.0790818700000000, -0.0157240700000000, 0.0143856200000000 ] - [ -0.0790172800000000, -0.0157758000000000, 0.0143697200000000 ] - [ 0.0790638200000000, -0.0158337400000000, -0.0143498600000000 ] - [ 0.0795051400000000, -0.0154015800000000, -0.0128463100000000 ] - [ -0.0244016900000000, -0.0057100100000000, -0.0643287000000000 ] - [ -0.0245167400000000, -0.0062396500000000, -0.0641597800000000 ] - [ 0.0243666700000000, -0.0060351800000000, 0.0642835300000000 ] - [ 0.0245858000000000, -0.0058983200000000, 0.0640827900000000 ] - [ 0.0244670300000000, 0.0059954000000000, 0.0641219100000000 ] - [ 0.0244900900000000, 0.0060446600000000, 0.0640989100000000 ] - [ -0.0245308700000000, 0.0061202700000000, -0.0640056400000000 ] - [ -0.0244598800000000, 0.0059771900000000, -0.0641919400000000 ] - [ -0.0212349300000000, -0.1935234100000000, 0.0705067500000000 ] - [ -0.0211267600000000, -0.1936549500000000, 0.0708271700000000 ] - [ 0.0211269700000000, -0.1935840000000000, -0.0707734400000000 ] - [ 0.0211242500000000, -0.1935809000000000, -0.0707979100000000 ] - [ 0.0210633100000000, 0.1932503700000000, -0.0707628000000000 ] - [ 0.0210827800000000, 0.1937166600000000, -0.0708750800000000 ] - [ -0.0234198400000000, 0.1960159900000000, 0.0712733400000000 ] - [ -0.0214311600000000, 0.1935787600000000, 0.0710614200000000 ] - [ 0.0571860700000000, -0.0157515000000000, -0.0085267700000000 ] - [ 0.0565237400000000, -0.0156813600000000, -0.0079329500000000 ] - [ -0.0568224800000000, -0.0153435100000000, 0.0081215600000000 ] - [ -0.0568896600000000, -0.0156175700000000, 0.0082537800000000 ] - [ -0.0568661800000000, 0.0155823000000000, 0.0081767200000000 ] - [ -0.0568700100000000, 0.0155426600000000, 0.0081946900000000 ] - [ 0.0568616700000000, 0.0155488900000000, -0.0082075400000000 ] - [ 0.0567751700000000, 0.0155480000000000, -0.0082165100000000 ] - [ -0.0095674500000000, 0.2019935800000000, 0.0797621500000000 ] - [ -0.0095676500000000, 0.2021345400000000, 0.0798328000000000 ] - [ 0.0095745900000000, 0.2020383900000000, -0.0798036300000000 ] - [ 0.0095851800000000, 0.2020348100000000, -0.0797960700000000 ] - [ 0.0095598200000000, -0.2018662900000000, -0.0798097200000000 ] - [ 0.0095158300000000, -0.2023952900000000, -0.0798159800000000 ] - [ -0.0093808900000000, -0.2021112400000000, 0.0795644800000000 ] - [ -0.0079777100000000, -0.2011543500000000, 0.0799685900000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0065726400000000, 0.0073014800000000, -0.0167759100000000 ] - [ -0.0066036200000000, 0.0070975000000000, -0.0167381200000000 ] - [ -0.0065921500000000, -0.0072147700000000, -0.0167407400000000 ] - [ -0.0066078600000000, -0.0072329700000000, -0.0167566400000000 ] - [ 0.0065846600000000, -0.0072457200000000, 0.0167488500000000 ] - [ 0.0065904500000000, -0.0072234700000000, 0.0167201800000000 ] - [ 0.0066941500000000, 0.0071484200000000, 0.0168627000000000 ] - [ 0.0064472500000000, 0.0071845800000000, 0.0166735600000000 ] - [ -0.0002049100000000, 0.0062479800000000, -0.0047447100000000 ] - [ -0.0015002000000000, -0.0005054000000000, -0.0053927300000000 ] - [ 0.0014689400000000, -0.0002374400000000, 0.0051993900000000 ] - [ 0.0015650400000000, -0.0002365000000000, 0.0055664800000000 ] - [ 0.0014848300000000, 0.0002472100000000, 0.0053922200000000 ] - [ 0.0016288700000000, 0.0003993100000000, 0.0052720100000000 ] - [ -0.0014877100000000, 0.0003080400000000, -0.0053947600000000 ] - [ -0.0014711900000000, 0.0002590500000000, -0.0053383800000000 ] - [ 0.0116832000000000, -0.0063995300000000, 0.0016376200000000 ] - [ 0.0116642300000000, -0.0067594100000000, 0.0015407500000000 ] - [ -0.0115884200000000, -0.0066706500000000, -0.0015905000000000 ] - [ -0.0117204000000000, -0.0066504900000000, -0.0015338300000000 ] - [ -0.0116520500000000, 0.0066658300000000, -0.0015549100000000 ] - [ -0.0116915600000000, 0.0066807100000000, -0.0015125600000000 ] - [ 0.0116453300000000, 0.0067291300000000, 0.0014932000000000 ] - [ 0.0116266300000000, 0.0066336600000000, 0.0015930600000000 ] - [ -0.0002872600000000, -0.0041179600000000, 0.0090956000000000 ] - [ 0.0001066900000000, -0.0041171600000000, 0.0087751200000000 ] - [ 0.0000252300000000, -0.0041152100000000, -0.0088930600000000 ] - [ 0.0000348200000000, -0.0040181900000000, -0.0089344200000000 ] - [ 0.0004926600000000, 0.0027438700000000, -0.0082099800000000 ] - [ -0.0003677900000000, 0.0029539200000000, -0.0095534100000000 ] - [ -0.0000087900000000, 0.0040160600000000, 0.0088847200000000 ] - [ -0.0000178500000000, 0.0040352400000000, 0.0089081400000000 ] - [ -0.0159033800000000, -0.0337894600000000, -0.0316901400000000 ] - [ -0.0159254500000000, -0.0332888700000000, -0.0306655300000000 ] - [ -0.0206918400000000, -0.0491627700000000, -0.0057712900000000 ] - [ -0.0206998000000000, -0.0491649400000000, -0.0058002600000000 ] - [ -0.0206201900000000, 0.0490456900000000, -0.0055655800000000 ] - [ -0.0207993400000000, 0.0492865100000000, -0.0059255900000000 ] - [ 0.0211288700000000, 0.0498069400000000, 0.0054034900000000 ] - [ 0.0205515800000000, 0.0490013000000000, 0.0059247000000000 ] - [ 0.0436798800000000, -0.0184688700000000, -0.0208296000000000 ] - [ 0.0436019700000000, -0.0190111200000000, -0.0209374500000000 ] - [ -0.0435809300000000, -0.0189333400000000, 0.0209580200000000 ] - [ -0.0435664300000000, -0.0189387700000000, 0.0209666200000000 ] - [ -0.0444740800000000, 0.0185733600000000, 0.0213698600000000 ] - [ -0.0428720400000000, 0.0193862400000000, 0.0209405700000000 ] - [ 0.0434528000000000, 0.0191842800000000, -0.0218224200000000 ] - [ 0.0436057200000000, 0.0187750600000000, -0.0207612200000000 ] - [ 0.0434717500000000, -0.0187321300000000, -0.0268858300000000 ] - [ 0.0435821400000000, -0.0188773300000000, -0.0269006900000000 ] - [ -0.0435355600000000, -0.0189108700000000, 0.0268607200000000 ] - [ -0.0435445900000000, -0.0190385900000000, 0.0268537900000000 ] - [ -0.0432694900000000, 0.0184650500000000, 0.0264808500000000 ] - [ -0.0437350500000000, 0.0170251600000000, 0.0305262800000000 ] - [ 0.0410086400000000, 0.0191254200000000, -0.0287385800000000 ] - [ 0.0437546800000000, 0.0178043400000000, -0.0267433000000000 ] - [ 0.0159265900000000, -0.0337233000000000, 0.0314913700000000 ] - [ 0.0159036800000000, -0.0335471300000000, 0.0312963800000000 ] - [ -0.0158332800000000, 0.0336023300000000, -0.0314243400000000 ] - [ -0.0159322100000000, 0.0333420400000000, -0.0314270200000000 ] - [ 0.0158769300000000, 0.0336298300000000, 0.0313850000000000 ] - [ 0.0158737000000000, 0.0335448000000000, 0.0313958800000000 ] - [ 0.0206323700000000, -0.0490568300000000, 0.0057900200000000 ] - [ 0.0206660300000000, -0.0491868200000000, 0.0057494400000000 ] - [ 0.0790899500000000, 0.0158872300000000, -0.0140790100000000 ] - [ 0.0791009600000000, 0.0158370000000000, -0.0147573200000000 ] - [ 0.1324792300000000, 0.0060495700000000, 0.0086225100000000 ] - [ 0.1311139400000000, 0.0062937200000000, 0.0076818300000000 ] - [ 0.1315648000000000, -0.0057710600000000, 0.0083179700000000 ] - [ 0.1315374500000000, -0.0058026100000000, 0.0083728600000000 ] - [ -0.1315774600000000, -0.0057917800000000, -0.0085264600000000 ] - [ -0.1315742500000000, -0.0057388000000000, -0.0082398200000000 ] - [ -0.1315991900000000, 0.0055685500000000, -0.0083401000000000 ] - [ -0.1315910300000000, 0.0062603000000000, -0.0082875600000000 ] - [ -0.0792531100000000, 0.0157041700000000, 0.0143176000000000 ] - [ -0.0789892700000000, 0.0161800900000000, 0.0143537700000000 ] - [ -0.0790256200000000, -0.0158077500000000, 0.0143443200000000 ] - [ -0.0790898900000000, -0.0157568700000000, 0.0143598700000000 ] - [ 0.0790431800000000, -0.0156984600000000, -0.0143801200000000 ] - [ 0.0786035700000000, -0.0161243900000000, -0.0158748400000000 ] - [ -0.0245490100000000, -0.0063364800000000, -0.0639462500000000 ] - [ -0.0244338800000000, -0.0058073100000000, -0.0641133500000000 ] - [ 0.0245814200000000, -0.0060106600000000, 0.0639934100000000 ] - [ 0.0243621400000000, -0.0061500800000000, 0.0641928500000000 ] - [ 0.0244828400000000, 0.0060518600000000, 0.0641532500000000 ] - [ 0.0244599800000000, 0.0060024100000000, 0.0641764300000000 ] - [ -0.0244197600000000, 0.0059275200000000, -0.0642691000000000 ] - [ -0.0244907700000000, 0.0060693400000000, -0.0640833300000000 ] - [ -0.0210080200000000, -0.1936235500000000, 0.0710781900000000 ] - [ -0.0211157400000000, -0.1934911600000000, 0.0707580500000000 ] - [ 0.0211152900000000, -0.1935621600000000, -0.0708109400000000 ] - [ 0.0211182100000000, -0.1935657900000000, -0.0707869500000000 ] - [ 0.0211763500000000, 0.1938949500000000, -0.0708222000000000 ] - [ 0.0211589600000000, 0.1934287600000000, -0.0707097300000000 ] - [ -0.0188819600000000, 0.1911719800000000, 0.0703271100000000 ] - [ -0.0208145200000000, 0.1935678000000000, 0.0705240500000000 ] - [ 0.0565452500000000, -0.0153556000000000, -0.0078625400000000 ] - [ 0.0572077400000000, -0.0154271300000000, -0.0084566900000000 ] - [ -0.0569075500000000, -0.0157631600000000, 0.0082690900000000 ] - [ -0.0568439800000000, -0.0154902100000000, 0.0081365400000000 ] - [ -0.0568662100000000, 0.0155254800000000, 0.0082129000000000 ] - [ -0.0568626000000000, 0.0155645000000000, 0.0081948100000000 ] - [ 0.0568700300000000, 0.0155583800000000, -0.0081819200000000 ] - [ 0.0569560100000000, 0.0155591000000000, -0.0081732700000000 ] - [ -0.0096081400000000, 0.2020660700000000, 0.0798466700000000 ] - [ -0.0096105300000000, 0.2019245300000000, 0.0797716000000000 ] - [ 0.0096011000000000, 0.2020217700000000, -0.0798054600000000 ] - [ 0.0095904600000000, 0.2020248000000000, -0.0798122300000000 ] - [ 0.0096172500000000, -0.2021927200000000, -0.0797975900000000 ] - [ 0.0096588200000000, -0.2016634300000000, -0.0797934700000000 ] - [ -0.0097978100000000, -0.2019493700000000, 0.0800471000000000 ] - [ -0.0112268400000000, -0.2029336400000000, 0.0796543600000000 ]- atom: 9 displacement: [ -0.0000427683518374, 0.0000000000000000, 0.0099999085429858 ] forces: - [ -0.0066203800000000, 0.0072017900000000, -0.0166746000000000 ] - [ -0.0066425800000000, 0.0072193500000000, -0.0167119600000000 ] - [ -0.0065351000000000, -0.0072471100000000, -0.0168091100000000 ] - [ -0.0065394100000000, -0.0072276200000000, -0.0168224800000000 ] - [ 0.0065754700000000, -0.0072353700000000, 0.0168505700000000 ] - [ 0.0066922100000000, -0.0072763800000000, 0.0168646300000000 ] - [ 0.0065651900000000, 0.0072301000000000, 0.0166435000000000 ] - [ 0.0065513700000000, 0.0071918200000000, 0.0166298200000000 ] - [ -0.0039891200000000, -0.0009054400000000, -0.0191150700000000 ] - [ -0.0014968100000000, -0.0002704600000000, -0.0054656700000000 ] - [ 0.0015979100000000, -0.0000969600000000, 0.0054539100000000 ] - [ 0.0016113800000000, -0.0004639300000000, 0.0054541400000000 ] - [ 0.0014516500000000, 0.0002693100000000, 0.0053100800000000 ] - [ 0.0008384200000000, 0.0003897700000000, 0.0060461900000000 ] - [ -0.0015115800000000, 0.0002676600000000, -0.0052091700000000 ] - [ -0.0014936000000000, 0.0003241000000000, -0.0052386400000000 ] - [ 0.0121424600000000, -0.0067377600000000, 0.0013113000000000 ] - [ 0.0116382900000000, -0.0066448900000000, 0.0013654200000000 ] - [ -0.0116842700000000, -0.0066750900000000, -0.0014581800000000 ] - [ -0.0116833800000000, -0.0066693800000000, -0.0014510600000000 ] - [ -0.0116215500000000, 0.0066761700000000, -0.0016471100000000 ] - [ -0.0116062800000000, 0.0066875300000000, -0.0016456600000000 ] - [ 0.0116562100000000, 0.0066386200000000, 0.0017111100000000 ] - [ 0.0116287700000000, 0.0067958300000000, 0.0017316200000000 ] - [ -0.0001839800000000, -0.0042003200000000, 0.0087954500000000 ] - [ -0.0000751200000000, -0.0039970400000000, 0.0087566300000000 ] - [ 0.0000574900000000, -0.0040334800000000, -0.0087634100000000 ] - [ -0.0002447900000000, -0.0041295500000000, -0.0084956500000000 ] - [ 0.0002641400000000, 0.0032062000000000, -0.0089807600000000 ] - [ 0.0002025300000000, 0.0047645500000000, -0.0090690900000000 ] - [ 0.0002570600000000, 0.0040456100000000, 0.0091674100000000 ] - [ -0.0000147500000000, 0.0040573400000000, 0.0089940300000000 ] - [ -0.0159294200000000, -0.0337003000000000, -0.0314371300000000 ] - [ -0.0159633500000000, -0.0336304400000000, -0.0313658800000000 ] - [ -0.0206137600000000, -0.0491755500000000, -0.0057250900000000 ] - [ -0.0205922200000000, -0.0489968800000000, -0.0056723700000000 ] - [ -0.0207072200000000, 0.0491557100000000, -0.0058048800000000 ] - [ -0.0206708300000000, 0.0491149300000000, -0.0058091300000000 ] - [ 0.0207901700000000, 0.0490712200000000, 0.0058896900000000 ] - [ 0.0205378500000000, 0.0492122100000000, 0.0058005100000000 ] - [ 0.0437778200000000, -0.0199604300000000, -0.0205571200000000 ] - [ 0.0436293900000000, -0.0187768300000000, -0.0208731900000000 ] - [ -0.0436736500000000, -0.0188828000000000, 0.0209410800000000 ] - [ -0.0436723000000000, -0.0188383500000000, 0.0208816400000000 ] - [ -0.0433286700000000, 0.0188918900000000, 0.0211269800000000 ] - [ -0.0433268800000000, 0.0191717500000000, 0.0208320700000000 ] - [ 0.0423825700000000, 0.0196603000000000, -0.0203241000000000 ] - [ 0.0436279400000000, 0.0188380100000000, -0.0210471600000000 ] - [ 0.0433675700000000, -0.0187704300000000, -0.0268327100000000 ] - [ 0.0433953500000000, -0.0188555500000000, -0.0267954300000000 ] - [ -0.0433847800000000, -0.0190568700000000, 0.0268892100000000 ] - [ -0.0442276800000000, -0.0184611200000000, 0.0274985600000000 ] - [ -0.0434633800000000, 0.0189019300000000, 0.0269736700000000 ] - [ -0.0441199000000000, 0.0152132600000000, 0.0292326100000000 ] - [ 0.0474746300000000, 0.0205760100000000, -0.0261874100000000 ] - [ 0.0436112000000000, 0.0187729300000000, -0.0266245700000000 ] - [ 0.0155363700000000, -0.0339583000000000, 0.0311667700000000 ] - [ 0.0159317300000000, -0.0335849500000000, 0.0314811200000000 ] - [ -0.0159942600000000, 0.0334602200000000, -0.0313008400000000 ] - [ -0.0148508700000000, 0.0342588100000000, -0.0311411500000000 ] - [ 0.0159400700000000, 0.0335555300000000, 0.0313632100000000 ] - [ 0.0159438900000000, 0.0336112800000000, 0.0314012100000000 ] - [ 0.0207640000000000, -0.0492462300000000, 0.0058213400000000 ] - [ 0.0206209800000000, -0.0491455000000000, 0.0059551100000000 ] - [ 0.0792181100000000, 0.0155872000000000, -0.0144448400000000 ] - [ 0.0793136800000000, 0.0160655300000000, -0.0145278400000000 ] - [ 0.1313272900000000, 0.0058630700000000, 0.0085136300000000 ] - [ 0.1316153100000000, 0.0058766200000000, 0.0083067700000000 ] - [ 0.1316191200000000, -0.0057736100000000, 0.0082188900000000 ] - [ 0.1318071800000000, -0.0058366500000000, 0.0079214900000000 ] - [ -0.1315754500000000, -0.0054783000000000, -0.0085399500000000 ] - [ -0.1314077100000000, -0.0060202800000000, -0.0084131100000000 ] - [ -0.1309659000000000, 0.0057559000000000, -0.0057177800000000 ] - [ -0.1316108800000000, 0.0058187500000000, -0.0083489200000000 ] - [ -0.0795366500000000, 0.0159190200000000, 0.0148476900000000 ] - [ -0.0791860000000000, 0.0157782300000000, 0.0143450700000000 ] - [ -0.0790423500000000, -0.0158069100000000, 0.0142946300000000 ] - [ -0.0790244400000000, -0.0157559200000000, 0.0143174300000000 ] - [ 0.0790284800000000, -0.0157491000000000, -0.0143316200000000 ] - [ 0.0808856900000000, -0.0144737700000000, -0.0087940600000000 ] - [ -0.0242029200000000, -0.0060320300000000, -0.0642941200000000 ] - [ -0.0243203400000000, -0.0059590900000000, -0.0642098100000000 ] - [ 0.0244587800000000, -0.0058993400000000, 0.0642399200000000 ] - [ 0.0244290700000000, -0.0060153100000000, 0.0641964300000000 ] - [ 0.0244758300000000, 0.0060251000000000, 0.0640795600000000 ] - [ 0.0245281200000000, 0.0060524800000000, 0.0640185700000000 ] - [ -0.0246341300000000, 0.0062580600000000, -0.0640407200000000 ] - [ -0.0246123100000000, 0.0057919300000000, -0.0642155500000000 ] - [ -0.0212289300000000, -0.1935324400000000, 0.0704536000000000 ] - [ -0.0211588500000000, -0.1936305600000000, 0.0706839800000000 ] - [ 0.0211115600000000, -0.1935911600000000, -0.0708046700000000 ] - [ 0.0211265100000000, -0.1936376000000000, -0.0707808500000000 ] - [ 0.0211282100000000, 0.1935602100000000, -0.0708222900000000 ] - [ 0.0210579300000000, 0.1935433900000000, -0.0706348700000000 ] - [ -0.0227260900000000, 0.1944625900000000, 0.0708801900000000 ] - [ -0.0208053900000000, 0.1935964900000000, 0.0708335200000000 ] - [ 0.0568840100000000, -0.0155789800000000, -0.0082400800000000 ] - [ 0.0569095500000000, -0.0155847900000000, -0.0082105100000000 ] - [ -0.0566822500000000, -0.0154408000000000, 0.0082761100000000 ] - [ -0.0567763800000000, -0.0155298500000000, 0.0082060900000000 ] - [ -0.0569014200000000, 0.0156032800000000, 0.0081558900000000 ] - [ -0.0569195500000000, 0.0155136100000000, 0.0081706700000000 ] - [ 0.0567952900000000, 0.0155505800000000, -0.0082783900000000 ] - [ 0.0565601200000000, 0.0154232900000000, -0.0083426200000000 ] - [ -0.0095646800000000, 0.2021194500000000, 0.0797374200000000 ] - [ -0.0099302600000000, 0.2018925400000000, 0.0789082800000000 ] - [ 0.0095895000000000, 0.2020503900000000, -0.0798144200000000 ] - [ 0.0095855800000000, 0.2020282500000000, -0.0798030300000000 ] - [ 0.0092751300000000, -0.2020376500000000, -0.0795958500000000 ] - [ 0.0095978100000000, -0.2020319600000000, -0.0798245300000000 ] - [ -0.0094692500000000, -0.2021477100000000, 0.0799841800000000 ] - [ -0.0106459900000000, -0.2021725500000000, 0.0801556200000000 ]- atom: 9 displacement: [ 0.0000427683518374, 0.0000000000000000, -0.0099999085429858 ] forces: - [ -0.0065668200000000, 0.0072470000000000, -0.0168321400000000 ] - [ -0.0065446200000000, 0.0072288700000000, -0.0167962800000000 ] - [ -0.0066523200000000, -0.0072038200000000, -0.0166979200000000 ] - [ -0.0066479000000000, -0.0072233800000000, -0.0166845000000000 ] - [ 0.0066118700000000, -0.0072130200000000, 0.0166558100000000 ] - [ 0.0064958500000000, -0.0071731300000000, 0.0166402300000000 ] - [ 0.0066219300000000, 0.0072215200000000, 0.0168629900000000 ] - [ 0.0066358300000000, 0.0072588800000000, 0.0168772300000000 ] - [ 0.0010263900000000, 0.0004448200000000, 0.0084341600000000 ] - [ -0.0014949000000000, -0.0002795100000000, -0.0053077200000000 ] - [ 0.0013946500000000, -0.0004530800000000, 0.0053183200000000 ] - [ 0.0013806900000000, -0.0000877000000000, 0.0053183000000000 ] - [ 0.0015405400000000, 0.0002812200000000, 0.0054630900000000 ] - [ 0.0021612800000000, 0.0001578900000000, 0.0047168600000000 ] - [ -0.0014804100000000, 0.0002834300000000, -0.0055645600000000 ] - [ -0.0014980600000000, 0.0002278100000000, -0.0055349400000000 ] - [ 0.0111858700000000, -0.0066201100000000, 0.0017913800000000 ] - [ 0.0116899600000000, -0.0067132200000000, 0.0017357500000000 ] - [ -0.0116439200000000, -0.0066818400000000, -0.0016447300000000 ] - [ -0.0116446800000000, -0.0066877900000000, -0.0016513800000000 ] - [ -0.0117067800000000, 0.0066816900000000, -0.0014542400000000 ] - [ -0.0117219300000000, 0.0066706800000000, -0.0014553400000000 ] - [ 0.0116719600000000, 0.0067187500000000, 0.0013899100000000 ] - [ 0.0117002800000000, 0.0065615100000000, 0.0013695600000000 ] - [ 0.0001323400000000, -0.0038992600000000, 0.0090032100000000 ] - [ 0.0000228300000000, -0.0041042400000000, 0.0090415300000000 ] - [ -0.0000043900000000, -0.0040682700000000, -0.0090358200000000 ] - [ 0.0002986500000000, -0.0039728200000000, -0.0093030300000000 ] - [ -0.0002118400000000, 0.0048963900000000, -0.0088150500000000 ] - [ -0.0001504600000000, 0.0033350900000000, -0.0087274000000000 ] - [ -0.0003114600000000, 0.0040571600000000, 0.0086295700000000 ] - [ -0.0000383100000000, 0.0040443200000000, 0.0088034300000000 ] - [ -0.0158226500000000, -0.0334939200000000, -0.0313392300000000 ] - [ -0.0157889500000000, -0.0335655200000000, -0.0314099700000000 ] - [ -0.0207455900000000, -0.0491180900000000, -0.0058269800000000 ] - [ -0.0207670500000000, -0.0492979300000000, -0.0058795600000000 ] - [ -0.0206515400000000, 0.0491382000000000, -0.0057461700000000 ] - [ -0.0206874600000000, 0.0491786700000000, -0.0057427900000000 ] - [ 0.0205696300000000, 0.0492246800000000, 0.0056604800000000 ] - [ 0.0208213400000000, 0.0490819300000000, 0.0057504600000000 ] - [ 0.0434008800000000, -0.0178948500000000, -0.0213512700000000 ] - [ 0.0435512500000000, -0.0190811000000000, -0.0210320800000000 ] - [ -0.0435060800000000, -0.0189747600000000, 0.0209629800000000 ] - [ -0.0435079900000000, -0.0190193900000000, 0.0210229000000000 ] - [ -0.0438522700000000, 0.0189654500000000, 0.0207789200000000 ] - [ -0.0438546500000000, 0.0186859800000000, 0.0210703300000000 ] - [ 0.0447878400000000, 0.0182049900000000, -0.0215715900000000 ] - [ 0.0435527800000000, 0.0190187500000000, -0.0208585900000000 ] - [ 0.0437161700000000, -0.0188858700000000, -0.0269536800000000 ] - [ 0.0436880900000000, -0.0187991600000000, -0.0269907200000000 ] - [ -0.0436984800000000, -0.0185965000000000, 0.0268961000000000 ] - [ -0.0428592600000000, -0.0191922900000000, 0.0262842000000000 ] - [ -0.0436181500000000, 0.0187542200000000, 0.0268106500000000 ] - [ -0.0429722600000000, 0.0223887900000000, 0.0245829900000000 ] - [ 0.0396419400000000, 0.0170959400000000, -0.0276005800000000 ] - [ 0.0434707400000000, 0.0188842100000000, -0.0271603100000000 ] - [ 0.0162158100000000, -0.0332368500000000, 0.0316033200000000 ] - [ 0.0158196400000000, -0.0336094900000000, 0.0312928000000000 ] - [ -0.0157562500000000, 0.0337346300000000, -0.0314739300000000 ] - [ -0.0168971200000000, 0.0329356500000000, -0.0316395000000000 ] - [ 0.0158110000000000, 0.0336390400000000, 0.0314104600000000 ] - [ 0.0158073100000000, 0.0335831600000000, 0.0313724800000000 ] - [ 0.0205949600000000, -0.0490476600000000, 0.0057284900000000 ] - [ 0.0207383100000000, -0.0491480500000000, 0.0055943800000000 ] - [ 0.0788901900000000, 0.0159424900000000, -0.0142855300000000 ] - [ 0.0787943800000000, 0.0154682600000000, -0.0142020900000000 ] - [ 0.1318344700000000, 0.0057366600000000, 0.0081202500000000 ] - [ 0.1315468800000000, 0.0057236900000000, 0.0083266200000000 ] - [ 0.1315417900000000, -0.0058268800000000, 0.0084150400000000 ] - [ 0.1313530300000000, -0.0057630000000000, 0.0087142400000000 ] - [ -0.1315852200000000, -0.0061239100000000, -0.0080922000000000 ] - [ -0.1317540300000000, -0.0055785000000000, -0.0082202500000000 ] - [ -0.1321594600000000, 0.0058413500000000, -0.0107759000000000 ] - [ -0.1315500200000000, 0.0057810200000000, -0.0082845700000000 ] - [ -0.0785802600000000, 0.0156132700000000, 0.0138909100000000 ] - [ -0.0789202400000000, 0.0157532100000000, 0.0143844700000000 ] - [ -0.0790648600000000, -0.0157251500000000, 0.0144350400000000 ] - [ -0.0790825900000000, -0.0157762800000000, 0.0144120300000000 ] - [ 0.0790783700000000, -0.0157830000000000, -0.0143995100000000 ] - [ 0.0771304900000000, -0.0171221500000000, -0.0201406200000000 ] - [ -0.0247445000000000, -0.0060154900000000, -0.0639814600000000 ] - [ -0.0246293800000000, -0.0060877900000000, -0.0640645800000000 ] - [ 0.0244919800000000, -0.0061476100000000, 0.0640353900000000 ] - [ 0.0245214100000000, -0.0060321700000000, 0.0640785500000000 ] - [ 0.0244742200000000, 0.0060224300000000, 0.0641959800000000 ] - [ 0.0244218400000000, 0.0059952400000000, 0.0642568900000000 ] - [ -0.0243150700000000, 0.0057885900000000, -0.0642354600000000 ] - [ -0.0243369900000000, 0.0062568900000000, -0.0640594000000000 ] - [ -0.0210139600000000, -0.1936161500000000, 0.0711298400000000 ] - [ -0.0210832100000000, -0.1935150400000000, 0.0709002200000000 ] - [ 0.0211305900000000, -0.1935546400000000, -0.0707798400000000 ] - [ 0.0211159300000000, -0.1935080100000000, -0.0708037600000000 ] - [ 0.0211152100000000, 0.1935864300000000, -0.0707626700000000 ] - [ 0.0211842000000000, 0.1936025900000000, -0.0709496400000000 ] - [ -0.0195142300000000, 0.1926814900000000, 0.0706891800000000 ] - [ -0.0214369100000000, 0.1935513100000000, 0.0707510900000000 ] - [ 0.0568471000000000, -0.0155280100000000, -0.0081488600000000 ] - [ 0.0568215200000000, -0.0155235100000000, -0.0081783800000000 ] - [ -0.0570490100000000, -0.0156666900000000, 0.0081140200000000 ] - [ -0.0569553000000000, -0.0155778900000000, 0.0081826300000000 ] - [ -0.0568307200000000, 0.0155045700000000, 0.0082334700000000 ] - [ -0.0568128700000000, 0.0155940100000000, 0.0082184400000000 ] - [ 0.0569373600000000, 0.0155570400000000, -0.0081108300000000 ] - [ 0.0571736900000000, 0.0156854200000000, -0.0080463500000000 ] - [ -0.0096113400000000, 0.2019394200000000, 0.0798701000000000 ] - [ -0.0092486000000000, 0.2021671000000000, 0.0806947500000000 ] - [ 0.0095865100000000, 0.2020091700000000, -0.0797936700000000 ] - [ 0.0095905900000000, 0.2020309200000000, -0.0798053500000000 ] - [ 0.0098985500000000, -0.2020216800000000, -0.0800115700000000 ] - [ 0.0095784700000000, -0.2020276700000000, -0.0797835800000000 ] - [ -0.0097077300000000, -0.2019128300000000, 0.0796260300000000 ] - [ -0.0085263500000000, -0.2018872700000000, 0.0794496200000000 ]- atom: 17 displacement: [ 0.0099999992956673, 0.0000000000000000, 0.0000037532191477 ] forces: - [ -0.0066587000000000, 0.0071813900000000, -0.0170332600000000 ] - [ -0.0066179800000000, 0.0072278000000000, -0.0167610100000000 ] - [ -0.0064280300000000, -0.0076035700000000, -0.0165078100000000 ] - [ -0.0066161100000000, -0.0071011700000000, -0.0167038200000000 ] - [ 0.0065565800000000, -0.0072395400000000, 0.0167737200000000 ] - [ 0.0064595000000000, -0.0072062300000000, 0.0169826800000000 ] - [ 0.0064823900000000, 0.0066289300000000, 0.0165659300000000 ] - [ 0.0064377800000000, 0.0079145000000000, 0.0165124600000000 ] - [ -0.0006139700000000, -0.0002930500000000, -0.0049005300000000 ] - [ -0.0014184600000000, -0.0002750600000000, -0.0054117900000000 ] - [ 0.0015694800000000, -0.0003313800000000, 0.0053676600000000 ] - [ 0.0015766800000000, -0.0001989100000000, 0.0053670700000000 ] - [ 0.0015370900000000, 0.0002632800000000, 0.0054295000000000 ] - [ 0.0017551900000000, 0.0003025100000000, 0.0054453400000000 ] - [ -0.0014891100000000, 0.0002569900000000, -0.0053942100000000 ] - [ -0.0014986700000000, 0.0002379000000000, -0.0054223000000000 ] - [ -0.0012991500000000, -0.0070671100000000, 0.0052625200000000 ] - [ 0.0116256200000000, -0.0066744800000000, 0.0015333100000000 ] - [ -0.0116748500000000, -0.0066888000000000, -0.0015824700000000 ] - [ -0.0116748800000000, -0.0066436900000000, -0.0015950600000000 ] - [ -0.0116852200000000, 0.0066572600000000, -0.0015116900000000 ] - [ -0.0110178500000000, 0.0068136900000000, -0.0013912300000000 ] - [ 0.0116265300000000, 0.0067142800000000, 0.0015302800000000 ] - [ 0.0116066800000000, 0.0066487600000000, 0.0015242300000000 ] - [ 0.0000234600000000, -0.0040630400000000, 0.0089385700000000 ] - [ 0.0000538600000000, -0.0040435600000000, 0.0089490500000000 ] - [ 0.0000132500000000, -0.0040387000000000, -0.0088927900000000 ] - [ 0.0000238700000000, -0.0040134800000000, -0.0089453400000000 ] - [ 0.0002084000000000, 0.0043332300000000, -0.0089581700000000 ] - [ 0.0001270500000000, 0.0037686500000000, -0.0088523900000000 ] - [ 0.0000770900000000, 0.0040302200000000, 0.0087563200000000 ] - [ 0.0000225600000000, 0.0040486000000000, 0.0088804200000000 ] - [ -0.0161236500000000, -0.0336885100000000, -0.0311006900000000 ] - [ -0.0161784100000000, -0.0335286800000000, -0.0311987400000000 ] - [ -0.0207181000000000, -0.0491568900000000, -0.0058752800000000 ] - [ -0.0200774000000000, -0.0488728500000000, -0.0058913900000000 ] - [ -0.0207102500000000, 0.0490779900000000, -0.0058264900000000 ] - [ -0.0205388000000000, 0.0500659700000000, -0.0058135300000000 ] - [ 0.0195549100000000, 0.0484692900000000, 0.0053661500000000 ] - [ 0.0205037000000000, 0.0492388000000000, 0.0058496200000000 ] - [ 0.0435111600000000, -0.0177894400000000, -0.0217800100000000 ] - [ 0.0434646000000000, -0.0189319600000000, -0.0209521000000000 ] - [ -0.0434805300000000, -0.0189807000000000, 0.0209542800000000 ] - [ -0.0433219300000000, -0.0189997200000000, 0.0210106900000000 ] - [ -0.0434537700000000, 0.0189036700000000, 0.0208612900000000 ] - [ -0.0433797800000000, 0.0189325600000000, 0.0210644400000000 ] - [ 0.0438339900000000, 0.0186646100000000, -0.0208418500000000 ] - [ 0.0436217500000000, 0.0189847200000000, -0.0208394700000000 ] - [ 0.0437103700000000, -0.0187028000000000, -0.0268901600000000 ] - [ 0.0437248300000000, -0.0187500400000000, -0.0269918500000000 ] - [ -0.0436677700000000, -0.0187899900000000, 0.0268757200000000 ] - [ -0.0434886900000000, -0.0193837200000000, 0.0260974000000000 ] - [ -0.0433219400000000, 0.0188187400000000, 0.0269211600000000 ] - [ -0.0433377200000000, 0.0188563700000000, 0.0268880000000000 ] - [ 0.0437342000000000, 0.0187759500000000, -0.0268024900000000 ] - [ 0.0436195900000000, 0.0188251500000000, -0.0269627100000000 ] - [ 0.0165190900000000, -0.0339171800000000, 0.0316052300000000 ] - [ 0.0158393000000000, -0.0334078400000000, 0.0313223700000000 ] - [ -0.0155699200000000, 0.0335352500000000, -0.0314680600000000 ] - [ -0.0175399100000000, 0.0331052200000000, -0.0323277400000000 ] - [ 0.0159169400000000, 0.0335028900000000, 0.0314482600000000 ] - [ 0.0159751000000000, 0.0335743700000000, 0.0313159700000000 ] - [ 0.0203251500000000, -0.0498084400000000, 0.0058624300000000 ] - [ 0.0206616300000000, -0.0491017600000000, 0.0056244900000000 ] - [ 0.0789869400000000, 0.0156533800000000, -0.0145902000000000 ] - [ 0.0789785800000000, 0.0158015800000000, -0.0145396400000000 ] - [ 0.1314204000000000, 0.0058450300000000, 0.0082813700000000 ] - [ 0.1314137600000000, 0.0058295400000000, 0.0082937900000000 ] - [ 0.1314566700000000, -0.0057969000000000, 0.0083952000000000 ] - [ 0.1311959400000000, -0.0057258000000000, 0.0086708000000000 ] - [ -0.1315647200000000, -0.0060325100000000, -0.0082157600000000 ] - [ -0.1317870800000000, -0.0055409700000000, -0.0081551600000000 ] - [ -0.1317211000000000, 0.0058290600000000, -0.0082444500000000 ] - [ -0.1316991800000000, 0.0058183100000000, -0.0083833600000000 ] - [ -0.0793750500000000, 0.0157858000000000, 0.0142608500000000 ] - [ -0.0791515800000000, 0.0157455000000000, 0.0143852600000000 ] - [ -0.0791529600000000, -0.0157446100000000, 0.0143820300000000 ] - [ -0.0791551500000000, -0.0157912700000000, 0.0143749600000000 ] - [ 0.0791286500000000, -0.0157590000000000, -0.0143870100000000 ] - [ 0.0837670400000000, -0.0171798600000000, -0.0162575300000000 ] - [ -0.0241432600000000, -0.0059264400000000, -0.0641777200000000 ] - [ -0.0242763800000000, -0.0061130800000000, -0.0644287100000000 ] - [ 0.0242860500000000, -0.0058087200000000, 0.0641664700000000 ] - [ 0.0243960300000000, -0.0061982500000000, 0.0641376500000000 ] - [ 0.0244200200000000, 0.0060091100000000, 0.0641811000000000 ] - [ 0.0240892500000000, 0.0059705200000000, 0.0639996500000000 ] - [ -0.0246801900000000, 0.0064564100000000, -0.0644626400000000 ] - [ -0.0241931800000000, 0.0060463800000000, -0.0640753200000000 ] - [ -0.0207973700000000, -0.1935804100000000, 0.0708632800000000 ] - [ -0.0210615500000000, -0.1935228300000000, 0.0707432800000000 ] - [ 0.0210967500000000, -0.1935672700000000, -0.0707915700000000 ] - [ 0.0210729700000000, -0.1935936900000000, -0.0708021000000000 ] - [ 0.0210910500000000, 0.1935462400000000, -0.0707096900000000 ] - [ 0.0206310400000000, 0.1933878000000000, -0.0705328800000000 ] - [ -0.0202571800000000, 0.1950143900000000, 0.0731026300000000 ] - [ -0.0210582900000000, 0.1934819600000000, 0.0705553000000000 ] - [ 0.0571652500000000, -0.0153598800000000, -0.0081098400000000 ] - [ 0.0570794200000000, -0.0157803600000000, -0.0081327800000000 ] - [ -0.0513265900000000, -0.0153212500000000, 0.0035844200000000 ] - [ -0.0567778900000000, -0.0155615800000000, 0.0081979000000000 ] - [ -0.0567670400000000, 0.0157112100000000, 0.0082087500000000 ] - [ -0.0569452100000000, 0.0153511600000000, 0.0081024500000000 ] - [ 0.0569037300000000, 0.0155179900000000, -0.0081347500000000 ] - [ 0.0581486200000000, 0.0161671100000000, -0.0061788600000000 ] - [ -0.0096259400000000, 0.2020472600000000, 0.0797960600000000 ] - [ -0.0092050300000000, 0.2020716200000000, 0.0801186700000000 ] - [ 0.0095548200000000, 0.2020276300000000, -0.0798660400000000 ] - [ 0.0094911100000000, 0.2020301200000000, -0.0797941200000000 ] - [ 0.0092693100000000, -0.2019503400000000, -0.0796712100000000 ] - [ 0.0095950500000000, -0.2020222300000000, -0.0798047400000000 ] - [ -0.0095434100000000, -0.2019348000000000, 0.0794547600000000 ] - [ -0.0090709700000000, -0.2024003100000000, 0.0807293100000000 ]- atom: 17 displacement: [ -0.0099999992956673, 0.0000000000000000, -0.0000037532191477 ] forces: - [ -0.0065297300000000, 0.0072672100000000, -0.0164723700000000 ] - [ -0.0065698700000000, 0.0072201000000000, -0.0167462500000000 ] - [ -0.0067618000000000, -0.0068425500000000, -0.0170020600000000 ] - [ -0.0065713000000000, -0.0073500800000000, -0.0168014600000000 ] - [ 0.0066304400000000, -0.0072082200000000, 0.0167330800000000 ] - [ 0.0067261500000000, -0.0072424300000000, 0.0165214000000000 ] - [ 0.0067067600000000, 0.0078233300000000, 0.0169405700000000 ] - [ 0.0067516000000000, 0.0065359500000000, 0.0169938200000000 ] - [ -0.0023637800000000, -0.0002576000000000, -0.0058650600000000 ] - [ -0.0015735800000000, -0.0002752600000000, -0.0053612300000000 ] - [ 0.0014218600000000, -0.0002192200000000, 0.0054053600000000 ] - [ 0.0014148300000000, -0.0003502700000000, 0.0054061200000000 ] - [ 0.0014542400000000, 0.0002870800000000, 0.0053437600000000 ] - [ 0.0012358900000000, 0.0002478800000000, 0.0053273000000000 ] - [ -0.0015029400000000, 0.0002942900000000, -0.0053792000000000 ] - [ -0.0014937200000000, 0.0003130400000000, -0.0053513000000000 ] - [ 0.0246910700000000, -0.0062527800000000, -0.0022267100000000 ] - [ 0.0117024600000000, -0.0066829600000000, 0.0015677400000000 ] - [ -0.0116541300000000, -0.0066677500000000, -0.0015190700000000 ] - [ -0.0116541600000000, -0.0067124600000000, -0.0015064000000000 ] - [ -0.0116434600000000, 0.0067005400000000, -0.0015895300000000 ] - [ -0.0123195800000000, 0.0065417300000000, -0.0017109300000000 ] - [ 0.0117015300000000, 0.0066431600000000, 0.0015710900000000 ] - [ 0.0117216100000000, 0.0067077300000000, 0.0015772100000000 ] - [ -0.0000770600000000, -0.0040370400000000, 0.0088603600000000 ] - [ -0.0001073700000000, -0.0040563500000000, 0.0088497800000000 ] - [ 0.0000395400000000, -0.0040633200000000, -0.0089060100000000 ] - [ 0.0000298000000000, -0.0040879500000000, -0.0088540700000000 ] - [ -0.0001546600000000, 0.0037699800000000, -0.0088407400000000 ] - [ -0.0000741900000000, 0.0043302800000000, -0.0089461400000000 ] - [ -0.0001306400000000, 0.0040721300000000, 0.0090422300000000 ] - [ -0.0000763600000000, 0.0040535900000000, 0.0089184100000000 ] - [ -0.0156261500000000, -0.0335055700000000, -0.0316742900000000 ] - [ -0.0155709600000000, -0.0336655400000000, -0.0315763100000000 ] - [ -0.0206414600000000, -0.0491366100000000, -0.0056751800000000 ] - [ -0.0212832500000000, -0.0494183800000000, -0.0056585300000000 ] - [ -0.0206495600000000, 0.0492168500000000, -0.0057240200000000 ] - [ -0.0208243500000000, 0.0482324100000000, -0.0057366900000000 ] - [ 0.0218081400000000, 0.0498251400000000, 0.0061802500000000 ] - [ 0.0208555300000000, 0.0490554800000000, 0.0057008600000000 ] - [ 0.0436677900000000, -0.0200623300000000, -0.0201285300000000 ] - [ 0.0437151300000000, -0.0189260800000000, -0.0209533100000000 ] - [ -0.0437004300000000, -0.0188767600000000, 0.0209508800000000 ] - [ -0.0438588200000000, -0.0188575400000000, 0.0208942700000000 ] - [ -0.0437274900000000, 0.0189546600000000, 0.0210439300000000 ] - [ -0.0438011000000000, 0.0189260500000000, 0.0208410500000000 ] - [ 0.0433480600000000, 0.0191953500000000, -0.0210650600000000 ] - [ 0.0435586100000000, 0.0188734600000000, -0.0210656600000000 ] - [ 0.0433725100000000, -0.0189525300000000, -0.0268951200000000 ] - [ 0.0433582300000000, -0.0189046600000000, -0.0267929400000000 ] - [ -0.0434168500000000, -0.0188641800000000, 0.0269090100000000 ] - [ -0.0435880000000000, -0.0182687200000000, 0.0276908300000000 ] - [ -0.0437624100000000, 0.0188365100000000, 0.0268638800000000 ] - [ -0.0437472700000000, 0.0187986700000000, 0.0268979200000000 ] - [ 0.0433487600000000, 0.0188796800000000, -0.0269816200000000 ] - [ 0.0434626400000000, 0.0188299900000000, -0.0268220700000000 ] - [ 0.0152309500000000, -0.0332802200000000, 0.0311743000000000 ] - [ 0.0159114400000000, -0.0337864700000000, 0.0314525500000000 ] - [ -0.0161809400000000, 0.0336578000000000, -0.0313081600000000 ] - [ -0.0142182000000000, 0.0340947100000000, -0.0304356300000000 ] - [ 0.0158336000000000, 0.0336915400000000, 0.0313263500000000 ] - [ 0.0157750100000000, 0.0336204100000000, 0.0314588400000000 ] - [ 0.0210345300000000, -0.0484824800000000, 0.0056897600000000 ] - [ 0.0206980800000000, -0.0491925100000000, 0.0059259400000000 ] - [ 0.0791197900000000, 0.0158800300000000, -0.0141377800000000 ] - [ 0.0791279800000000, 0.0157300600000000, -0.0141885400000000 ] - [ 0.1317400700000000, 0.0057550700000000, 0.0083519500000000 ] - [ 0.1317465900000000, 0.0057710100000000, 0.0083398900000000 ] - [ 0.1317031600000000, -0.0058032200000000, 0.0082388000000000 ] - [ 0.1319642900000000, -0.0058736300000000, 0.0079624600000000 ] - [ -0.1315966000000000, -0.0055689000000000, -0.0084172100000000 ] - [ -0.1313745500000000, -0.0060581700000000, -0.0084789300000000 ] - [ -0.1314397600000000, 0.0057707100000000, -0.0083890900000000 ] - [ -0.1314608400000000, 0.0057823300000000, -0.0082502000000000 ] - [ -0.0787325400000000, 0.0157461700000000, 0.0144692000000000 ] - [ -0.0789551000000000, 0.0157866700000000, 0.0143453700000000 ] - [ -0.0789545100000000, -0.0157872200000000, 0.0143480000000000 ] - [ -0.0789520900000000, -0.0157407000000000, 0.0143550100000000 ] - [ 0.0789781600000000, -0.0157721900000000, -0.0143440100000000 ] - [ 0.0744656500000000, -0.0144035800000000, -0.0125719500000000 ] - [ -0.0248098100000000, -0.0061206900000000, -0.0640989000000000 ] - [ -0.0246748100000000, -0.0059341100000000, -0.0638465000000000 ] - [ 0.0246649500000000, -0.0062389600000000, 0.0641077900000000 ] - [ 0.0245548600000000, -0.0058483600000000, 0.0641374100000000 ] - [ 0.0245298200000000, 0.0060385500000000, 0.0640941900000000 ] - [ 0.0248596300000000, 0.0060770200000000, 0.0642748900000000 ] - [ -0.0242738400000000, 0.0055724200000000, -0.0637991700000000 ] - [ -0.0247567700000000, 0.0060012300000000, -0.0642005900000000 ] - [ -0.0214458200000000, -0.1935660800000000, 0.0707236700000000 ] - [ -0.0211811200000000, -0.1936214500000000, 0.0708410400000000 ] - [ 0.0211454300000000, -0.1935782800000000, -0.0707931000000000 ] - [ 0.0211688600000000, -0.1935518400000000, -0.0707825100000000 ] - [ 0.0211512600000000, 0.1935998700000000, -0.0708752100000000 ] - [ 0.0216097700000000, 0.1937594900000000, -0.0710503500000000 ] - [ -0.0219864200000000, 0.1921501700000000, 0.0685065400000000 ] - [ -0.0211832600000000, 0.1936643300000000, 0.0710301200000000 ] - [ 0.0565662400000000, -0.0157490300000000, -0.0082802500000000 ] - [ 0.0566530300000000, -0.0153257900000000, -0.0082578400000000 ] - [ -0.0625453500000000, -0.0158075600000000, 0.0129479800000000 ] - [ -0.0569546600000000, -0.0155458400000000, 0.0081916700000000 ] - [ -0.0569654600000000, 0.0153962600000000, 0.0081808300000000 ] - [ -0.0567869700000000, 0.0157580700000000, 0.0082872700000000 ] - [ 0.0568270100000000, 0.0155907200000000, -0.0082546700000000 ] - [ 0.0555682500000000, 0.0149274000000000, -0.0102531400000000 ] - [ -0.0095503300000000, 0.2020134000000000, 0.0798131200000000 ] - [ -0.0099696500000000, 0.2019889000000000, 0.0794934300000000 ] - [ 0.0096210600000000, 0.2020327700000000, -0.0797425600000000 ] - [ 0.0096842700000000, 0.2020300900000000, -0.0798147100000000 ] - [ 0.0099040100000000, -0.2021098600000000, -0.0799359500000000 ] - [ 0.0095806900000000, -0.2020372600000000, -0.0798040800000000 ] - [ -0.0096309400000000, -0.2021252100000000, 0.0801548200000000 ] - [ -0.0101048600000000, -0.2016647300000000, 0.0788845800000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0066343600000000, 0.0072196400000000, -0.0167869600000000 ] - [ -0.0065862600000000, 0.0072503500000000, -0.0167579400000000 ] - [ -0.0069662200000000, -0.0071550700000000, -0.0169194200000000 ] - [ -0.0065371600000000, -0.0071622500000000, -0.0167248800000000 ] - [ 0.0065533300000000, -0.0071875900000000, 0.0167065800000000 ] - [ 0.0065472000000000, -0.0072611200000000, 0.0168205700000000 ] - [ 0.0060942300000000, 0.0083695400000000, 0.0172985600000000 ] - [ 0.0072166000000000, 0.0084937800000000, 0.0161548900000000 ] - [ -0.0015000100000000, -0.0005536600000000, -0.0054459300000000 ] - [ -0.0015007800000000, -0.0001939300000000, -0.0053521600000000 ] - [ 0.0015515100000000, -0.0003020900000000, 0.0053771500000000 ] - [ 0.0014305200000000, -0.0002820200000000, 0.0053827400000000 ] - [ 0.0015294400000000, 0.0002888300000000, 0.0053838200000000 ] - [ 0.0013789700000000, 0.0002743300000000, 0.0053944000000000 ] - [ -0.0014535900000000, 0.0002252400000000, -0.0053461600000000 ] - [ -0.0014741200000000, 0.0003211700000000, -0.0055033900000000 ] - [ 0.0112326500000000, -0.0170877200000000, 0.0005366900000000 ] - [ 0.0116683800000000, -0.0065433200000000, 0.0015734100000000 ] - [ -0.0116986200000000, -0.0066738900000000, -0.0015769400000000 ] - [ -0.0116536400000000, -0.0066737500000000, -0.0015495000000000 ] - [ -0.0116860500000000, 0.0066789800000000, -0.0015308500000000 ] - [ -0.0115276800000000, 0.0066710600000000, -0.0015382600000000 ] - [ 0.0116287400000000, 0.0066654900000000, 0.0015444200000000 ] - [ 0.0116936000000000, 0.0067194200000000, 0.0014862900000000 ] - [ -0.0000022300000000, -0.0040764800000000, 0.0089092600000000 ] - [ -0.0000366700000000, -0.0040297200000000, 0.0089270600000000 ] - [ 0.0000344800000000, -0.0039220800000000, -0.0089294700000000 ] - [ 0.0000580200000000, -0.0041580700000000, -0.0088776700000000 ] - [ 0.0003393100000000, 0.0042758500000000, -0.0089026200000000 ] - [ -0.0001611900000000, 0.0042291100000000, -0.0088241100000000 ] - [ -0.0000220500000000, 0.0040595400000000, 0.0089259300000000 ] - [ -0.0000305400000000, 0.0040614300000000, 0.0088869000000000 ] - [ -0.0161078000000000, -0.0334386100000000, -0.0311974100000000 ] - [ -0.0153737500000000, -0.0338287300000000, -0.0318129700000000 ] - [ -0.0207252000000000, -0.0491439700000000, -0.0057993200000000 ] - [ -0.0206205500000000, -0.0487891000000000, -0.0057867600000000 ] - [ -0.0207010700000000, 0.0491969500000000, -0.0058099400000000 ] - [ -0.0205816800000000, 0.0489988000000000, -0.0058221600000000 ] - [ 0.0198244900000000, 0.0489031700000000, 0.0064024900000000 ] - [ 0.0208383900000000, 0.0492277100000000, 0.0056732100000000 ] - [ 0.0445916200000000, -0.0198683200000000, -0.0213760400000000 ] - [ 0.0432793700000000, -0.0187510000000000, -0.0208332400000000 ] - [ -0.0435895800000000, -0.0189358600000000, 0.0209625600000000 ] - [ -0.0436122100000000, -0.0188615800000000, 0.0208897000000000 ] - [ -0.0435552500000000, 0.0190396700000000, 0.0209407600000000 ] - [ -0.0436352200000000, 0.0188375800000000, 0.0209214700000000 ] - [ 0.0437123400000000, 0.0183811900000000, -0.0205075200000000 ] - [ 0.0435908300000000, 0.0190925600000000, -0.0210263200000000 ] - [ 0.0435766700000000, -0.0189883100000000, -0.0269430500000000 ] - [ 0.0435558100000000, -0.0187604600000000, -0.0269158300000000 ] - [ -0.0433570400000000, -0.0188191200000000, 0.0268810700000000 ] - [ -0.0434804400000000, -0.0183681200000000, 0.0269719900000000 ] - [ -0.0432441800000000, 0.0190504600000000, 0.0269540800000000 ] - [ -0.0442879200000000, 0.0185776400000000, 0.0267281500000000 ] - [ 0.0436300100000000, 0.0187839000000000, -0.0268219200000000 ] - [ 0.0435411800000000, 0.0189159200000000, -0.0269365900000000 ] - [ 0.0160499400000000, -0.0336511800000000, 0.0316358400000000 ] - [ 0.0158697900000000, -0.0335598100000000, 0.0314031100000000 ] - [ -0.0158725400000000, 0.0343243700000000, -0.0310733100000000 ] - [ -0.0163731800000000, 0.0347289800000000, -0.0287974400000000 ] - [ 0.0158251800000000, 0.0334574200000000, 0.0314469400000000 ] - [ 0.0158784700000000, 0.0336544500000000, 0.0313579200000000 ] - [ 0.0201415600000000, -0.0500296400000000, 0.0052526700000000 ] - [ 0.0208604200000000, -0.0489688400000000, 0.0060296500000000 ] - [ 0.0788816100000000, 0.0155726900000000, -0.0147279500000000 ] - [ 0.0792611300000000, 0.0154782400000000, -0.0137838500000000 ] - [ 0.1315042400000000, 0.0057676500000000, 0.0082924200000000 ] - [ 0.1317299100000000, 0.0057585800000000, 0.0083606200000000 ] - [ 0.1315508900000000, -0.0058141000000000, 0.0083201500000000 ] - [ 0.1316856200000000, -0.0058528800000000, 0.0081330500000000 ] - [ -0.1318139000000000, -0.0055917500000000, -0.0082190000000000 ] - [ -0.1316382700000000, -0.0059218600000000, -0.0082923600000000 ] - [ -0.1316418500000000, 0.0060739800000000, -0.0083639000000000 ] - [ -0.1315867500000000, 0.0055976200000000, -0.0082970400000000 ] - [ -0.0790429500000000, 0.0158080600000000, 0.0143702700000000 ] - [ -0.0790799100000000, 0.0157387700000000, 0.0143539300000000 ] - [ -0.0790451700000000, -0.0157125100000000, 0.0144113400000000 ] - [ -0.0790235500000000, -0.0158030900000000, 0.0143822500000000 ] - [ 0.0789755800000000, -0.0159897100000000, -0.0144000500000000 ] - [ 0.0776325900000000, -0.0157787500000000, -0.0137811500000000 ] - [ -0.0243889000000000, -0.0058254800000000, -0.0642305400000000 ] - [ -0.0245010700000000, -0.0061502000000000, -0.0641125400000000 ] - [ 0.0245556500000000, -0.0060309600000000, 0.0640516800000000 ] - [ 0.0244743300000000, -0.0059879000000000, 0.0641832300000000 ] - [ 0.0244964300000000, 0.0059997700000000, 0.0641571000000000 ] - [ 0.0244268100000000, 0.0060183900000000, 0.0640079900000000 ] - [ -0.0246948000000000, 0.0107602000000000, -0.0667313100000000 ] - [ -0.0242935400000000, 0.0057388600000000, -0.0647201000000000 ] - [ -0.0210351500000000, -0.1934212900000000, 0.0707090500000000 ] - [ -0.0212264800000000, -0.1940893000000000, 0.0709034400000000 ] - [ 0.0211150900000000, -0.1935611800000000, -0.0707877200000000 ] - [ 0.0211531600000000, -0.1936293900000000, -0.0707917700000000 ] - [ 0.0211341800000000, 0.1935147900000000, -0.0707870200000000 ] - [ 0.0211586900000000, 0.1937133800000000, -0.0708643600000000 ] - [ -0.0195004300000000, 0.1958805100000000, 0.0727345200000000 ] - [ -0.0210496100000000, 0.1936019300000000, 0.0711228900000000 ] - [ 0.0570832600000000, -0.0155453400000000, -0.0082901300000000 ] - [ 0.0567097100000000, -0.0155018600000000, -0.0080982800000000 ] - [ -0.0563664100000000, -0.0153544300000000, 0.0074963500000000 ] - [ -0.0568718600000000, -0.0156085300000000, 0.0082093100000000 ] - [ -0.0566917700000000, 0.0157930900000000, 0.0082958500000000 ] - [ -0.0568828800000000, 0.0154657900000000, 0.0082118500000000 ] - [ 0.0568462200000000, 0.0153006800000000, -0.0081989300000000 ] - [ 0.0573971100000000, 0.0156085100000000, -0.0078868000000000 ] - [ -0.0094419200000000, 0.2018618200000000, 0.0796413800000000 ] - [ -0.0096561800000000, 0.2021810100000000, 0.0797878000000000 ] - [ 0.0095073100000000, 0.2020890000000000, -0.0798085100000000 ] - [ 0.0095902000000000, 0.2020225000000000, -0.0797828100000000 ] - [ 0.0093685100000000, -0.2019630000000000, -0.0796933200000000 ] - [ 0.0095711900000000, -0.2020956300000000, -0.0798053800000000 ] - [ -0.0096580700000000, -0.2020724700000000, 0.0795678900000000 ] - [ -0.0098122600000000, -0.2009933600000000, 0.0790162600000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0065531800000000, 0.0072294400000000, -0.0167194700000000 ] - [ -0.0066007700000000, 0.0071986300000000, -0.0167486000000000 ] - [ -0.0062234700000000, -0.0072937300000000, -0.0165885900000000 ] - [ -0.0066506000000000, -0.0072880500000000, -0.0167801000000000 ] - [ 0.0066335300000000, -0.0072596800000000, 0.0167993900000000 ] - [ 0.0066388700000000, -0.0071874800000000, 0.0166849000000000 ] - [ 0.0070857600000000, 0.0061004000000000, 0.0162156600000000 ] - [ 0.0059613600000000, 0.0059400900000000, 0.0173616400000000 ] - [ -0.0014928300000000, 0.0000045000000000, -0.0053287500000000 ] - [ -0.0014907300000000, -0.0003555300000000, -0.0054208300000000 ] - [ 0.0014401100000000, -0.0002475600000000, 0.0053961000000000 ] - [ 0.0015614100000000, -0.0002670400000000, 0.0053907400000000 ] - [ 0.0014620300000000, 0.0002628600000000, 0.0053896000000000 ] - [ 0.0016116500000000, 0.0002769400000000, 0.0053789500000000 ] - [ -0.0015377900000000, 0.0003267000000000, -0.0054270100000000 ] - [ -0.0015171500000000, 0.0002310500000000, -0.0052692900000000 ] - [ 0.0120427500000000, 0.0034470400000000, 0.0026071400000000 ] - [ 0.0116599100000000, -0.0068145300000000, 0.0015281200000000 ] - [ -0.0116301000000000, -0.0066819100000000, -0.0015247200000000 ] - [ -0.0116749400000000, -0.0066817200000000, -0.0015517800000000 ] - [ -0.0116426000000000, 0.0066797600000000, -0.0015700800000000 ] - [ -0.0117994400000000, 0.0066882900000000, -0.0015626000000000 ] - [ 0.0116994900000000, 0.0066926100000000, 0.0015567200000000 ] - [ 0.0116342900000000, 0.0066383400000000, 0.0016151800000000 ] - [ -0.0000510000000000, -0.0040225300000000, 0.0088900100000000 ] - [ -0.0000165100000000, -0.0040689800000000, 0.0088718400000000 ] - [ 0.0000187000000000, -0.0041787100000000, -0.0088696100000000 ] - [ -0.0000044500000000, -0.0039423700000000, -0.0089211900000000 ] - [ -0.0002845000000000, 0.0038266400000000, -0.0088956600000000 ] - [ 0.0002160900000000, 0.0038710300000000, -0.0089747200000000 ] - [ -0.0000310100000000, 0.0040428800000000, 0.0088732700000000 ] - [ -0.0000229400000000, 0.0040412500000000, 0.0089121300000000 ] - [ -0.0156428100000000, -0.0337533100000000, -0.0315775000000000 ] - [ -0.0163786300000000, -0.0333649200000000, -0.0309602000000000 ] - [ -0.0206343800000000, -0.0491481000000000, -0.0057520600000000 ] - [ -0.0207360700000000, -0.0495003600000000, -0.0057646800000000 ] - [ -0.0206577600000000, 0.0490979900000000, -0.0057405000000000 ] - [ -0.0207778900000000, 0.0492987600000000, -0.0057270200000000 ] - [ 0.0215305200000000, 0.0493898900000000, 0.0051486100000000 ] - [ 0.0205204300000000, 0.0490670800000000, 0.0058787600000000 ] - [ 0.0425921300000000, -0.0179944700000000, -0.0205277800000000 ] - [ 0.0439054100000000, -0.0191065100000000, -0.0210715400000000 ] - [ -0.0435911700000000, -0.0189207800000000, 0.0209417900000000 ] - [ -0.0435681200000000, -0.0189941000000000, 0.0210143700000000 ] - [ -0.0436258800000000, 0.0188195100000000, 0.0209640300000000 ] - [ -0.0435451100000000, 0.0190220500000000, 0.0209835700000000 ] - [ 0.0434681700000000, 0.0194776700000000, -0.0213958400000000 ] - [ 0.0435893100000000, 0.0187648900000000, -0.0208785600000000 ] - [ 0.0435059000000000, -0.0186670600000000, -0.0268430600000000 ] - [ 0.0435267200000000, -0.0188938700000000, -0.0268692300000000 ] - [ -0.0437254400000000, -0.0188345400000000, 0.0269040900000000 ] - [ -0.0436001300000000, -0.0192834700000000, 0.0268161800000000 ] - [ -0.0438393900000000, 0.0186067400000000, 0.0268309300000000 ] - [ -0.0427921700000000, 0.0190779000000000, 0.0270585500000000 ] - [ 0.0434528600000000, 0.0188724800000000, -0.0269636500000000 ] - [ 0.0435406100000000, 0.0187399500000000, -0.0268482700000000 ] - [ 0.0157014500000000, -0.0335443000000000, 0.0311393600000000 ] - [ 0.0158811700000000, -0.0336333100000000, 0.0313712500000000 ] - [ -0.0158799500000000, 0.0328649200000000, -0.0316997900000000 ] - [ -0.0153713600000000, 0.0324685500000000, -0.0340066700000000 ] - [ 0.0159249800000000, 0.0337366800000000, 0.0313275500000000 ] - [ 0.0158726200000000, 0.0335412400000000, 0.0314164500000000 ] - [ 0.0212153900000000, -0.0482680900000000, 0.0062975800000000 ] - [ 0.0204951800000000, -0.0493242200000000, 0.0055177900000000 ] - [ 0.0792247500000000, 0.0159597500000000, -0.0140019900000000 ] - [ 0.0788456800000000, 0.0160560400000000, -0.0149477100000000 ] - [ 0.1316568700000000, 0.0058333000000000, 0.0083413900000000 ] - [ 0.1314300300000000, 0.0058425000000000, 0.0082733100000000 ] - [ 0.1316093900000000, -0.0057851500000000, 0.0083137300000000 ] - [ 0.1314756000000000, -0.0057461000000000, 0.0084994400000000 ] - [ -0.1313485800000000, -0.0060064100000000, -0.0084138400000000 ] - [ -0.1315227900000000, -0.0056774800000000, -0.0083414700000000 ] - [ -0.1315201200000000, 0.0055273100000000, -0.0082705300000000 ] - [ -0.1315727800000000, 0.0060038700000000, -0.0083360900000000 ] - [ -0.0790645200000000, 0.0157248000000000, 0.0143601500000000 ] - [ -0.0790270400000000, 0.0157940100000000, 0.0143765900000000 ] - [ -0.0790618100000000, -0.0158182600000000, 0.0143187500000000 ] - [ -0.0790836100000000, -0.0157280900000000, 0.0143476400000000 ] - [ 0.0791303500000000, -0.0155403300000000, -0.0143303700000000 ] - [ 0.0804706400000000, -0.0157419600000000, -0.0149526400000000 ] - [ -0.0245612200000000, -0.0062204900000000, -0.0640451900000000 ] - [ -0.0244497500000000, -0.0058956600000000, -0.0641614600000000 ] - [ 0.0243958100000000, -0.0060156700000000, 0.0642229500000000 ] - [ 0.0244764400000000, -0.0060585100000000, 0.0640918000000000 ] - [ 0.0244535300000000, 0.0060483400000000, 0.0641186200000000 ] - [ 0.0245218500000000, 0.0060298000000000, 0.0642660900000000 ] - [ -0.0242446500000000, 0.0014340900000000, -0.0616489000000000 ] - [ -0.0246594000000000, 0.0063111600000000, -0.0635466400000000 ] - [ -0.0212073800000000, -0.1937221700000000, 0.0708772800000000 ] - [ -0.0210166800000000, -0.1930535700000000, 0.0706823200000000 ] - [ 0.0211272300000000, -0.1935833600000000, -0.0707966500000000 ] - [ 0.0210888600000000, -0.1935156900000000, -0.0707927800000000 ] - [ 0.0211083600000000, 0.1936322900000000, -0.0707974500000000 ] - [ 0.0210815700000000, 0.1934334000000000, -0.0707190700000000 ] - [ -0.0227121800000000, 0.1912985300000000, 0.0688941900000000 ] - [ -0.0211920400000000, 0.1935454600000000, 0.0704636300000000 ] - [ 0.0566491000000000, -0.0155610900000000, -0.0080990900000000 ] - [ 0.0570228000000000, -0.0156048800000000, -0.0082917400000000 ] - [ -0.0573399700000000, -0.0157480800000000, 0.0088720500000000 ] - [ -0.0568599200000000, -0.0154983300000000, 0.0081802400000000 ] - [ -0.0570392000000000, 0.0153166700000000, 0.0080955600000000 ] - [ -0.0568494900000000, 0.0156423200000000, 0.0081775600000000 ] - [ 0.0568862900000000, 0.0158092500000000, -0.0081898500000000 ] - [ 0.0563376500000000, 0.0155027600000000, -0.0084969000000000 ] - [ -0.0097342600000000, 0.2021998500000000, 0.0799670400000000 ] - [ -0.0095205500000000, 0.2018787500000000, 0.0798207000000000 ] - [ 0.0096683100000000, 0.2019720600000000, -0.0797999400000000 ] - [ 0.0095852900000000, 0.2020380100000000, -0.0798253900000000 ] - [ 0.0098063200000000, -0.2020955700000000, -0.0799140100000000 ] - [ 0.0096050300000000, -0.2019629300000000, -0.0798031300000000 ] - [ -0.0095160000000000, -0.2019862600000000, 0.0800452100000000 ] - [ -0.0093523200000000, -0.2030918400000000, 0.0806137500000000 ]- atom: 17 displacement: [ -0.0000427683518374, 0.0000000000000000, 0.0099999085429858 ] forces: - [ -0.0066811700000000, 0.0072017400000000, -0.0165117300000000 ] - [ -0.0066842800000000, 0.0072243800000000, -0.0166535000000000 ] - [ -0.0063150600000000, -0.0074660700000000, -0.0168456800000000 ] - [ -0.0065168300000000, -0.0071492500000000, -0.0169150900000000 ] - [ 0.0065477200000000, -0.0072478600000000, 0.0169401000000000 ] - [ 0.0065067600000000, -0.0072511200000000, 0.0171000000000000 ] - [ 0.0064044200000000, 0.0077083200000000, 0.0164718700000000 ] - [ 0.0064087100000000, 0.0067381800000000, 0.0165575000000000 ] - [ -0.0011931700000000, -0.0003620400000000, -0.0056268800000000 ] - [ -0.0014211900000000, -0.0002649500000000, -0.0055707400000000 ] - [ 0.0015356500000000, -0.0002584300000000, 0.0054876200000000 ] - [ 0.0015496100000000, -0.0003150200000000, 0.0054811300000000 ] - [ 0.0014444500000000, 0.0002795200000000, 0.0052904500000000 ] - [ 0.0012628400000000, 0.0002372400000000, 0.0052905200000000 ] - [ -0.0014898000000000, 0.0002174600000000, -0.0052254500000000 ] - [ -0.0014994600000000, 0.0003177200000000, -0.0052048100000000 ] - [ 0.0155054800000000, -0.0077268800000000, -0.0141257400000000 ] - [ 0.0116468500000000, -0.0066575900000000, 0.0012647500000000 ] - [ -0.0117088500000000, -0.0066792500000000, -0.0013206900000000 ] - [ -0.0116960100000000, -0.0066520000000000, -0.0013205700000000 ] - [ -0.0116251500000000, 0.0066979900000000, -0.0017314700000000 ] - [ -0.0115063300000000, 0.0066899800000000, -0.0020200500000000 ] - [ 0.0116439400000000, 0.0066839900000000, 0.0018013100000000 ] - [ 0.0116378800000000, 0.0067426800000000, 0.0018054400000000 ] - [ -0.0000612900000000, -0.0040451100000000, 0.0086921100000000 ] - [ -0.0000770100000000, -0.0040337900000000, 0.0086839700000000 ] - [ 0.0000363900000000, -0.0040419300000000, -0.0086790500000000 ] - [ 0.0000488600000000, -0.0040594500000000, -0.0085943600000000 ] - [ 0.0000017600000000, 0.0040454400000000, -0.0093369600000000 ] - [ 0.0000771000000000, 0.0041363200000000, -0.0092718000000000 ] - [ 0.0000499600000000, 0.0040326500000000, 0.0092019300000000 ] - [ 0.0000341900000000, 0.0040569500000000, 0.0090921300000000 ] - [ -0.0158915500000000, -0.0337413300000000, -0.0311839300000000 ] - [ -0.0159360000000000, -0.0336578800000000, -0.0311364400000000 ] - [ -0.0205533100000000, -0.0491897800000000, -0.0057845500000000 ] - [ -0.0200373000000000, -0.0485019300000000, -0.0055137300000000 ] - [ -0.0207923700000000, 0.0492216100000000, -0.0058429000000000 ] - [ -0.0208157700000000, 0.0486454300000000, -0.0055919300000000 ] - [ 0.0204739600000000, 0.0493925600000000, 0.0071266500000000 ] - [ 0.0205587500000000, 0.0491350200000000, 0.0056879900000000 ] - [ 0.0430535200000000, -0.0192510600000000, -0.0200861200000000 ] - [ 0.0435862400000000, -0.0188296200000000, -0.0208148200000000 ] - [ -0.0436213500000000, -0.0188904100000000, 0.0209055100000000 ] - [ -0.0436174100000000, -0.0187368500000000, 0.0209156300000000 ] - [ -0.0435162100000000, 0.0189904900000000, 0.0210235500000000 ] - [ -0.0435949900000000, 0.0190243400000000, 0.0209872100000000 ] - [ 0.0435361600000000, 0.0188586300000000, -0.0206740300000000 ] - [ 0.0436303300000000, 0.0191042800000000, -0.0208178900000000 ] - [ 0.0434606600000000, -0.0188725900000000, -0.0267937700000000 ] - [ 0.0434399000000000, -0.0188602700000000, -0.0267617400000000 ] - [ -0.0435132300000000, -0.0189567700000000, 0.0269553800000000 ] - [ -0.0434608200000000, -0.0186210100000000, 0.0273044700000000 ] - [ -0.0432511700000000, 0.0187868600000000, 0.0270718600000000 ] - [ -0.0432082400000000, 0.0188508000000000, 0.0270382800000000 ] - [ 0.0435875600000000, 0.0188082100000000, -0.0269776000000000 ] - [ 0.0436270200000000, 0.0188085500000000, -0.0269370900000000 ] - [ 0.0153445400000000, -0.0331912800000000, 0.0312836400000000 ] - [ 0.0158178900000000, -0.0336711000000000, 0.0314813000000000 ] - [ -0.0160738000000000, 0.0330719300000000, -0.0311793500000000 ] - [ -0.0169213700000000, 0.0360974400000000, -0.0285766700000000 ] - [ 0.0160510700000000, 0.0334794700000000, 0.0313559800000000 ] - [ 0.0160683800000000, 0.0335836900000000, 0.0313398800000000 ] - [ 0.0204681000000000, -0.0496139200000000, 0.0064900200000000 ] - [ 0.0205544300000000, -0.0491311000000000, 0.0058873900000000 ] - [ 0.0789646900000000, 0.0156370400000000, -0.0146918000000000 ] - [ 0.0789379800000000, 0.0158923200000000, -0.0147629500000000 ] - [ 0.1314562100000000, 0.0057817500000000, 0.0083897700000000 ] - [ 0.1314602700000000, 0.0058186400000000, 0.0083483900000000 ] - [ 0.1315751900000000, -0.0057947200000000, 0.0081715800000000 ] - [ 0.1317161900000000, -0.0057951100000000, 0.0080170000000000 ] - [ -0.1314721100000000, -0.0056942100000000, -0.0084495900000000 ] - [ -0.1314807200000000, -0.0059690900000000, -0.0084325900000000 ] - [ -0.1317861500000000, 0.0058297300000000, -0.0085436500000000 ] - [ -0.1318276000000000, 0.0057820100000000, -0.0085250200000000 ] - [ -0.0787508500000000, 0.0158228000000000, 0.0144905700000000 ] - [ -0.0790140300000000, 0.0158068800000000, 0.0144140600000000 ] - [ -0.0790694700000000, -0.0157267100000000, 0.0142344600000000 ] - [ -0.0790690500000000, -0.0157652500000000, 0.0142924000000000 ] - [ 0.0791506800000000, -0.0156423400000000, -0.0143549100000000 ] - [ 0.0766357300000000, -0.0149396400000000, -0.0136656100000000 ] - [ -0.0243939400000000, -0.0059866600000000, -0.0645014700000000 ] - [ -0.0243351100000000, -0.0060503100000000, -0.0644266500000000 ] - [ 0.0245194700000000, -0.0061038400000000, 0.0642665400000000 ] - [ 0.0244760200000000, -0.0058747600000000, 0.0642881000000000 ] - [ 0.0244315600000000, 0.0060307700000000, 0.0640663900000000 ] - [ 0.0242078000000000, 0.0060059000000000, 0.0637103300000000 ] - [ -0.0245218900000000, 0.0029120500000000, -0.0625050100000000 ] - [ -0.0243640700000000, 0.0057869200000000, -0.0641809100000000 ] - [ -0.0210315200000000, -0.1935955400000000, 0.0704949200000000 ] - [ -0.0210657100000000, -0.1935295700000000, 0.0705794900000000 ] - [ 0.0210914300000000, -0.1936087400000000, -0.0707370100000000 ] - [ 0.0210332100000000, -0.1937748500000000, -0.0707380000000000 ] - [ 0.0211252100000000, 0.1935035100000000, -0.0708477000000000 ] - [ 0.0213227600000000, 0.1935875700000000, -0.0710651000000000 ] - [ -0.0187603400000000, 0.1957677000000000, 0.0736714800000000 ] - [ -0.0212806500000000, 0.1934409400000000, 0.0704697600000000 ] - [ 0.0570388800000000, -0.0157317700000000, -0.0084896300000000 ] - [ 0.0569991500000000, -0.0154268000000000, -0.0083490400000000 ] - [ -0.0618810500000000, -0.0160738100000000, 0.0118837500000000 ] - [ -0.0568341600000000, -0.0155262400000000, 0.0082397900000000 ] - [ -0.0569109400000000, 0.0157095500000000, 0.0079860500000000 ] - [ -0.0570075100000000, 0.0153548200000000, 0.0079644700000000 ] - [ 0.0567977900000000, 0.0157178200000000, -0.0082894100000000 ] - [ 0.0588667800000000, 0.0159835700000000, -0.0055140700000000 ] - [ -0.0095691600000000, 0.2021619600000000, 0.0797700100000000 ] - [ -0.0093780800000000, 0.2019265700000000, 0.0794250700000000 ] - [ 0.0095568800000000, 0.2020959000000000, -0.0797892100000000 ] - [ 0.0095119400000000, 0.2020215800000000, -0.0797901900000000 ] - [ 0.0098398000000000, -0.2021168500000000, -0.0799890200000000 ] - [ 0.0095830400000000, -0.2020227600000000, -0.0797980500000000 ] - [ -0.0098868800000000, -0.2018704500000000, 0.0795197800000000 ] - [ -0.0089283000000000, -0.2027005500000000, 0.0813540100000000 ]- atom: 17 displacement: [ 0.0000427683518374, 0.0000000000000000, -0.0099999085429858 ] forces: - [ -0.0065062500000000, 0.0072467200000000, -0.0169939400000000 ] - [ -0.0065027400000000, 0.0072241200000000, -0.0168521700000000 ] - [ -0.0068719800000000, -0.0069838400000000, -0.0166586400000000 ] - [ -0.0066700000000000, -0.0073025400000000, -0.0165890600000000 ] - [ 0.0066392900000000, -0.0072007300000000, 0.0165650900000000 ] - [ 0.0066799600000000, -0.0071977300000000, 0.0164049700000000 ] - [ 0.0067822100000000, 0.0067421400000000, 0.0170311200000000 ] - [ 0.0067784000000000, 0.0077151000000000, 0.0169451400000000 ] - [ -0.0017988100000000, -0.0001881300000000, -0.0051468500000000 ] - [ -0.0015698100000000, -0.0002849400000000, -0.0052029200000000 ] - [ 0.0014558500000000, -0.0002925200000000, 0.0052858700000000 ] - [ 0.0014420700000000, -0.0002343900000000, 0.0052925500000000 ] - [ 0.0015469100000000, 0.0002715100000000, 0.0054830500000000 ] - [ 0.0017283200000000, 0.0003134200000000, 0.0054822500000000 ] - [ -0.0015019200000000, 0.0003336300000000, -0.0055481500000000 ] - [ -0.0014926000000000, 0.0002334100000000, -0.0055688700000000 ] - [ 0.0078813900000000, -0.0056606900000000, 0.0172382800000000 ] - [ 0.0116811900000000, -0.0066997400000000, 0.0018361700000000 ] - [ -0.0116201400000000, -0.0066773300000000, -0.0017808500000000 ] - [ -0.0116325400000000, -0.0067041100000000, -0.0017808900000000 ] - [ -0.0117032200000000, 0.0066593500000000, -0.0013697100000000 ] - [ -0.0118207600000000, 0.0066673000000000, -0.0010800100000000 ] - [ 0.0116849800000000, 0.0066726500000000, 0.0013002600000000 ] - [ 0.0116909100000000, 0.0066142800000000, 0.0012963000000000 ] - [ 0.0000079800000000, -0.0040544900000000, 0.0091071100000000 ] - [ 0.0000236300000000, -0.0040658300000000, 0.0091151200000000 ] - [ 0.0000167100000000, -0.0040597600000000, -0.0091198000000000 ] - [ 0.0000042800000000, -0.0040424800000000, -0.0092047000000000 ] - [ 0.0000508700000000, 0.0040539700000000, -0.0084622100000000 ] - [ -0.0000241500000000, 0.0039639800000000, -0.0085271800000000 ] - [ -0.0001030900000000, 0.0040691600000000, 0.0085971300000000 ] - [ -0.0000873900000000, 0.0040448900000000, 0.0087072600000000 ] - [ -0.0158579800000000, -0.0334532300000000, -0.0315895900000000 ] - [ -0.0158127200000000, -0.0335375200000000, -0.0316369500000000 ] - [ -0.0208058000000000, -0.0491036000000000, -0.0057660800000000 ] - [ -0.0213191600000000, -0.0497882700000000, -0.0060400000000000 ] - [ -0.0205670100000000, 0.0490728000000000, -0.0057082400000000 ] - [ -0.0205441200000000, 0.0496536200000000, -0.0059559600000000 ] - [ 0.0208808400000000, 0.0489070000000000, 0.0044440900000000 ] - [ 0.0207996000000000, 0.0491590800000000, 0.0058634800000000 ] - [ 0.0441330000000000, -0.0186030500000000, -0.0218242700000000 ] - [ 0.0435942900000000, -0.0190275200000000, -0.0210904500000000 ] - [ -0.0435594100000000, -0.0189671900000000, 0.0209989500000000 ] - [ -0.0435629900000000, -0.0191197300000000, 0.0209876300000000 ] - [ -0.0436639200000000, 0.0188670400000000, 0.0208809000000000 ] - [ -0.0435851100000000, 0.0188332400000000, 0.0209185500000000 ] - [ 0.0436432400000000, 0.0190023900000000, -0.0212311700000000 ] - [ 0.0435503200000000, 0.0187546900000000, -0.0210847900000000 ] - [ 0.0436214400000000, -0.0187834700000000, -0.0269922100000000 ] - [ 0.0436425900000000, -0.0187946400000000, -0.0270233600000000 ] - [ -0.0435700000000000, -0.0186981300000000, 0.0268295400000000 ] - [ -0.0436198200000000, -0.0190311600000000, 0.0264825100000000 ] - [ -0.0438315600000000, 0.0188673500000000, 0.0267148200000000 ] - [ -0.0438763700000000, 0.0188044100000000, 0.0267488500000000 ] - [ 0.0434952600000000, 0.0188473100000000, -0.0268062900000000 ] - [ 0.0434552700000000, 0.0188469200000000, -0.0268482700000000 ] - [ 0.0164086000000000, -0.0340038300000000, 0.0314949200000000 ] - [ 0.0159332700000000, -0.0335230200000000, 0.0312932800000000 ] - [ -0.0156768300000000, 0.0341189300000000, -0.0315987000000000 ] - [ -0.0148114600000000, 0.0310526600000000, -0.0342442700000000 ] - [ 0.0156994000000000, 0.0337144300000000, 0.0314179000000000 ] - [ 0.0156827300000000, 0.0336114600000000, 0.0314343600000000 ] - [ 0.0208923700000000, -0.0486767500000000, 0.0050540900000000 ] - [ 0.0208054300000000, -0.0491628600000000, 0.0056630400000000 ] - [ 0.0791429000000000, 0.0158968000000000, -0.0140359700000000 ] - [ 0.0791704500000000, 0.0156388300000000, -0.0139651100000000 ] - [ 0.1317041100000000, 0.0058183500000000, 0.0082441300000000 ] - [ 0.1316997000000000, 0.0057816500000000, 0.0082853600000000 ] - [ 0.1315857400000000, -0.0058053300000000, 0.0084628200000000 ] - [ 0.1314460500000000, -0.0058046800000000, 0.0086161800000000 ] - [ -0.1316888400000000, -0.0059060900000000, -0.0081831600000000 ] - [ -0.1316795600000000, -0.0056310700000000, -0.0082011000000000 ] - [ -0.1313747500000000, 0.0057701800000000, -0.0080911400000000 ] - [ -0.1313333600000000, 0.0058185700000000, -0.0081097200000000 ] - [ -0.0793550700000000, 0.0157090600000000, 0.0142391300000000 ] - [ -0.0790926100000000, 0.0157253000000000, 0.0143162100000000 ] - [ -0.0790376800000000, -0.0158050800000000, 0.0144955700000000 ] - [ -0.0790379300000000, -0.0157669600000000, 0.0144376300000000 ] - [ 0.0789560700000000, -0.0158895900000000, -0.0143754400000000 ] - [ 0.0815014500000000, -0.0166066300000000, -0.0150756400000000 ] - [ -0.0245569800000000, -0.0060605100000000, -0.0637738500000000 ] - [ -0.0246147300000000, -0.0059968400000000, -0.0638483500000000 ] - [ 0.0244305300000000, -0.0059433200000000, 0.0640087800000000 ] - [ 0.0244740400000000, -0.0061715500000000, 0.0639872500000000 ] - [ 0.0245189600000000, 0.0060163800000000, 0.0642089500000000 ] - [ 0.0247408000000000, 0.0060412000000000, 0.0645648100000000 ] - [ -0.0244211800000000, 0.0091993600000000, -0.0657841100000000 ] - [ -0.0245865600000000, 0.0062602200000000, -0.0640940300000000 ] - [ -0.0212114400000000, -0.1935499000000000, 0.0710897800000000 ] - [ -0.0211766500000000, -0.1936146300000000, 0.0710040500000000 ] - [ 0.0211510700000000, -0.1935363800000000, -0.0708472600000000 ] - [ 0.0212097200000000, -0.1933694400000000, -0.0708458400000000 ] - [ 0.0211172100000000, 0.1936419900000000, -0.0707364600000000 ] - [ 0.0209169600000000, 0.1935583100000000, -0.0705178700000000 ] - [ -0.0234287100000000, 0.1914404300000000, 0.0679661900000000 ] - [ -0.0209631100000000, 0.1937053500000000, 0.0711139200000000 ] - [ 0.0566941400000000, -0.0153767600000000, -0.0079013000000000 ] - [ 0.0567335300000000, -0.0156810600000000, -0.0080413600000000 ] - [ -0.0519659400000000, -0.0150506700000000, 0.0045535700000000 ] - [ -0.0568981100000000, -0.0155814300000000, 0.0081498600000000 ] - [ -0.0568217500000000, 0.0153980900000000, 0.0084048000000000 ] - [ -0.0567250400000000, 0.0157534300000000, 0.0084257500000000 ] - [ 0.0569336100000000, 0.0153898600000000, -0.0080993300000000 ] - [ 0.0547914700000000, 0.0150922500000000, -0.0109630400000000 ] - [ -0.0096069400000000, 0.2018985100000000, 0.0798389900000000 ] - [ -0.0097990600000000, 0.2021322100000000, 0.0801829700000000 ] - [ 0.0096199400000000, 0.2019632400000000, -0.0798189600000000 ] - [ 0.0096643600000000, 0.2020376400000000, -0.0798179600000000 ] - [ 0.0093340800000000, -0.2019428800000000, -0.0796186700000000 ] - [ 0.0095927400000000, -0.2020366500000000, -0.0798103000000000 ] - [ -0.0092908100000000, -0.2021882900000000, 0.0800907200000000 ] - [ -0.0102257300000000, -0.2013872400000000, 0.0782804900000000 ]- atom: 25 displacement: [ 0.0099999992956673, 0.0000000000000000, 0.0000037532191477 ] forces: - [ -0.0065812900000000, 0.0072109700000000, -0.0167542400000000 ] - [ -0.0065627200000000, 0.0072722600000000, -0.0167326900000000 ] - [ -0.0061607500000000, -0.0072743800000000, -0.0169437300000000 ] - [ -0.0065475500000000, -0.0072207400000000, -0.0167596000000000 ] - [ 0.0066822700000000, -0.0072146800000000, 0.0167844100000000 ] - [ 0.0066538200000000, -0.0072180100000000, 0.0167711500000000 ] - [ 0.0068402300000000, 0.0071990500000000, 0.0166809500000000 ] - [ 0.0066245300000000, 0.0072282800000000, 0.0167063800000000 ] - [ -0.0014205900000000, -0.0000148700000000, -0.0055428400000000 ] - [ -0.0015149900000000, -0.0004077800000000, -0.0054352000000000 ] - [ 0.0013908500000000, -0.0002658100000000, 0.0051150800000000 ] - [ 0.0014570900000000, -0.0002759700000000, 0.0054175200000000 ] - [ 0.0012020500000000, -0.0001948600000000, 0.0056232900000000 ] - [ 0.0012740800000000, 0.0006669400000000, 0.0055629200000000 ] - [ -0.0015439300000000, 0.0002928500000000, -0.0051025400000000 ] - [ -0.0015311800000000, 0.0002843300000000, -0.0053745100000000 ] - [ 0.0117161500000000, -0.0066541900000000, 0.0015164200000000 ] - [ 0.0117463400000000, -0.0066890400000000, 0.0015007400000000 ] - [ -0.0116654100000000, -0.0067095100000000, -0.0015287100000000 ] - [ -0.0116755100000000, -0.0066862800000000, -0.0015409600000000 ] - [ -0.0114805200000000, 0.0069924500000000, -0.0015747800000000 ] - [ -0.0115617800000000, 0.0064899200000000, -0.0014998900000000 ] - [ 0.0117697800000000, 0.0066744100000000, 0.0016281900000000 ] - [ 0.0117154100000000, 0.0066827400000000, 0.0016122700000000 ] - [ -0.0113648900000000, -0.0041290400000000, 0.0106355000000000 ] - [ -0.0000396900000000, -0.0040362400000000, 0.0088813700000000 ] - [ 0.0000049900000000, -0.0040763300000000, -0.0088673300000000 ] - [ 0.0000046600000000, -0.0040537700000000, -0.0088723700000000 ] - [ 0.0017314400000000, 0.0037984600000000, -0.0091232900000000 ] - [ -0.0000019500000000, 0.0040646800000000, -0.0089501600000000 ] - [ -0.0000467700000000, 0.0040069800000000, 0.0089128000000000 ] - [ -0.0000818400000000, 0.0041115400000000, 0.0089257000000000 ] - [ -0.0155791100000000, -0.0335412300000000, -0.0314585500000000 ] - [ -0.0157905100000000, -0.0335829700000000, -0.0313604500000000 ] - [ -0.0203148300000000, -0.0490393900000000, -0.0057536700000000 ] - [ -0.0206250700000000, -0.0491694100000000, -0.0057619200000000 ] - [ -0.0206346400000000, 0.0497956700000000, -0.0051658100000000 ] - [ -0.0207566400000000, 0.0490953500000000, -0.0057373100000000 ] - [ 0.0208687400000000, 0.0490798500000000, 0.0057378000000000 ] - [ 0.0208095900000000, 0.0491183200000000, 0.0059223600000000 ] - [ 0.0441785000000000, -0.0186074800000000, -0.0212268400000000 ] - [ 0.0435603700000000, -0.0190995300000000, -0.0209054700000000 ] - [ -0.0439866600000000, -0.0187253700000000, 0.0206467400000000 ] - [ -0.0437471100000000, -0.0189863800000000, 0.0208565500000000 ] - [ -0.0450680000000000, 0.0194809400000000, 0.0221761500000000 ] - [ -0.0432453700000000, 0.0190366300000000, 0.0209406200000000 ] - [ 0.0436242300000000, 0.0190411300000000, -0.0209994700000000 ] - [ 0.0436781800000000, 0.0189811800000000, -0.0208853800000000 ] - [ 0.0421436800000000, -0.0183910900000000, -0.0268003200000000 ] - [ 0.0434506000000000, -0.0188475900000000, -0.0269825100000000 ] - [ -0.0434350600000000, -0.0197387900000000, 0.0268316500000000 ] - [ -0.0436101900000000, -0.0187661100000000, 0.0269391100000000 ] - [ -0.0429103200000000, 0.0185532500000000, 0.0270330900000000 ] - [ -0.0435910600000000, 0.0188432100000000, 0.0270334700000000 ] - [ 0.0431902800000000, 0.0195876700000000, -0.0268437000000000 ] - [ 0.0435015400000000, 0.0187552600000000, -0.0267613200000000 ] - [ 0.0158757800000000, -0.0346180800000000, 0.0319559000000000 ] - [ 0.0157943400000000, -0.0335639300000000, 0.0313417300000000 ] - [ -0.0156786500000000, 0.0335858600000000, -0.0314228500000000 ] - [ -0.0157239900000000, 0.0335863000000000, -0.0313596600000000 ] - [ 0.0161538100000000, 0.0336460000000000, 0.0309964300000000 ] - [ 0.0158513900000000, 0.0337334200000000, 0.0313494800000000 ] - [ 0.0208428700000000, -0.0491696500000000, 0.0057831200000000 ] - [ 0.0207834500000000, -0.0490735000000000, 0.0057531000000000 ] - [ 0.0786387200000000, 0.0157774300000000, -0.0142303100000000 ] - [ 0.0790061700000000, 0.0157909600000000, -0.0143923800000000 ] - [ 0.1333775700000000, 0.0049780400000000, 0.0053419600000000 ] - [ 0.1316491100000000, 0.0058567600000000, 0.0082478500000000 ] - [ 0.1317629100000000, -0.0057089700000000, 0.0083474300000000 ] - [ 0.1318338300000000, -0.0058950500000000, 0.0083097600000000 ] - [ -0.1285028200000000, -0.0056470800000000, -0.0056175800000000 ] - [ -0.1315277300000000, -0.0057958800000000, -0.0083266000000000 ] - [ -0.1315304600000000, 0.0056427500000000, -0.0083673900000000 ] - [ -0.1316208800000000, 0.0060165400000000, -0.0082905100000000 ] - [ -0.0793453900000000, 0.0149039000000000, 0.0147074600000000 ] - [ -0.0787073900000000, 0.0157160800000000, 0.0142921400000000 ] - [ -0.0785396200000000, -0.0158278100000000, 0.0147302900000000 ] - [ -0.0789549600000000, -0.0157554500000000, 0.0143881000000000 ] - [ 0.0788647900000000, -0.0155636300000000, -0.0144208200000000 ] - [ 0.0788966600000000, -0.0159259000000000, -0.0143905200000000 ] - [ -0.0245507700000000, -0.0060246900000000, -0.0641446500000000 ] - [ -0.0245577500000000, -0.0060286900000000, -0.0641568600000000 ] - [ 0.0279366700000000, -0.0055020600000000, 0.0650924600000000 ] - [ 0.0245414200000000, -0.0060593300000000, 0.0641508300000000 ] - [ 0.0243896700000000, 0.0058975700000000, 0.0643456500000000 ] - [ 0.0244582200000000, 0.0061559900000000, 0.0642808300000000 ] - [ -0.0247363700000000, 0.0060343400000000, -0.0640263800000000 ] - [ -0.0245778200000000, 0.0060157400000000, -0.0641183100000000 ] - [ -0.0212847300000000, -0.1937764000000000, 0.0708176000000000 ] - [ -0.0212877200000000, -0.1934722300000000, 0.0707280000000000 ] - [ 0.0226041600000000, -0.1919598400000000, -0.0735664900000000 ] - [ 0.0211258400000000, -0.1936086200000000, -0.0708136300000000 ] - [ 0.0212153200000000, 0.1936190200000000, -0.0708981000000000 ] - [ 0.0212469400000000, 0.1936624200000000, -0.0707675700000000 ] - [ -0.0212179800000000, 0.1935357400000000, 0.0708629100000000 ] - [ -0.0211770600000000, 0.1935526600000000, 0.0707931200000000 ] - [ 0.0564227900000000, -0.0156634700000000, -0.0084715900000000 ] - [ 0.0568382100000000, -0.0155663200000000, -0.0082840100000000 ] - [ -0.0568658400000000, -0.0153885000000000, 0.0081011600000000 ] - [ -0.0570268100000000, -0.0157972500000000, 0.0080642500000000 ] - [ -0.0570923400000000, 0.0155579600000000, 0.0082341200000000 ] - [ -0.0569885800000000, 0.0155347900000000, 0.0081922200000000 ] - [ 0.0566689300000000, 0.0155141700000000, -0.0081545600000000 ] - [ 0.0567336100000000, 0.0155780900000000, -0.0081979400000000 ] - [ -0.0096237000000000, 0.2023088200000000, 0.0797639900000000 ] - [ -0.0096604300000000, 0.2019083200000000, 0.0796836800000000 ] - [ 0.0108351200000000, 0.2007956700000000, -0.0816083300000000 ] - [ 0.0096396800000000, 0.2020595500000000, -0.0798231400000000 ] - [ 0.0095552500000000, -0.2022034300000000, -0.0797669700000000 ] - [ 0.0097635600000000, -0.2020553000000000, -0.0798170900000000 ] - [ -0.0096627300000000, -0.2020286300000000, 0.0798212400000000 ] - [ -0.0096077300000000, -0.2020126800000000, 0.0798107700000000 ]- atom: 25 displacement: [ -0.0099999992956673, 0.0000000000000000, -0.0000037532191477 ] forces: - [ -0.0066046200000000, 0.0072376100000000, -0.0167513700000000 ] - [ -0.0066235300000000, 0.0071755700000000, -0.0167748000000000 ] - [ -0.0070206800000000, -0.0071759800000000, -0.0165672900000000 ] - [ -0.0066384500000000, -0.0072298700000000, -0.0167474200000000 ] - [ 0.0065051200000000, -0.0072337900000000, 0.0167235600000000 ] - [ 0.0065340800000000, -0.0072301900000000, 0.0167355100000000 ] - [ 0.0063480000000000, 0.0072517700000000, 0.0168268300000000 ] - [ 0.0065630300000000, 0.0072215200000000, 0.0168019800000000 ] - [ -0.0015725500000000, -0.0005385800000000, -0.0052277400000000 ] - [ -0.0014773100000000, -0.0001423700000000, -0.0053371400000000 ] - [ 0.0016008800000000, -0.0002839700000000, 0.0056583100000000 ] - [ 0.0015370200000000, -0.0002743200000000, 0.0053557000000000 ] - [ 0.0017944400000000, 0.0007443400000000, 0.0051503800000000 ] - [ 0.0017218700000000, -0.0001155600000000, 0.0052113200000000 ] - [ -0.0014486900000000, 0.0002570100000000, -0.0056705300000000 ] - [ -0.0014611300000000, 0.0002664000000000, -0.0053982800000000 ] - [ 0.0116130100000000, -0.0067031500000000, 0.0015850600000000 ] - [ 0.0115826900000000, -0.0066688200000000, 0.0016007000000000 ] - [ -0.0116616600000000, -0.0066474600000000, -0.0015728400000000 ] - [ -0.0116518500000000, -0.0066705600000000, -0.0015603000000000 ] - [ -0.0118461900000000, 0.0063676500000000, -0.0015267100000000 ] - [ -0.0117655700000000, 0.0068664100000000, -0.0016010800000000 ] - [ 0.0115595500000000, 0.0066823700000000, 0.0014739700000000 ] - [ 0.0116139500000000, 0.0066742400000000, 0.0014897400000000 ] - [ 0.0112235500000000, -0.0040419400000000, 0.0071944200000000 ] - [ -0.0000120400000000, -0.0040640000000000, 0.0089171700000000 ] - [ 0.0000485700000000, -0.0040263600000000, -0.0089308900000000 ] - [ 0.0000487400000000, -0.0040489800000000, -0.0089257500000000 ] - [ -0.0017080800000000, 0.0043079000000000, -0.0086711600000000 ] - [ 0.0000559900000000, 0.0040358300000000, -0.0088482200000000 ] - [ -0.0000046900000000, 0.0040967200000000, 0.0088861300000000 ] - [ 0.0000300800000000, 0.0039925000000000, 0.0088738100000000 ] - [ -0.0161702200000000, -0.0336531500000000, -0.0313151400000000 ] - [ -0.0159595800000000, -0.0336111300000000, -0.0314132400000000 ] - [ -0.0210472900000000, -0.0492565800000000, -0.0057978400000000 ] - [ -0.0207335000000000, -0.0491243800000000, -0.0057894700000000 ] - [ -0.0207186800000000, 0.0484975000000000, -0.0063877300000000 ] - [ -0.0206022800000000, 0.0491983900000000, -0.0058138000000000 ] - [ 0.0204914500000000, 0.0492142200000000, 0.0058138800000000 ] - [ 0.0205503600000000, 0.0491757000000000, 0.0056293600000000 ] - [ 0.0430016400000000, -0.0192482700000000, -0.0206818400000000 ] - [ 0.0436209900000000, -0.0187571600000000, -0.0209989800000000 ] - [ -0.0431899600000000, -0.0191305800000000, 0.0212595900000000 ] - [ -0.0434316400000000, -0.0188709800000000, 0.0210484800000000 ] - [ -0.0421193300000000, 0.0183739600000000, 0.0197196900000000 ] - [ -0.0439341800000000, 0.0188240700000000, 0.0209631700000000 ] - [ 0.0435574800000000, 0.0188169800000000, -0.0209045200000000 ] - [ 0.0435036800000000, 0.0188764800000000, -0.0210185900000000 ] - [ 0.0449414000000000, -0.0192658100000000, -0.0269818800000000 ] - [ 0.0436331800000000, -0.0188072500000000, -0.0268026000000000 ] - [ -0.0436490700000000, -0.0179174700000000, 0.0269522500000000 ] - [ -0.0434715700000000, -0.0188891400000000, 0.0268461100000000 ] - [ -0.0441691800000000, 0.0190990500000000, 0.0267532800000000 ] - [ -0.0434903100000000, 0.0188116700000000, 0.0267523300000000 ] - [ 0.0438931500000000, 0.0180653500000000, -0.0269447700000000 ] - [ 0.0435811000000000, 0.0189002900000000, -0.0270248000000000 ] - [ 0.0158754300000000, -0.0325831600000000, 0.0308214600000000 ] - [ 0.0159576100000000, -0.0336293800000000, 0.0314317700000000 ] - [ -0.0160721500000000, 0.0336077100000000, -0.0313515900000000 ] - [ -0.0160267700000000, 0.0336077700000000, -0.0314148000000000 ] - [ 0.0156016000000000, 0.0335473600000000, 0.0317825600000000 ] - [ 0.0159007800000000, 0.0334605600000000, 0.0314244900000000 ] - [ 0.0205169600000000, -0.0491241500000000, 0.0057668700000000 ] - [ 0.0205764700000000, -0.0492199700000000, 0.0057980500000000 ] - [ 0.0794671200000000, 0.0157548600000000, -0.0144980200000000 ] - [ 0.0791016000000000, 0.0157418900000000, -0.0143370800000000 ] - [ 0.1297703000000000, 0.0066348400000000, 0.0113446800000000 ] - [ 0.1315117700000000, 0.0057416800000000, 0.0083867300000000 ] - [ 0.1313987000000000, -0.0058920500000000, 0.0082870800000000 ] - [ 0.1313269800000000, -0.0057037600000000, 0.0083243100000000 ] - [ -0.1347325000000000, -0.0059514300000000, -0.0111093600000000 ] - [ -0.1316325200000000, -0.0058038800000000, -0.0083069400000000 ] - [ -0.1316294100000000, 0.0059571400000000, -0.0082661200000000 ] - [ -0.1315393800000000, 0.0055837200000000, -0.0083426800000000 ] - [ -0.0787675100000000, 0.0166481800000000, 0.0140131100000000 ] - [ -0.0793975300000000, 0.0158162500000000, 0.0144395500000000 ] - [ -0.0795686600000000, -0.0157049500000000, 0.0140027200000000 ] - [ -0.0791520100000000, -0.0157769000000000, 0.0143413900000000 ] - [ 0.0792446500000000, -0.0159695400000000, -0.0143085400000000 ] - [ 0.0792125000000000, -0.0156053000000000, -0.0143388300000000 ] - [ -0.0243984900000000, -0.0060226700000000, -0.0641305500000000 ] - [ -0.0243914300000000, -0.0060185000000000, -0.0641185100000000 ] - [ 0.0211102000000000, -0.0065148900000000, 0.0632542900000000 ] - [ 0.0244107800000000, -0.0059889000000000, 0.0641250000000000 ] - [ 0.0245618600000000, 0.0061512200000000, 0.0639281500000000 ] - [ 0.0244929600000000, 0.0058910800000000, 0.0639940600000000 ] - [ -0.0242134400000000, 0.0060132200000000, -0.0642476600000000 ] - [ -0.0243712100000000, 0.0060317200000000, -0.0641562300000000 ] - [ -0.0209571400000000, -0.1933704500000000, 0.0707668100000000 ] - [ -0.0209538200000000, -0.1936729600000000, 0.0708564900000000 ] - [ 0.0196480700000000, -0.1951624200000000, -0.0680587700000000 ] - [ 0.0211170100000000, -0.1935368700000000, -0.0707704600000000 ] - [ 0.0210280500000000, 0.1935247100000000, -0.0706864700000000 ] - [ 0.0209969700000000, 0.1934832200000000, -0.0708149100000000 ] - [ -0.0210228100000000, 0.1936099000000000, 0.0707214200000000 ] - [ -0.0210639800000000, 0.1935927300000000, 0.0707908900000000 ] - [ 0.0573093400000000, -0.0154450400000000, -0.0079178500000000 ] - [ 0.0568948000000000, -0.0155415500000000, -0.0081051800000000 ] - [ -0.0568660300000000, -0.0157177500000000, 0.0082878100000000 ] - [ -0.0567053200000000, -0.0153108500000000, 0.0083254400000000 ] - [ -0.0566374700000000, 0.0155504200000000, 0.0081537100000000 ] - [ -0.0567430700000000, 0.0155733200000000, 0.0081973400000000 ] - [ 0.0570642600000000, 0.0155941000000000, -0.0082339200000000 ] - [ 0.0569992000000000, 0.0155301700000000, -0.0081902600000000 ] - [ -0.0095508000000000, 0.2017506400000000, 0.0798441900000000 ] - [ -0.0095148200000000, 0.2021499100000000, 0.0799248000000000 ] - [ 0.0083481700000000, 0.2032510400000000, -0.0780345500000000 ] - [ 0.0095373700000000, 0.2019995100000000, -0.0797845900000000 ] - [ 0.0096216600000000, -0.2018541300000000, -0.0798401700000000 ] - [ 0.0094141200000000, -0.2020044000000000, -0.0797909700000000 ] - [ -0.0095126300000000, -0.2020302800000000, 0.0797865100000000 ] - [ -0.0095675700000000, -0.2020464700000000, 0.0797973200000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0066804700000000, 0.0072002100000000, -0.0167675200000000 ] - [ -0.0065187100000000, 0.0072274200000000, -0.0167707600000000 ] - [ -0.0066144900000000, -0.0073753500000000, -0.0167694100000000 ] - [ -0.0066131500000000, -0.0071941800000000, -0.0167258400000000 ] - [ 0.0066406900000000, -0.0072410400000000, 0.0167514400000000 ] - [ 0.0065715000000000, -0.0072539600000000, 0.0167507400000000 ] - [ 0.0066698000000000, 0.0072318700000000, 0.0167467500000000 ] - [ 0.0065637800000000, 0.0072346300000000, 0.0167513600000000 ] - [ -0.0011704800000000, -0.0002082800000000, -0.0055352800000000 ] - [ -0.0015932600000000, -0.0002084100000000, -0.0053325800000000 ] - [ 0.0015424300000000, -0.0003082500000000, 0.0054643500000000 ] - [ 0.0015074800000000, -0.0002115500000000, 0.0053692300000000 ] - [ 0.0011248000000000, 0.0015985900000000, 0.0045332800000000 ] - [ 0.0018129200000000, 0.0013549800000000, 0.0060973300000000 ] - [ -0.0014723500000000, 0.0003104500000000, -0.0053800400000000 ] - [ -0.0014945600000000, 0.0002905800000000, -0.0053932800000000 ] - [ 0.0116514900000000, -0.0067061900000000, 0.0015556200000000 ] - [ 0.0116707800000000, -0.0066597000000000, 0.0015672100000000 ] - [ -0.0117009600000000, -0.0067869800000000, -0.0015429400000000 ] - [ -0.0116762900000000, -0.0065504200000000, -0.0015603800000000 ] - [ -0.0113808500000000, 0.0069033300000000, -0.0015545600000000 ] - [ -0.0119442600000000, 0.0068564500000000, -0.0014663300000000 ] - [ 0.0116856600000000, 0.0066856700000000, 0.0015696700000000 ] - [ 0.0116671400000000, 0.0066877200000000, 0.0015451300000000 ] - [ -0.0000999600000000, -0.0139913900000000, 0.0099066100000000 ] - [ -0.0000124400000000, -0.0038625700000000, 0.0088916200000000 ] - [ 0.0000287500000000, -0.0040521000000000, -0.0088911800000000 ] - [ 0.0000517500000000, -0.0040519100000000, -0.0089274500000000 ] - [ -0.0002268400000000, 0.0038530900000000, -0.0088929500000000 ] - [ 0.0000406100000000, 0.0040694100000000, -0.0088859400000000 ] - [ 0.0000196800000000, 0.0040315900000000, 0.0088496100000000 ] - [ -0.0000847000000000, 0.0040540500000000, 0.0089220300000000 ] - [ -0.0158604100000000, -0.0335303900000000, -0.0314468600000000 ] - [ -0.0158695400000000, -0.0335954900000000, -0.0313754800000000 ] - [ -0.0202290000000000, -0.0487463000000000, -0.0058319400000000 ] - [ -0.0207556600000000, -0.0490846000000000, -0.0057427400000000 ] - [ -0.0206416200000000, 0.0494490600000000, -0.0058781100000000 ] - [ -0.0208620400000000, 0.0491917800000000, -0.0057337300000000 ] - [ 0.0206513000000000, 0.0489476400000000, 0.0057247500000000 ] - [ 0.0206879300000000, 0.0492226600000000, 0.0057532700000000 ] - [ 0.0435047500000000, -0.0189899200000000, -0.0206857100000000 ] - [ 0.0436022400000000, -0.0188519900000000, -0.0209946300000000 ] - [ -0.0439445400000000, -0.0187520700000000, 0.0206966200000000 ] - [ -0.0435353300000000, -0.0188934000000000, 0.0209894500000000 ] - [ -0.0429589800000000, 0.0198012200000000, 0.0234579400000000 ] - [ -0.0436543800000000, 0.0199007100000000, 0.0208851600000000 ] - [ 0.0436359500000000, 0.0187865300000000, -0.0209101100000000 ] - [ 0.0436013700000000, 0.0189881200000000, -0.0209686800000000 ] - [ 0.0439793800000000, -0.0189075200000000, -0.0265865500000000 ] - [ 0.0435625400000000, -0.0188272800000000, -0.0269007700000000 ] - [ -0.0436255700000000, -0.0190737100000000, 0.0266724500000000 ] - [ -0.0435356900000000, -0.0187823100000000, 0.0269165000000000 ] - [ -0.0436068100000000, 0.0191765300000000, 0.0268984600000000 ] - [ -0.0435352800000000, 0.0188008200000000, 0.0268591000000000 ] - [ 0.0440955200000000, 0.0179372700000000, -0.0278674600000000 ] - [ 0.0430467300000000, 0.0190110000000000, -0.0265174300000000 ] - [ 0.0147436300000000, -0.0344356700000000, 0.0308224100000000 ] - [ 0.0164949400000000, -0.0333508200000000, 0.0314007200000000 ] - [ -0.0158891300000000, 0.0335024400000000, -0.0314739100000000 ] - [ -0.0158330900000000, 0.0336874200000000, -0.0313327500000000 ] - [ 0.0157622200000000, 0.0336162700000000, 0.0317347300000000 ] - [ 0.0158444400000000, 0.0336614500000000, 0.0314618300000000 ] - [ 0.0206534000000000, -0.0491941600000000, 0.0058419900000000 ] - [ 0.0206867200000000, -0.0491020600000000, 0.0057402600000000 ] - [ 0.0791261900000000, 0.0157588900000000, -0.0144844200000000 ] - [ 0.0790191600000000, 0.0157460700000000, -0.0143370600000000 ] - [ 0.1308095600000000, 0.0056905500000000, 0.0091152600000000 ] - [ 0.1316804900000000, 0.0053550000000000, 0.0083630200000000 ] - [ 0.1316356000000000, -0.0057604800000000, 0.0083724700000000 ] - [ 0.1314997200000000, -0.0058287200000000, 0.0082720300000000 ] - [ -0.1314242700000000, -0.0053995000000000, -0.0083062800000000 ] - [ -0.1315792600000000, -0.0058433500000000, -0.0083224900000000 ] - [ -0.1317495200000000, 0.0059775000000000, -0.0081345800000000 ] - [ -0.1315692800000000, 0.0057334000000000, -0.0082835800000000 ] - [ -0.0793193500000000, 0.0217232900000000, 0.0118716300000000 ] - [ -0.0792887600000000, 0.0152914400000000, 0.0135765100000000 ] - [ -0.0791141600000000, -0.0155160300000000, 0.0143349300000000 ] - [ -0.0790519600000000, -0.0158208500000000, 0.0143255400000000 ] - [ 0.0791966700000000, -0.0158192900000000, -0.0142778500000000 ] - [ 0.0788783200000000, -0.0158078000000000, -0.0144688000000000 ] - [ -0.0245111500000000, -0.0060059500000000, -0.0640818600000000 ] - [ -0.0244777000000000, -0.0060378100000000, -0.0641326000000000 ] - [ 0.0251788100000000, -0.0061362300000000, 0.0644797900000000 ] - [ 0.0245882400000000, -0.0064292000000000, 0.0640113800000000 ] - [ 0.0244414800000000, 0.0058102600000000, 0.0642997200000000 ] - [ 0.0244950300000000, 0.0060254600000000, 0.0642377300000000 ] - [ -0.0244996800000000, 0.0060510500000000, -0.0641285800000000 ] - [ -0.0244621800000000, 0.0059666300000000, -0.0641725300000000 ] - [ -0.0210303100000000, -0.1934684600000000, 0.0707817700000000 ] - [ -0.0211700000000000, -0.1935771000000000, 0.0708443800000000 ] - [ 0.0221830400000000, -0.1932179100000000, -0.0728704700000000 ] - [ 0.0211675100000000, -0.1936145600000000, -0.0708664300000000 ] - [ 0.0210364100000000, 0.1936510900000000, -0.0708692500000000 ] - [ 0.0213148900000000, 0.1934448200000000, -0.0703571700000000 ] - [ -0.0211173300000000, 0.1936208700000000, 0.0707916700000000 ] - [ -0.0211287000000000, 0.1935537600000000, 0.0707985700000000 ] - [ 0.0567759300000000, -0.0155606600000000, -0.0083131500000000 ] - [ 0.0568739100000000, -0.0156041700000000, -0.0081746300000000 ] - [ -0.0566179600000000, -0.0153965600000000, 0.0082870900000000 ] - [ -0.0568426200000000, -0.0156726300000000, 0.0082744800000000 ] - [ -0.0568901700000000, 0.0158725100000000, 0.0082212600000000 ] - [ -0.0568665300000000, 0.0155130800000000, 0.0081973500000000 ] - [ 0.0568219800000000, 0.0155175500000000, -0.0081606200000000 ] - [ 0.0569022000000000, 0.0155319600000000, -0.0082154100000000 ] - [ -0.0095986900000000, 0.2021480000000000, 0.0797671800000000 ] - [ -0.0095873500000000, 0.2020633600000000, 0.0797899000000000 ] - [ 0.0085525800000000, 0.2022234700000000, -0.0788431000000000 ] - [ 0.0095446900000000, 0.2019592300000000, -0.0797760800000000 ] - [ 0.0096823900000000, -0.2018780400000000, -0.0794194900000000 ] - [ 0.0094357700000000, -0.2022406300000000, -0.0801291100000000 ] - [ -0.0095502800000000, -0.2020194200000000, 0.0798141200000000 ] - [ -0.0095748100000000, -0.2020648700000000, 0.0798134200000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0065068600000000, 0.0072470600000000, -0.0167384600000000 ] - [ -0.0066685300000000, 0.0072191500000000, -0.0167356900000000 ] - [ -0.0065736800000000, -0.0070758800000000, -0.0167363700000000 ] - [ -0.0065740000000000, -0.0072579700000000, -0.0167796600000000 ] - [ 0.0065464100000000, -0.0072086400000000, 0.0167543400000000 ] - [ 0.0066158400000000, -0.0071959800000000, 0.0167544400000000 ] - [ 0.0065171100000000, 0.0072186800000000, 0.0167587000000000 ] - [ 0.0066233300000000, 0.0072145900000000, 0.0167549600000000 ] - [ -0.0018236400000000, -0.0003432600000000, -0.0052367900000000 ] - [ -0.0013997800000000, -0.0003427400000000, -0.0054400800000000 ] - [ 0.0014484900000000, -0.0002425200000000, 0.0053080300000000 ] - [ 0.0014845300000000, -0.0003392600000000, 0.0054041500000000 ] - [ 0.0018619600000000, -0.0010310500000000, 0.0062265900000000 ] - [ 0.0011747500000000, -0.0008224200000000, 0.0046658300000000 ] - [ -0.0015198400000000, 0.0002393400000000, -0.0053923100000000 ] - [ -0.0014973900000000, 0.0002592900000000, -0.0053797600000000 ] - [ 0.0116769700000000, -0.0066519400000000, 0.0015456300000000 ] - [ 0.0116575300000000, -0.0066988600000000, 0.0015342900000000 ] - [ -0.0116272200000000, -0.0065705400000000, -0.0015584500000000 ] - [ -0.0116523000000000, -0.0068069200000000, -0.0015412200000000 ] - [ -0.0119445200000000, 0.0064548400000000, -0.0015476100000000 ] - [ -0.0113829300000000, 0.0064991000000000, -0.0016356000000000 ] - [ 0.0116429400000000, 0.0066704900000000, 0.0015317500000000 ] - [ 0.0116613800000000, 0.0066682500000000, 0.0015568200000000 ] - [ -0.0000121900000000, 0.0061998300000000, 0.0078221000000000 ] - [ -0.0000405400000000, -0.0042354000000000, 0.0089064600000000 ] - [ 0.0000241400000000, -0.0040511600000000, -0.0089073900000000 ] - [ 0.0000011200000000, -0.0040506400000000, -0.0088707800000000 ] - [ 0.0002834300000000, 0.0042443800000000, -0.0089060700000000 ] - [ 0.0000122000000000, 0.0040300300000000, -0.0089130800000000 ] - [ -0.0000727000000000, 0.0040693900000000, 0.0089492100000000 ] - [ 0.0000313100000000, 0.0040467800000000, 0.0088769400000000 ] - [ -0.0158902000000000, -0.0336662200000000, -0.0313272100000000 ] - [ -0.0158814000000000, -0.0335997100000000, -0.0313988800000000 ] - [ -0.0211329200000000, -0.0495485200000000, -0.0057183700000000 ] - [ -0.0206035200000000, -0.0492104300000000, -0.0058080000000000 ] - [ -0.0207164000000000, 0.0488417600000000, -0.0056740400000000 ] - [ -0.0204977700000000, 0.0491009700000000, -0.0058157800000000 ] - [ 0.0207081700000000, 0.0493470100000000, 0.0058266200000000 ] - [ 0.0206711500000000, 0.0490708700000000, 0.0057973100000000 ] - [ 0.0436763700000000, -0.0188665300000000, -0.0212209600000000 ] - [ 0.0435781600000000, -0.0190065700000000, -0.0209104500000000 ] - [ -0.0432348000000000, -0.0191063300000000, 0.0212091100000000 ] - [ -0.0436455700000000, -0.0189652200000000, 0.0209154500000000 ] - [ -0.0442138700000000, 0.0180523300000000, 0.0184762000000000 ] - [ -0.0435279300000000, 0.0179633600000000, 0.0210149600000000 ] - [ 0.0435437300000000, 0.0190720100000000, -0.0209952400000000 ] - [ 0.0435795600000000, 0.0188689000000000, -0.0209362400000000 ] - [ 0.0430999800000000, -0.0187468800000000, -0.0271980300000000 ] - [ 0.0435204200000000, -0.0188289900000000, -0.0268843600000000 ] - [ -0.0434574800000000, -0.0185846300000000, 0.0271110400000000 ] - [ -0.0435472600000000, -0.0188735500000000, 0.0268678500000000 ] - [ -0.0434730300000000, 0.0184735700000000, 0.0268877400000000 ] - [ -0.0435486000000000, 0.0188525400000000, 0.0269263300000000 ] - [ 0.0429850200000000, 0.0197234600000000, -0.0259146600000000 ] - [ 0.0440311600000000, 0.0186435800000000, -0.0272620800000000 ] - [ 0.0170120000000000, -0.0327540700000000, 0.0319540600000000 ] - [ 0.0152632500000000, -0.0338432600000000, 0.0313752400000000 ] - [ -0.0158623000000000, 0.0336902900000000, -0.0313015700000000 ] - [ -0.0159185300000000, 0.0335056500000000, -0.0314427000000000 ] - [ 0.0159888600000000, 0.0335760100000000, 0.0310394700000000 ] - [ 0.0159066700000000, 0.0335316900000000, 0.0313124600000000 ] - [ 0.0207062000000000, -0.0491007800000000, 0.0057080600000000 ] - [ 0.0206725800000000, -0.0491928500000000, 0.0058096200000000 ] - [ 0.0789787800000000, 0.0157728200000000, -0.0142437100000000 ] - [ 0.0790877600000000, 0.0157855700000000, -0.0143927500000000 ] - [ 0.1323582900000000, 0.0059004500000000, 0.0075065800000000 ] - [ 0.1314808400000000, 0.0062416100000000, 0.0082706700000000 ] - [ 0.1315247900000000, -0.0058402800000000, 0.0082616000000000 ] - [ 0.1316609900000000, -0.0057723500000000, 0.0083616400000000 ] - [ -0.1317200300000000, -0.0062013300000000, -0.0083128800000000 ] - [ -0.1315811000000000, -0.0057575200000000, -0.0083111700000000 ] - [ -0.1314090900000000, 0.0056207100000000, -0.0085016200000000 ] - [ -0.1315909000000000, 0.0058668600000000, -0.0083508500000000 ] - [ -0.0787617000000000, 0.0095961700000000, 0.0169759600000000 ] - [ -0.0788213500000000, 0.0162362300000000, 0.0151430100000000 ] - [ -0.0789915300000000, -0.0160172600000000, 0.0143949000000000 ] - [ -0.0790549500000000, -0.0157123000000000, 0.0144039500000000 ] - [ 0.0789116700000000, -0.0157131200000000, -0.0144518300000000 ] - [ 0.0792299600000000, -0.0157245500000000, -0.0142608700000000 ] - [ -0.0244388500000000, -0.0060429200000000, -0.0641938100000000 ] - [ -0.0244723400000000, -0.0060100900000000, -0.0641429700000000 ] - [ 0.0237640200000000, -0.0059159900000000, 0.0637954000000000 ] - [ 0.0243614900000000, -0.0056211700000000, 0.0642631600000000 ] - [ 0.0245094500000000, 0.0062374400000000, 0.0639744700000000 ] - [ 0.0244547400000000, 0.0060223000000000, 0.0640378000000000 ] - [ -0.0244512200000000, 0.0059953800000000, -0.0641463700000000 ] - [ -0.0244880400000000, 0.0060799400000000, -0.0641024200000000 ] - [ -0.0212129900000000, -0.1936793400000000, 0.0708027800000000 ] - [ -0.0210732400000000, -0.1935691000000000, 0.0707402300000000 ] - [ 0.0200777900000000, -0.1939272900000000, -0.0687427200000000 ] - [ 0.0210743400000000, -0.1935316500000000, -0.0707176500000000 ] - [ 0.0212059100000000, 0.1934958600000000, -0.0707162400000000 ] - [ 0.0209284700000000, 0.1936975500000000, -0.0712259600000000 ] - [ -0.0211252200000000, 0.1935237800000000, 0.0707930500000000 ] - [ -0.0211134900000000, 0.1935913500000000, 0.0707858400000000 ] - [ 0.0569565400000000, -0.0155478700000000, -0.0080751500000000 ] - [ 0.0568579700000000, -0.0155044300000000, -0.0082150000000000 ] - [ -0.0571162200000000, -0.0157128000000000, 0.0081013500000000 ] - [ -0.0568903000000000, -0.0154355500000000, 0.0081146700000000 ] - [ -0.0568425700000000, 0.0152339500000000, 0.0081682800000000 ] - [ -0.0568661100000000, 0.0155937500000000, 0.0081925400000000 ] - [ 0.0569097500000000, 0.0155894200000000, -0.0082285900000000 ] - [ 0.0568294600000000, 0.0155748600000000, -0.0081735800000000 ] - [ -0.0095777400000000, 0.2019119000000000, 0.0798412200000000 ] - [ -0.0095888600000000, 0.2019947500000000, 0.0798186100000000 ] - [ 0.0106325500000000, 0.2018397500000000, -0.0807775900000000 ] - [ 0.0096312200000000, 0.2020992300000000, -0.0798312200000000 ] - [ 0.0094919800000000, -0.2021832000000000, -0.0801927000000000 ] - [ 0.0097380800000000, -0.2018203400000000, -0.0794822700000000 ] - [ -0.0096267100000000, -0.2020408800000000, 0.0797937900000000 ] - [ -0.0096012900000000, -0.2019957300000000, 0.0797945600000000 ]- atom: 25 displacement: [ -0.0000427683518374, 0.0000000000000000, 0.0099999085429858 ] forces: - [ -0.0065956900000000, 0.0071893200000000, -0.0165821200000000 ] - [ -0.0066030600000000, 0.0072418800000000, -0.0165620200000000 ] - [ -0.0067898700000000, -0.0072471400000000, -0.0171244900000000 ] - [ -0.0065645400000000, -0.0072487700000000, -0.0168872100000000 ] - [ 0.0065128900000000, -0.0073117700000000, 0.0168794800000000 ] - [ 0.0065527300000000, -0.0071824500000000, 0.0168676200000000 ] - [ 0.0067675500000000, 0.0071804700000000, 0.0165926300000000 ] - [ 0.0066708900000000, 0.0072146600000000, 0.0166414100000000 ] - [ -0.0017270500000000, -0.0004738500000000, -0.0054903800000000 ] - [ -0.0016089300000000, -0.0001508700000000, -0.0055285400000000 ] - [ 0.0016273000000000, -0.0003104500000000, 0.0057920600000000 ] - [ 0.0015028000000000, -0.0002692100000000, 0.0055229100000000 ] - [ 0.0017039600000000, -0.0004165400000000, 0.0053053100000000 ] - [ 0.0016394800000000, 0.0009217600000000, 0.0052169800000000 ] - [ -0.0014057600000000, 0.0002604200000000, -0.0051171200000000 ] - [ -0.0014673400000000, 0.0002832500000000, -0.0052904400000000 ] - [ 0.0117031700000000, -0.0066692400000000, 0.0013434300000000 ] - [ 0.0117135400000000, -0.0066511500000000, 0.0013354400000000 ] - [ -0.0117099900000000, -0.0067002200000000, -0.0012460700000000 ] - [ -0.0116577200000000, -0.0066484900000000, -0.0013306600000000 ] - [ -0.0117237900000000, 0.0066737700000000, -0.0019881600000000 ] - [ -0.0116177300000000, 0.0067548400000000, -0.0019228500000000 ] - [ 0.0115208900000000, 0.0066518700000000, 0.0018520400000000 ] - [ 0.0116449200000000, 0.0066907100000000, 0.0017429100000000 ] - [ 0.0017659600000000, -0.0030371500000000, -0.0095933200000000 ] - [ -0.0000439900000000, -0.0040589600000000, 0.0086500300000000 ] - [ 0.0000526400000000, -0.0040230800000000, -0.0086383500000000 ] - [ 0.0000576100000000, -0.0040592200000000, -0.0086382900000000 ] - [ -0.0002049200000000, 0.0040571900000000, -0.0094571600000000 ] - [ -0.0000243100000000, 0.0040634900000000, -0.0090715700000000 ] - [ -0.0000126600000000, 0.0041010200000000, 0.0091658500000000 ] - [ -0.0000004600000000, 0.0040276400000000, 0.0091575900000000 ] - [ -0.0158682000000000, -0.0334656300000000, -0.0314293300000000 ] - [ -0.0158400400000000, -0.0336291400000000, -0.0314748600000000 ] - [ -0.0211946900000000, -0.0496380200000000, -0.0055240100000000 ] - [ -0.0206802500000000, -0.0490869600000000, -0.0058173000000000 ] - [ -0.0207975100000000, 0.0493800200000000, -0.0053637400000000 ] - [ -0.0206869300000000, 0.0491050500000000, -0.0056726700000000 ] - [ 0.0207421800000000, 0.0491034900000000, 0.0058586200000000 ] - [ 0.0208155000000000, 0.0491552600000000, 0.0058648900000000 ] - [ 0.0440781300000000, -0.0184364000000000, -0.0212420000000000 ] - [ 0.0435987900000000, -0.0189456100000000, -0.0208767800000000 ] - [ -0.0434523500000000, -0.0191038200000000, 0.0214320300000000 ] - [ -0.0436802900000000, -0.0187431600000000, 0.0209178200000000 ] - [ -0.0423513700000000, 0.0214860300000000, 0.0234695600000000 ] - [ -0.0434747000000000, 0.0187061300000000, 0.0213549700000000 ] - [ 0.0434013400000000, 0.0188826400000000, -0.0209647900000000 ] - [ 0.0433509200000000, 0.0189731100000000, -0.0210621800000000 ] - [ 0.0438563100000000, -0.0185905600000000, -0.0259413800000000 ] - [ 0.0435042500000000, -0.0189859700000000, -0.0269276500000000 ] - [ -0.0433996200000000, -0.0194977800000000, 0.0268900000000000 ] - [ -0.0434768700000000, -0.0187662400000000, 0.0267670900000000 ] - [ -0.0443150500000000, 0.0193752200000000, 0.0271137200000000 ] - [ -0.0436889500000000, 0.0187397900000000, 0.0268597700000000 ] - [ 0.0437864900000000, 0.0180286400000000, -0.0261036500000000 ] - [ 0.0436324200000000, 0.0188084500000000, -0.0268242300000000 ] - [ 0.0163009200000000, -0.0340411600000000, 0.0320420500000000 ] - [ 0.0158667500000000, -0.0336490900000000, 0.0315365600000000 ] - [ -0.0159300700000000, 0.0335928300000000, -0.0313432100000000 ] - [ -0.0159333400000000, 0.0335841700000000, -0.0313674500000000 ] - [ 0.0159408600000000, 0.0337139300000000, 0.0319961000000000 ] - [ 0.0159373000000000, 0.0334310600000000, 0.0312971700000000 ] - [ 0.0205665200000000, -0.0490673900000000, 0.0055931100000000 ] - [ 0.0206782300000000, -0.0491800600000000, 0.0058267700000000 ] - [ 0.0793910800000000, 0.0157661200000000, -0.0147288600000000 ] - [ 0.0791802000000000, 0.0157739400000000, -0.0144158900000000 ] - [ 0.1279377400000000, 0.0069131500000000, 0.0135871700000000 ] - [ 0.1316382000000000, 0.0059269900000000, 0.0082047800000000 ] - [ 0.1314764800000000, -0.0056171000000000, 0.0081553600000000 ] - [ 0.1314372400000000, -0.0060121000000000, 0.0080641700000000 ] - [ -0.1283195500000000, -0.0057918800000000, -0.0048864900000000 ] - [ -0.1315735100000000, -0.0057951800000000, -0.0082621400000000 ] - [ -0.1315069500000000, 0.0059695100000000, -0.0085345500000000 ] - [ -0.1313813900000000, 0.0055878500000000, -0.0085201900000000 ] - [ -0.0788360800000000, 0.0126411600000000, 0.0150944600000000 ] - [ -0.0792244200000000, 0.0155190700000000, 0.0143397500000000 ] - [ -0.0791166400000000, -0.0157551100000000, 0.0138497200000000 ] - [ -0.0790223800000000, -0.0157333900000000, 0.0143163800000000 ] - [ 0.0790275000000000, -0.0156698900000000, -0.0142814900000000 ] - [ 0.0790110900000000, -0.0158416600000000, -0.0142610200000000 ] - [ -0.0244096900000000, -0.0059721100000000, -0.0642949800000000 ] - [ -0.0244568700000000, -0.0060079200000000, -0.0642264300000000 ] - [ 0.0259999900000000, -0.0056380600000000, 0.0645996800000000 ] - [ 0.0243376800000000, -0.0058662000000000, 0.0641533600000000 ] - [ 0.0246289400000000, 0.0062873100000000, 0.0637542900000000 ] - [ 0.0245249300000000, 0.0058575400000000, 0.0638768100000000 ] - [ -0.0247763700000000, 0.0060619100000000, -0.0638661000000000 ] - [ -0.0245059300000000, 0.0060920200000000, -0.0640421400000000 ] - [ -0.0212341400000000, -0.1938348600000000, 0.0707514200000000 ] - [ -0.0212221600000000, -0.1934988900000000, 0.0707181500000000 ] - [ 0.0188250500000000, -0.1959730100000000, -0.0673373200000000 ] - [ 0.0211277500000000, -0.1936104700000000, -0.0706871600000000 ] - [ 0.0209690800000000, 0.1933209700000000, -0.0709872200000000 ] - [ 0.0210300300000000, 0.1937293600000000, -0.0709537300000000 ] - [ -0.0210391800000000, 0.1935547000000000, 0.0708110000000000 ] - [ -0.0211297700000000, 0.1935223300000000, 0.0708468400000000 ] - [ 0.0567718200000000, -0.0155525000000000, -0.0084988700000000 ] - [ 0.0568255000000000, -0.0155438400000000, -0.0082753100000000 ] - [ -0.0569686900000000, -0.0154825100000000, 0.0080687000000000 ] - [ -0.0569948700000000, -0.0156997900000000, 0.0081059200000000 ] - [ -0.0563877000000000, 0.0155484600000000, 0.0077072900000000 ] - [ -0.0568707800000000, 0.0155813300000000, 0.0081984800000000 ] - [ 0.0570181100000000, 0.0156787800000000, -0.0081894900000000 ] - [ 0.0568861900000000, 0.0155175900000000, -0.0081226000000000 ] - [ -0.0095308200000000, 0.2022336800000000, 0.0796903300000000 ] - [ -0.0096441900000000, 0.2018983900000000, 0.0797448300000000 ] - [ 0.0073914500000000, 0.2039811100000000, -0.0778691100000000 ] - [ 0.0095086600000000, 0.2020351400000000, -0.0796795500000000 ] - [ 0.0095959500000000, -0.2019446000000000, -0.0799679100000000 ] - [ 0.0095725200000000, -0.2021466400000000, -0.0799528600000000 ] - [ -0.0093174400000000, -0.2020997200000000, 0.0798643600000000 ] - [ -0.0096088500000000, -0.2020035300000000, 0.0798562400000000 ]- atom: 25 displacement: [ 0.0000427683518374, 0.0000000000000000, -0.0099999085429858 ] forces: - [ -0.0065916800000000, 0.0072589300000000, -0.0169232400000000 ] - [ -0.0065844600000000, 0.0072058100000000, -0.0169445200000000 ] - [ -0.0063972200000000, -0.0072044800000000, -0.0163797900000000 ] - [ -0.0066224000000000, -0.0072022400000000, -0.0166189700000000 ] - [ 0.0066740400000000, -0.0071367900000000, 0.0166263500000000 ] - [ 0.0066342900000000, -0.0072668700000000, 0.0166366500000000 ] - [ 0.0064196100000000, 0.0072715100000000, 0.0169122000000000 ] - [ 0.0065161900000000, 0.0072352900000000, 0.0168653500000000 ] - [ -0.0012650000000000, -0.0000773800000000, -0.0052835900000000 ] - [ -0.0013827600000000, -0.0003988800000000, -0.0052449000000000 ] - [ 0.0013634400000000, -0.0002397000000000, 0.0049806300000000 ] - [ 0.0014893100000000, -0.0002810200000000, 0.0052498200000000 ] - [ 0.0012873400000000, 0.0009674600000000, 0.0054703000000000 ] - [ 0.0013515600000000, -0.0003728900000000, 0.0055583800000000 ] - [ -0.0015862900000000, 0.0002900800000000, -0.0056551200000000 ] - [ -0.0015244500000000, 0.0002671000000000, -0.0054827100000000 ] - [ 0.0116253100000000, -0.0066882900000000, 0.0017576900000000 ] - [ 0.0116148400000000, -0.0067064900000000, 0.0017657400000000 ] - [ -0.0116182800000000, -0.0066564800000000, -0.0018557200000000 ] - [ -0.0116706200000000, -0.0067081300000000, -0.0017711800000000 ] - [ -0.0116049600000000, 0.0066834600000000, -0.0011129100000000 ] - [ -0.0117107100000000, 0.0066027400000000, -0.0011780600000000 ] - [ 0.0118079500000000, 0.0067051500000000, 0.0012489600000000 ] - [ 0.0116835500000000, 0.0066659500000000, 0.0013586400000000 ] - [ -0.0017886200000000, -0.0051244600000000, 0.0274145500000000 ] - [ -0.0000091700000000, -0.0040411100000000, 0.0091487700000000 ] - [ 0.0000000800000000, -0.0040798400000000, -0.0091607700000000 ] - [ -0.0000051000000000, -0.0040425900000000, -0.0091607700000000 ] - [ 0.0002623700000000, 0.0040423400000000, -0.0083431000000000 ] - [ 0.0000776900000000, 0.0040366100000000, -0.0087275800000000 ] - [ -0.0000396200000000, 0.0040011300000000, 0.0086324700000000 ] - [ -0.0000525200000000, 0.0040739300000000, 0.0086410800000000 ] - [ -0.0158820200000000, -0.0337297700000000, -0.0313435100000000 ] - [ -0.0159111800000000, -0.0335653100000000, -0.0313000300000000 ] - [ -0.0201702600000000, -0.0486552600000000, -0.0060289200000000 ] - [ -0.0206791900000000, -0.0492071800000000, -0.0057340300000000 ] - [ -0.0205607100000000, 0.0489116400000000, -0.0061878400000000 ] - [ -0.0206732500000000, 0.0491889600000000, -0.0058773700000000 ] - [ 0.0206167700000000, 0.0491909000000000, 0.0056926000000000 ] - [ 0.0205439700000000, 0.0491388100000000, 0.0056855500000000 ] - [ 0.0431040500000000, -0.0194215800000000, -0.0206655700000000 ] - [ 0.0435813500000000, -0.0189125200000000, -0.0210284800000000 ] - [ -0.0437234800000000, -0.0187535300000000, 0.0204708900000000 ] - [ -0.0434988700000000, -0.0191152400000000, 0.0209867300000000 ] - [ -0.0448094100000000, 0.0164125700000000, 0.0184747200000000 ] - [ -0.0437062900000000, 0.0191565700000000, 0.0205509800000000 ] - [ 0.0437787600000000, 0.0189764200000000, -0.0209394700000000 ] - [ 0.0438299600000000, 0.0188840400000000, -0.0208432600000000 ] - [ 0.0432232300000000, -0.0190639500000000, -0.0278528700000000 ] - [ 0.0435792100000000, -0.0186688800000000, -0.0268576600000000 ] - [ -0.0436840400000000, -0.0181598700000000, 0.0268918300000000 ] - [ -0.0436067100000000, -0.0188890900000000, 0.0270179400000000 ] - [ -0.0427619600000000, 0.0182740000000000, 0.0266746600000000 ] - [ -0.0433941500000000, 0.0189145400000000, 0.0269243100000000 ] - [ 0.0432981800000000, 0.0196191900000000, -0.0276737200000000 ] - [ 0.0434504300000000, 0.0188470000000000, -0.0269608600000000 ] - [ 0.0154533800000000, -0.0331573100000000, 0.0307353400000000 ] - [ 0.0158846800000000, -0.0335449200000000, 0.0312382500000000 ] - [ -0.0158206400000000, 0.0336019700000000, -0.0314323400000000 ] - [ -0.0158173400000000, 0.0336102200000000, -0.0314072800000000 ] - [ 0.0158078700000000, 0.0334785200000000, 0.0307807200000000 ] - [ 0.0158141400000000, 0.0337629800000000, 0.0314765400000000 ] - [ 0.0207927200000000, -0.0492270900000000, 0.0059565400000000 ] - [ 0.0206811900000000, -0.0491135700000000, 0.0057225500000000 ] - [ 0.0787131200000000, 0.0157661600000000, -0.0140003200000000 ] - [ 0.0789275800000000, 0.0157593800000000, -0.0143140700000000 ] - [ 0.1350990600000000, 0.0047357000000000, 0.0032096500000000 ] - [ 0.1315217100000000, 0.0056718400000000, 0.0084288600000000 ] - [ 0.1316848400000000, -0.0059833400000000, 0.0084795200000000 ] - [ 0.1317243600000000, -0.0055870600000000, 0.0085714400000000 ] - [ -0.1349445000000000, -0.0058051500000000, -0.0118196200000000 ] - [ -0.1315871100000000, -0.0058047200000000, -0.0083717800000000 ] - [ -0.1316534300000000, 0.0056314400000000, -0.0081006800000000 ] - [ -0.1317798600000000, 0.0060124600000000, -0.0081143100000000 ] - [ -0.0792642200000000, 0.0188518400000000, 0.0136305400000000 ] - [ -0.0788825900000000, 0.0160125100000000, 0.0143908500000000 ] - [ -0.0789906200000000, -0.0157772600000000, 0.0148814500000000 ] - [ -0.0790851600000000, -0.0157990100000000, 0.0144133700000000 ] - [ 0.0790787700000000, -0.0158620400000000, -0.0144494800000000 ] - [ 0.0790955400000000, -0.0156900700000000, -0.0144701700000000 ] - [ -0.0245402100000000, -0.0060754200000000, -0.0639805100000000 ] - [ -0.0244930100000000, -0.0060391100000000, -0.0640496400000000 ] - [ 0.0229713400000000, -0.0063996900000000, 0.0636846400000000 ] - [ 0.0246130900000000, -0.0061818500000000, 0.0641213200000000 ] - [ 0.0243229600000000, 0.0057617100000000, 0.0645184300000000 ] - [ 0.0244257000000000, 0.0061896800000000, 0.0643976700000000 ] - [ -0.0241724400000000, 0.0059853500000000, -0.0644092700000000 ] - [ -0.0244439000000000, 0.0059550800000000, -0.0642328900000000 ] - [ -0.0210088300000000, -0.1933115900000000, 0.0708335100000000 ] - [ -0.0210208600000000, -0.1936464800000000, 0.0708665600000000 ] - [ 0.0234941300000000, -0.1911068000000000, -0.0743297400000000 ] - [ 0.0211143500000000, -0.1935346500000000, -0.0708980300000000 ] - [ 0.0212726900000000, 0.1938239200000000, -0.0705984600000000 ] - [ 0.0212140700000000, 0.1934153000000000, -0.0706285800000000 ] - [ -0.0212023700000000, 0.1935911700000000, 0.0707734400000000 ] - [ -0.0211124600000000, 0.1936235900000000, 0.0707378700000000 ] - [ 0.0569614100000000, -0.0155552400000000, -0.0078908700000000 ] - [ 0.0569068700000000, -0.0155638700000000, -0.0081147200000000 ] - [ -0.0567631200000000, -0.0156245000000000, 0.0083199200000000 ] - [ -0.0567372800000000, -0.0154079500000000, 0.0082835800000000 ] - [ -0.0573439000000000, 0.0155593800000000, 0.0086832600000000 ] - [ -0.0568619300000000, 0.0155264700000000, 0.0081917000000000 ] - [ 0.0567129500000000, 0.0154277600000000, -0.0081998000000000 ] - [ 0.0568462400000000, 0.0155903400000000, -0.0082669100000000 ] - [ -0.0096448000000000, 0.2018269000000000, 0.0799183900000000 ] - [ -0.0095314900000000, 0.2021610100000000, 0.0798634700000000 ] - [ 0.0118422400000000, 0.2000365900000000, -0.0818011600000000 ] - [ 0.0096673300000000, 0.2020239500000000, -0.0799294600000000 ] - [ 0.0095797300000000, -0.2021156000000000, -0.0796404100000000 ] - [ 0.0096032000000000, -0.2019136200000000, -0.0796560000000000 ] - [ -0.0098563200000000, -0.2019609700000000, 0.0797434800000000 ] - [ -0.0095670000000000, -0.2020566400000000, 0.0797523600000000 ]- atom: 33 displacement: [ 0.0099999992956673, 0.0000000000000000, 0.0000037532191477 ] forces: - [ -0.0065107400000000, 0.0082610000000000, -0.0169956000000000 ] - [ -0.0063869800000000, 0.0064824600000000, -0.0170152400000000 ] - [ -0.0067101400000000, -0.0072034200000000, -0.0166897100000000 ] - [ -0.0066083000000000, -0.0072238200000000, -0.0166545000000000 ] - [ 0.0065560100000000, -0.0074272300000000, 0.0165149600000000 ] - [ 0.0065352000000000, -0.0072032000000000, 0.0167273000000000 ] - [ 0.0058122400000000, 0.0070433800000000, 0.0175775800000000 ] - [ 0.0064606100000000, 0.0072398900000000, 0.0167706200000000 ] - [ -0.0013842000000000, -0.0002475500000000, -0.0054396900000000 ] - [ -0.0014178100000000, -0.0002261200000000, -0.0054749800000000 ] - [ 0.0023087300000000, -0.0002247600000000, 0.0050538200000000 ] - [ 0.0015503800000000, -0.0002474000000000, 0.0054427800000000 ] - [ 0.0015818700000000, 0.0002734000000000, 0.0054514700000000 ] - [ 0.0015512900000000, 0.0002770200000000, 0.0054551300000000 ] - [ -0.0012763100000000, 0.0002165000000000, -0.0043641900000000 ] - [ -0.0014999800000000, 0.0003175500000000, -0.0055049500000000 ] - [ 0.0114164300000000, -0.0069112100000000, 0.0015326400000000 ] - [ 0.0113618000000000, -0.0061753800000000, 0.0014870200000000 ] - [ -0.0110206500000000, -0.0068545700000000, -0.0020819600000000 ] - [ -0.0117000100000000, -0.0066722900000000, -0.0016085700000000 ] - [ -0.0116218600000000, 0.0066291000000000, -0.0013752000000000 ] - [ -0.0115634500000000, 0.0066818800000000, -0.0013578400000000 ] - [ 0.0100058400000000, 0.0071830000000000, 0.0004855800000000 ] - [ 0.0119701000000000, 0.0066745900000000, 0.0013542200000000 ] - [ 0.0002683800000000, -0.0040361900000000, 0.0089063900000000 ] - [ 0.0000574900000000, -0.0040445600000000, 0.0089349000000000 ] - [ 0.0000262400000000, -0.0029156500000000, -0.0084723900000000 ] - [ -0.0000546500000000, -0.0046654000000000, -0.0089087200000000 ] - [ 0.0003012700000000, 0.0039379400000000, -0.0088312700000000 ] - [ 0.0000009500000000, 0.0040186200000000, -0.0088382700000000 ] - [ 0.0001241500000000, 0.0040096200000000, 0.0088421500000000 ] - [ 0.0001692700000000, 0.0040646200000000, 0.0088463900000000 ] - [ -0.0815890800000000, -0.0370677300000000, -0.0222523700000000 ] - [ -0.0151862600000000, -0.0338044600000000, -0.0311821000000000 ] - [ -0.0207303800000000, -0.0492552500000000, -0.0057858700000000 ] - [ -0.0207157900000000, -0.0490958700000000, -0.0058130400000000 ] - [ -0.0178350800000000, 0.0470932400000000, -0.0040417600000000 ] - [ -0.0207412200000000, 0.0492552100000000, -0.0062586200000000 ] - [ 0.0173181500000000, 0.0523829400000000, 0.0077400000000000 ] - [ 0.0210583600000000, 0.0481373000000000, 0.0055485100000000 ] - [ 0.0437303600000000, -0.0189434500000000, -0.0208929300000000 ] - [ 0.0434634700000000, -0.0188391700000000, -0.0208975200000000 ] - [ -0.0433858800000000, -0.0189045300000000, 0.0210810200000000 ] - [ -0.0434659000000000, -0.0189511400000000, 0.0209503400000000 ] - [ -0.0430628000000000, 0.0188605900000000, 0.0210789100000000 ] - [ -0.0432492800000000, 0.0188887400000000, 0.0209352400000000 ] - [ 0.0423379600000000, 0.0152415200000000, -0.0228048900000000 ] - [ 0.0418434100000000, 0.0198058600000000, -0.0194768100000000 ] - [ 0.0436284600000000, -0.0188639000000000, -0.0268146800000000 ] - [ 0.0436477400000000, -0.0186322300000000, -0.0269450100000000 ] - [ -0.0434341200000000, -0.0189406000000000, 0.0269529100000000 ] - [ -0.0435455300000000, -0.0188275700000000, 0.0268592500000000 ] - [ -0.0372768700000000, 0.0202287300000000, 0.0225564400000000 ] - [ -0.0439939100000000, 0.0186251500000000, 0.0272650700000000 ] - [ 0.0439489100000000, 0.0188214600000000, -0.0267890800000000 ] - [ 0.0440634200000000, 0.0187226600000000, -0.0270954500000000 ] - [ 0.0162955100000000, -0.0333854200000000, 0.0316206600000000 ] - [ 0.0162957000000000, -0.0335407100000000, 0.0310956600000000 ] - [ -0.0161260600000000, 0.0336522800000000, -0.0313352200000000 ] - [ -0.0159429200000000, 0.0336147200000000, -0.0313345400000000 ] - [ 0.0160557300000000, 0.0333628700000000, 0.0315939000000000 ] - [ 0.0158374400000000, 0.0334971500000000, 0.0314046300000000 ] - [ 0.0202498500000000, -0.0491844800000000, 0.0057373000000000 ] - [ 0.0206608500000000, -0.0491392900000000, 0.0058151300000000 ] - [ 0.1003466900000000, 0.0068759600000000, -0.0022620400000000 ] - [ 0.0797597100000000, 0.0167701200000000, -0.0145531600000000 ] - [ 0.1311214200000000, 0.0054711500000000, 0.0089282600000000 ] - [ 0.1311758000000000, 0.0059463600000000, 0.0084836000000000 ] - [ 0.1313528900000000, -0.0059263300000000, 0.0082330900000000 ] - [ 0.1314848000000000, -0.0057099000000000, 0.0083072100000000 ] - [ -0.1316578200000000, -0.0057563600000000, -0.0083095900000000 ] - [ -0.1315805700000000, -0.0058534000000000, -0.0083391900000000 ] - [ -0.1312170000000000, 0.0071258000000000, -0.0082059000000000 ] - [ -0.1325046200000000, 0.0052972300000000, -0.0081269000000000 ] - [ -0.0794328900000000, 0.0156949900000000, 0.0142045600000000 ] - [ -0.0793708700000000, 0.0158717100000000, 0.0143095500000000 ] - [ -0.0797071700000000, -0.0156170800000000, 0.0142081400000000 ] - [ -0.0790933100000000, -0.0157764200000000, 0.0143980800000000 ] - [ 0.0790092900000000, -0.0157191800000000, -0.0142601200000000 ] - [ 0.0790026900000000, -0.0156861200000000, -0.0143972300000000 ] - [ -0.0235997700000000, -0.0052630900000000, -0.0642627700000000 ] - [ -0.0201285600000000, -0.0114589700000000, -0.0673066200000000 ] - [ 0.0235948500000000, -0.0058678200000000, 0.0634199500000000 ] - [ 0.0242392800000000, -0.0060898500000000, 0.0643385900000000 ] - [ 0.0244003400000000, 0.0061460200000000, 0.0642389300000000 ] - [ 0.0244118200000000, 0.0059662700000000, 0.0641766600000000 ] - [ -0.0243341700000000, 0.0060619300000000, -0.0638839700000000 ] - [ -0.0244215300000000, 0.0060443800000000, -0.0643177800000000 ] - [ -0.0208049300000000, -0.1933921700000000, 0.0706542200000000 ] - [ -0.0210353800000000, -0.1935887500000000, 0.0707774600000000 ] - [ 0.0209873800000000, -0.1934979100000000, -0.0709428900000000 ] - [ 0.0210569900000000, -0.1935496500000000, -0.0707931300000000 ] - [ 0.0208540900000000, 0.1938570700000000, -0.0706799300000000 ] - [ 0.0210667600000000, 0.1934168100000000, -0.0707818200000000 ] - [ -0.0194986300000000, 0.1931424500000000, 0.0707330800000000 ] - [ -0.0209345900000000, 0.1935517600000000, 0.0705021100000000 ] - [ 0.0869244800000000, -0.0014162400000000, -0.0096484200000000 ] - [ 0.0571704800000000, -0.0160891300000000, -0.0078418500000000 ] - [ -0.0564772000000000, -0.0165067000000000, 0.0074756700000000 ] - [ -0.0571743300000000, -0.0147986500000000, 0.0075794600000000 ] - [ -0.0567995000000000, 0.0156715400000000, 0.0084568600000000 ] - [ -0.0568317800000000, 0.0155154000000000, 0.0081841100000000 ] - [ 0.0570766800000000, 0.0155135400000000, -0.0082519300000000 ] - [ 0.0570420900000000, 0.0156022500000000, -0.0082985500000000 ] - [ -0.0095426800000000, 0.2019772900000000, 0.0795907100000000 ] - [ -0.0095455500000000, 0.2020001500000000, 0.0797705800000000 ] - [ 0.0094873500000000, 0.2020687200000000, -0.0799371700000000 ] - [ 0.0095794100000000, 0.2019965300000000, -0.0798190200000000 ] - [ 0.0093421000000000, -0.2020225000000000, -0.0799214000000000 ] - [ 0.0090919300000000, -0.2021192900000000, -0.0797362100000000 ] - [ -0.0046589900000000, -0.1999316100000000, 0.0658134000000000 ] - [ -0.0096848700000000, -0.2017947500000000, 0.0798083400000000 ]- atom: 33 displacement: [ -0.0099999992956673, 0.0000000000000000, -0.0000037532191477 ] forces: - [ -0.0066807800000000, 0.0061913000000000, -0.0165086500000000 ] - [ -0.0068022800000000, 0.0079682200000000, -0.0164897300000000 ] - [ -0.0064771500000000, -0.0072474600000000, -0.0168179900000000 ] - [ -0.0065784100000000, -0.0072269200000000, -0.0168516300000000 ] - [ 0.0066322100000000, -0.0070217000000000, 0.0169906800000000 ] - [ 0.0066509200000000, -0.0072461000000000, 0.0167762900000000 ] - [ 0.0073769400000000, 0.0074069700000000, 0.0159268000000000 ] - [ 0.0067273000000000, 0.0072099000000000, 0.0167356000000000 ] - [ -0.0016088100000000, -0.0003033300000000, -0.0053334900000000 ] - [ -0.0015759500000000, -0.0003255200000000, -0.0053017700000000 ] - [ 0.0006779500000000, -0.0003294300000000, 0.0057265000000000 ] - [ 0.0014430100000000, -0.0003024400000000, 0.0053302400000000 ] - [ 0.0014092100000000, 0.0002765900000000, 0.0053213400000000 ] - [ 0.0014406600000000, 0.0002733300000000, 0.0053178200000000 ] - [ -0.0017100200000000, 0.0003336900000000, -0.0064122600000000 ] - [ -0.0014911900000000, 0.0002336600000000, -0.0052671100000000 ] - [ 0.0119130000000000, -0.0064464500000000, 0.0015677900000000 ] - [ 0.0119679400000000, -0.0071802500000000, 0.0016124800000000 ] - [ -0.0123095200000000, -0.0065062300000000, -0.0010226200000000 ] - [ -0.0116284000000000, -0.0066839300000000, -0.0014924400000000 ] - [ -0.0117064000000000, 0.0067285300000000, -0.0017271500000000 ] - [ -0.0117649200000000, 0.0066759300000000, -0.0017442400000000 ] - [ 0.0133272700000000, 0.0061835400000000, 0.0026069000000000 ] - [ 0.0113572800000000, 0.0066822500000000, 0.0017487300000000 ] - [ -0.0003216700000000, -0.0040649600000000, 0.0088899800000000 ] - [ -0.0001108500000000, -0.0040555200000000, 0.0088631100000000 ] - [ 0.0000286900000000, -0.0051846400000000, -0.0093211600000000 ] - [ 0.0001097200000000, -0.0034351700000000, -0.0088894800000000 ] - [ -0.0002486800000000, 0.0041651000000000, -0.0089662700000000 ] - [ 0.0000522100000000, 0.0040813600000000, -0.0089608400000000 ] - [ -0.0001769500000000, 0.0040944200000000, 0.0089568400000000 ] - [ -0.0002222200000000, 0.0040368100000000, 0.0089541700000000 ] - [ 0.0502059000000000, -0.0288553800000000, -0.0408855800000000 ] - [ -0.0165646600000000, -0.0333895700000000, -0.0315963500000000 ] - [ -0.0206289100000000, -0.0490387900000000, -0.0057652300000000 ] - [ -0.0206438400000000, -0.0491984600000000, -0.0057384800000000 ] - [ -0.0235513300000000, 0.0511994900000000, -0.0075111300000000 ] - [ -0.0206211500000000, 0.0490407000000000, -0.0052886300000000 ] - [ 0.0240587300000000, 0.0459053600000000, 0.0038123600000000 ] - [ 0.0203041900000000, 0.0501572000000000, 0.0059995200000000 ] - [ 0.0434515000000000, -0.0189140400000000, -0.0210112000000000 ] - [ 0.0437181500000000, -0.0190208800000000, -0.0210072300000000 ] - [ -0.0437954700000000, -0.0189555400000000, 0.0208225900000000 ] - [ -0.0437144900000000, -0.0189057200000000, 0.0209546200000000 ] - [ -0.0441182500000000, 0.0189984800000000, 0.0208261200000000 ] - [ -0.0439310900000000, 0.0189684300000000, 0.0209747600000000 ] - [ 0.0448352500000000, 0.0226039000000000, -0.0191124100000000 ] - [ 0.0453351700000000, 0.0180492300000000, -0.0224364300000000 ] - [ 0.0434562000000000, -0.0187904500000000, -0.0269714800000000 ] - [ 0.0434351600000000, -0.0190233800000000, -0.0268398000000000 ] - [ -0.0436496100000000, -0.0187122400000000, 0.0268329100000000 ] - [ -0.0435366200000000, -0.0188275500000000, 0.0269259400000000 ] - [ -0.0497053900000000, 0.0174357800000000, 0.0311774300000000 ] - [ -0.0430892300000000, 0.0190312900000000, 0.0265161300000000 ] - [ 0.0431392300000000, 0.0188284700000000, -0.0269902700000000 ] - [ 0.0430235500000000, 0.0189333000000000, -0.0266934800000000 ] - [ 0.0154527500000000, -0.0338128100000000, 0.0311582800000000 ] - [ 0.0154526300000000, -0.0336525700000000, 0.0316787500000000 ] - [ -0.0156237000000000, 0.0335428000000000, -0.0314384000000000 ] - [ -0.0158081600000000, 0.0335798900000000, -0.0314399700000000 ] - [ 0.0156931300000000, 0.0338344700000000, 0.0311800200000000 ] - [ 0.0159141400000000, 0.0336977900000000, 0.0313699000000000 ] - [ 0.0211087200000000, -0.0491094200000000, 0.0058125300000000 ] - [ 0.0206983400000000, -0.0491549000000000, 0.0057345000000000 ] - [ 0.0584120300000000, 0.0242698200000000, -0.0259998000000000 ] - [ 0.0783469200000000, 0.0147595100000000, -0.0141731100000000 ] - [ 0.1320341700000000, 0.0061297600000000, 0.0077046100000000 ] - [ 0.1319835800000000, 0.0056509300000000, 0.0081505800000000 ] - [ 0.1318083600000000, -0.0056735000000000, 0.0083995300000000 ] - [ 0.1316757300000000, -0.0058910400000000, 0.0083266100000000 ] - [ -0.1315032000000000, -0.0058438400000000, -0.0083236600000000 ] - [ -0.1315799300000000, -0.0057459300000000, -0.0082943300000000 ] - [ -0.1319439600000000, 0.0044732200000000, -0.0084308400000000 ] - [ -0.1306551200000000, 0.0062965500000000, -0.0085013800000000 ] - [ -0.0786724600000000, 0.0158385100000000, 0.0145230400000000 ] - [ -0.0787341900000000, 0.0156591600000000, 0.0144210400000000 ] - [ -0.0783932700000000, -0.0159166900000000, 0.0145245600000000 ] - [ -0.0790136700000000, -0.0157557700000000, 0.0143313700000000 ] - [ 0.0791004600000000, -0.0158107400000000, -0.0144718300000000 ] - [ 0.0791040700000000, -0.0158457700000000, -0.0143343300000000 ] - [ -0.0253567700000000, -0.0067736800000000, -0.0640065500000000 ] - [ -0.0287728400000000, -0.0007376600000000, -0.0610097700000000 ] - [ 0.0253610800000000, -0.0061787900000000, 0.0648558700000000 ] - [ 0.0247140300000000, -0.0059587000000000, 0.0639345000000000 ] - [ 0.0245506800000000, 0.0059012200000000, 0.0640351300000000 ] - [ 0.0245391400000000, 0.0060802600000000, 0.0640988900000000 ] - [ -0.0246166800000000, 0.0059852800000000, -0.0643897600000000 ] - [ -0.0245286100000000, 0.0060032500000000, -0.0639573300000000 ] - [ -0.0214373400000000, -0.1937517700000000, 0.0709285900000000 ] - [ -0.0212074500000000, -0.1935580600000000, 0.0708062200000000 ] - [ 0.0212561000000000, -0.1936483400000000, -0.0706404100000000 ] - [ 0.0211853500000000, -0.1935966100000000, -0.0707916300000000 ] - [ 0.0213947100000000, 0.1932941500000000, -0.0708998000000000 ] - [ 0.0211741700000000, 0.1937275400000000, -0.0708067600000000 ] - [ -0.0227427600000000, 0.1940026200000000, 0.0708467200000000 ] - [ -0.0213067100000000, 0.1935910600000000, 0.0710803700000000 ] - [ 0.0257257000000000, -0.0304146900000000, -0.0066909000000000 ] - [ 0.0565613400000000, -0.0150230400000000, -0.0085450200000000 ] - [ -0.0572556700000000, -0.0145966000000000, 0.0089101300000000 ] - [ -0.0565513300000000, -0.0163101600000000, 0.0088086300000000 ] - [ -0.0569329400000000, 0.0154348200000000, 0.0079311800000000 ] - [ -0.0569007700000000, 0.0155928800000000, 0.0082059300000000 ] - [ 0.0566555900000000, 0.0155939400000000, -0.0081372000000000 ] - [ 0.0566905100000000, 0.0155057400000000, -0.0080903900000000 ] - [ -0.0096313600000000, 0.2020818700000000, 0.0800158100000000 ] - [ -0.0096304000000000, 0.2020592500000000, 0.0798372400000000 ] - [ 0.0096891000000000, 0.2019915400000000, -0.0796702200000000 ] - [ 0.0095964200000000, 0.2020634200000000, -0.0797894000000000 ] - [ 0.0098288900000000, -0.2020420100000000, -0.0796864200000000 ] - [ 0.0100832600000000, -0.2019407700000000, -0.0798711500000000 ] - [ -0.0146134700000000, -0.2041358600000000, 0.0937660000000000 ] - [ -0.0094915100000000, -0.2022627100000000, 0.0798007400000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0066585700000000, 0.0075395400000000, -0.0166446600000000 ] - [ -0.0078441200000000, 0.0068605600000000, -0.0168941300000000 ] - [ -0.0066555500000000, -0.0072035300000000, -0.0167278400000000 ] - [ -0.0066239300000000, -0.0072299200000000, -0.0167271000000000 ] - [ 0.0062254200000000, -0.0076093300000000, 0.0176381400000000 ] - [ 0.0065997600000000, -0.0071284000000000, 0.0167025900000000 ] - [ 0.0064840200000000, 0.0071054500000000, 0.0170835000000000 ] - [ 0.0064465700000000, 0.0073475900000000, 0.0165638700000000 ] - [ -0.0012669700000000, -0.0000836600000000, -0.0054884200000000 ] - [ -0.0015534500000000, -0.0005852800000000, -0.0054198700000000 ] - [ 0.0006459400000000, -0.0001543900000000, 0.0057449000000000 ] - [ 0.0016504000000000, -0.0003262000000000, 0.0053751700000000 ] - [ 0.0014914000000000, 0.0002422700000000, 0.0053451400000000 ] - [ 0.0015253300000000, 0.0003264600000000, 0.0054007400000000 ] - [ -0.0013921500000000, 0.0005300800000000, -0.0060492900000000 ] - [ -0.0014244900000000, 0.0002697300000000, -0.0052492000000000 ] - [ 0.0115718800000000, -0.0065234200000000, 0.0014055000000000 ] - [ 0.0117331400000000, -0.0069122900000000, 0.0014901800000000 ] - [ -0.0113457000000000, -0.0067344300000000, -0.0019560100000000 ] - [ -0.0118534300000000, -0.0066425200000000, -0.0014776200000000 ] - [ -0.0117585300000000, 0.0065384800000000, -0.0016686000000000 ] - [ -0.0116871400000000, 0.0067346200000000, -0.0015649800000000 ] - [ 0.0121567000000000, 0.0078078200000000, -0.0009562100000000 ] - [ 0.0117255200000000, 0.0074043400000000, 0.0020707300000000 ] - [ 0.0000288300000000, -0.0039829600000000, 0.0090315100000000 ] - [ -0.0000129000000000, -0.0040482100000000, 0.0088673800000000 ] - [ 0.0010440200000000, -0.0048951800000000, -0.0084523200000000 ] - [ -0.0000051400000000, -0.0038036900000000, -0.0088477300000000 ] - [ 0.0000756400000000, 0.0040716700000000, -0.0087814500000000 ] - [ 0.0001629300000000, 0.0041144300000000, -0.0090647500000000 ] - [ -0.0000151900000000, 0.0041419300000000, 0.0089122400000000 ] - [ -0.0000154500000000, 0.0039562000000000, 0.0089043100000000 ] - [ -0.0197145000000000, -0.1043136400000000, -0.0360168400000000 ] - [ -0.0160833300000000, -0.0330258800000000, -0.0313236400000000 ] - [ -0.0207167900000000, -0.0492929100000000, -0.0057342800000000 ] - [ -0.0207581300000000, -0.0488798700000000, -0.0058600300000000 ] - [ -0.0200438800000000, 0.0464530700000000, -0.0038558400000000 ] - [ -0.0211655400000000, 0.0491857400000000, -0.0063955800000000 ] - [ 0.0208275900000000, 0.0516848500000000, 0.0065313100000000 ] - [ 0.0191416300000000, 0.0512937100000000, 0.0027220800000000 ] - [ 0.0435272300000000, -0.0188008100000000, -0.0209467200000000 ] - [ 0.0437438600000000, -0.0189820200000000, -0.0209085700000000 ] - [ -0.0436277300000000, -0.0192901800000000, 0.0209382200000000 ] - [ -0.0435952000000000, -0.0188516600000000, 0.0209277700000000 ] - [ -0.0437654900000000, 0.0185533100000000, 0.0211758500000000 ] - [ -0.0435069900000000, 0.0190151700000000, 0.0208358300000000 ] - [ 0.0426986700000000, 0.0217644300000000, -0.0203435400000000 ] - [ 0.0468249100000000, 0.0212453800000000, -0.0225548400000000 ] - [ 0.0436573200000000, -0.0186663500000000, -0.0270252800000000 ] - [ 0.0435215000000000, -0.0190064600000000, -0.0268690700000000 ] - [ -0.0434176900000000, -0.0187830400000000, 0.0268898900000000 ] - [ -0.0435244300000000, -0.0187977100000000, 0.0268663100000000 ] - [ -0.0433433200000000, 0.0169938300000000, 0.0288029800000000 ] - [ -0.0434789600000000, 0.0188717500000000, 0.0266897900000000 ] - [ 0.0436019800000000, 0.0191320000000000, -0.0270885200000000 ] - [ 0.0436835400000000, 0.0191872500000000, -0.0268397700000000 ] - [ 0.0158188400000000, -0.0333124000000000, 0.0314326100000000 ] - [ 0.0156613900000000, -0.0333115900000000, 0.0316507700000000 ] - [ -0.0159295500000000, 0.0335737800000000, -0.0313799600000000 ] - [ -0.0158933800000000, 0.0336641900000000, -0.0313732100000000 ] - [ 0.0156395100000000, 0.0339307600000000, 0.0313145000000000 ] - [ 0.0157752900000000, 0.0334308800000000, 0.0314277000000000 ] - [ 0.0206603100000000, -0.0489732000000000, 0.0056960100000000 ] - [ 0.0205721200000000, -0.0492617900000000, 0.0059052900000000 ] - [ 0.0722633600000000, 0.0231058200000000, -0.0201857000000000 ] - [ 0.0786307900000000, 0.0148904300000000, -0.0143531200000000 ] - [ 0.1319506700000000, 0.0058144400000000, 0.0075327400000000 ] - [ 0.1312781800000000, 0.0059812800000000, 0.0080703500000000 ] - [ 0.1316611200000000, -0.0055273800000000, 0.0083410100000000 ] - [ 0.1315492900000000, -0.0059078600000000, 0.0083337200000000 ] - [ -0.1316477700000000, -0.0058126500000000, -0.0083849400000000 ] - [ -0.1317129200000000, -0.0058571300000000, -0.0083352800000000 ] - [ -0.1322760700000000, 0.0060589700000000, -0.0077430800000000 ] - [ -0.1323295600000000, 0.0059121300000000, -0.0080589400000000 ] - [ -0.0790973100000000, 0.0156674000000000, 0.0143143500000000 ] - [ -0.0789324800000000, 0.0157891000000000, 0.0144390100000000 ] - [ -0.0785948100000000, -0.0159575100000000, 0.0146375500000000 ] - [ -0.0790292400000000, -0.0157190600000000, 0.0143333100000000 ] - [ 0.0791868200000000, -0.0153385000000000, -0.0147239300000000 ] - [ 0.0790187300000000, -0.0158846100000000, -0.0142893900000000 ] - [ -0.0249416300000000, -0.0067499500000000, -0.0641103800000000 ] - [ -0.0306827000000000, 0.0347806800000000, -0.0463105200000000 ] - [ 0.0242118900000000, -0.0058955700000000, 0.0634439000000000 ] - [ 0.0245829800000000, -0.0059967700000000, 0.0643145400000000 ] - [ 0.0247882300000000, 0.0063225400000000, 0.0640351800000000 ] - [ 0.0244925300000000, 0.0058230400000000, 0.0642139400000000 ] - [ -0.0244450900000000, 0.0060048000000000, -0.0642793500000000 ] - [ -0.0244301100000000, 0.0060432900000000, -0.0640748800000000 ] - [ -0.0212159900000000, -0.1936899300000000, 0.0708655000000000 ] - [ -0.0212047800000000, -0.1935769800000000, 0.0706002400000000 ] - [ 0.0210784200000000, -0.1934870300000000, -0.0709025700000000 ] - [ 0.0212053700000000, -0.1936314900000000, -0.0707949700000000 ] - [ 0.0210344200000000, 0.1944010100000000, -0.0709223800000000 ] - [ 0.0211963600000000, 0.1934650800000000, -0.0707109800000000 ] - [ -0.0216831700000000, 0.1967424200000000, 0.0718358100000000 ] - [ -0.0212704800000000, 0.1935284900000000, 0.0712654800000000 ] - [ 0.0723382600000000, -0.0028260100000000, -0.0100440000000000 ] - [ 0.0574898900000000, -0.0161243300000000, -0.0077670400000000 ] - [ -0.0564748400000000, -0.0156481800000000, 0.0086363200000000 ] - [ -0.0564374300000000, -0.0153684600000000, 0.0084994800000000 ] - [ -0.0567187600000000, 0.0155353000000000, 0.0083629200000000 ] - [ -0.0566159900000000, 0.0153925900000000, 0.0080735700000000 ] - [ 0.0568810500000000, 0.0156603400000000, -0.0081553000000000 ] - [ 0.0568928600000000, 0.0154140200000000, -0.0081910600000000 ] - [ -0.0097535400000000, 0.2020603800000000, 0.0798818800000000 ] - [ -0.0095622000000000, 0.2020237400000000, 0.0797859200000000 ] - [ 0.0096461100000000, 0.2019983700000000, -0.0796903100000000 ] - [ 0.0096161900000000, 0.2020748000000000, -0.0797858900000000 ] - [ 0.0097044900000000, -0.2025109100000000, -0.0798036900000000 ] - [ 0.0091999200000000, -0.2020110700000000, -0.0798541500000000 ] - [ -0.0070059700000000, -0.2017819300000000, 0.0733571000000000 ] - [ -0.0100806500000000, -0.2027455600000000, 0.0804411000000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0065293900000000, 0.0069124700000000, -0.0168640400000000 ] - [ -0.0053459300000000, 0.0075876900000000, -0.0166116400000000 ] - [ -0.0065318700000000, -0.0072476500000000, -0.0167779400000000 ] - [ -0.0065631200000000, -0.0072206600000000, -0.0167789300000000 ] - [ 0.0069623500000000, -0.0068427100000000, 0.0158685000000000 ] - [ 0.0065869100000000, -0.0073194900000000, 0.0168039000000000 ] - [ 0.0067039100000000, 0.0073484300000000, 0.0164204200000000 ] - [ 0.0067403400000000, 0.0071032500000000, 0.0169422000000000 ] - [ -0.0017223700000000, -0.0004689200000000, -0.0052842300000000 ] - [ -0.0014385900000000, 0.0000331700000000, -0.0053539200000000 ] - [ 0.0023445100000000, -0.0003988800000000, 0.0050299500000000 ] - [ 0.0013418300000000, -0.0002238600000000, 0.0053982500000000 ] - [ 0.0014999300000000, 0.0003074700000000, 0.0054279700000000 ] - [ 0.0014665000000000, 0.0002238700000000, 0.0053724400000000 ] - [ -0.0015989300000000, 0.0000182400000000, -0.0047264800000000 ] - [ -0.0015670900000000, 0.0002811200000000, -0.0055240300000000 ] - [ 0.0117546600000000, -0.0068358500000000, 0.0016946500000000 ] - [ 0.0115960300000000, -0.0064466400000000, 0.0016107800000000 ] - [ -0.0119833800000000, -0.0066257500000000, -0.0011458000000000 ] - [ -0.0114750900000000, -0.0067139000000000, -0.0016238600000000 ] - [ -0.0115703400000000, 0.0068184000000000, -0.0014334000000000 ] - [ -0.0116412100000000, 0.0066228700000000, -0.0015362500000000 ] - [ 0.0111657400000000, 0.0055496200000000, 0.0040840900000000 ] - [ 0.0116032600000000, 0.0059476900000000, 0.0010230400000000 ] - [ -0.0000820400000000, -0.0041176800000000, 0.0087672200000000 ] - [ -0.0000401900000000, -0.0040517400000000, 0.0089314000000000 ] - [ -0.0009905500000000, -0.0032112000000000, -0.0093450700000000 ] - [ 0.0000590100000000, -0.0042955400000000, -0.0089513200000000 ] - [ -0.0000223600000000, 0.0040328700000000, -0.0090176600000000 ] - [ -0.0001097500000000, 0.0039859000000000, -0.0087344300000000 ] - [ -0.0000372900000000, 0.0039614400000000, 0.0088870400000000 ] - [ -0.0000381900000000, 0.0041455100000000, 0.0088952100000000 ] - [ -0.0115116000000000, 0.0356334100000000, -0.0278346100000000 ] - [ -0.0156683800000000, -0.0341692800000000, -0.0314517600000000 ] - [ -0.0206423700000000, -0.0490019700000000, -0.0058162200000000 ] - [ -0.0206014000000000, -0.0494142900000000, -0.0056906200000000 ] - [ -0.0213151400000000, 0.0518378300000000, -0.0076996000000000 ] - [ -0.0201935300000000, 0.0491097000000000, -0.0051519100000000 ] - [ 0.0205254100000000, 0.0465900400000000, 0.0050217300000000 ] - [ 0.0222180900000000, 0.0470231300000000, 0.0088160200000000 ] - [ 0.0436534600000000, -0.0190561500000000, -0.0209589700000000 ] - [ 0.0434374200000000, -0.0188767200000000, -0.0209945100000000 ] - [ -0.0435532500000000, -0.0185701300000000, 0.0209664800000000 ] - [ -0.0435851500000000, -0.0190059000000000, 0.0209773800000000 ] - [ -0.0434139400000000, 0.0193009900000000, 0.0207256200000000 ] - [ -0.0436721400000000, 0.0188433800000000, 0.0210717300000000 ] - [ 0.0444874700000000, 0.0160703300000000, -0.0215551900000000 ] - [ 0.0403596100000000, 0.0166317000000000, -0.0193593600000000 ] - [ 0.0434264300000000, -0.0189882900000000, -0.0267600000000000 ] - [ 0.0435617500000000, -0.0186485700000000, -0.0269159900000000 ] - [ -0.0436662600000000, -0.0188720200000000, 0.0268947000000000 ] - [ -0.0435577700000000, -0.0188575400000000, 0.0269176800000000 ] - [ -0.0437694100000000, 0.0206656500000000, 0.0249876200000000 ] - [ -0.0436039700000000, 0.0187827600000000, 0.0270945500000000 ] - [ 0.0434847300000000, 0.0185228100000000, -0.0266969100000000 ] - [ 0.0433996600000000, 0.0184702900000000, -0.0269479300000000 ] - [ 0.0159307000000000, -0.0338813500000000, 0.0313438400000000 ] - [ 0.0160889300000000, -0.0338806900000000, 0.0311231400000000 ] - [ -0.0158199700000000, 0.0336205300000000, -0.0313947700000000 ] - [ -0.0158585200000000, 0.0335300200000000, -0.0314016200000000 ] - [ 0.0161109900000000, 0.0332647400000000, 0.0314605100000000 ] - [ 0.0159759100000000, 0.0337643200000000, 0.0313468100000000 ] - [ 0.0206991800000000, -0.0493220000000000, 0.0058546300000000 ] - [ 0.0207866700000000, -0.0490319700000000, 0.0056449900000000 ] - [ 0.0859894100000000, 0.0084544200000000, -0.0084526000000000 ] - [ 0.0794828600000000, 0.0166436400000000, -0.0143745000000000 ] - [ 0.1312115100000000, 0.0057875300000000, 0.0090997600000000 ] - [ 0.1318819200000000, 0.0056149600000000, 0.0085643300000000 ] - [ 0.1314997400000000, -0.0060727000000000, 0.0082915100000000 ] - [ 0.1316111900000000, -0.0056928900000000, 0.0083000900000000 ] - [ -0.1315130700000000, -0.0057875900000000, -0.0082484800000000 ] - [ -0.1314483700000000, -0.0057428600000000, -0.0082981200000000 ] - [ -0.1308892500000000, 0.0055436500000000, -0.0088946600000000 ] - [ -0.1308336800000000, 0.0056860000000000, -0.0085686300000000 ] - [ -0.0790094200000000, 0.0158636400000000, 0.0144165500000000 ] - [ -0.0791736400000000, 0.0157436500000000, 0.0142923600000000 ] - [ -0.0795096000000000, -0.0155745600000000, 0.0140934500000000 ] - [ -0.0790774200000000, -0.0158133000000000, 0.0143963800000000 ] - [ 0.0789199000000000, -0.0161902900000000, -0.0140070700000000 ] - [ 0.0790874400000000, -0.0156458100000000, -0.0144391000000000 ] - [ -0.0240099600000000, -0.0052995600000000, -0.0641660500000000 ] - [ -0.0185215200000000, -0.0452998300000000, -0.0812036300000000 ] - [ 0.0247381700000000, -0.0061511400000000, 0.0648308400000000 ] - [ 0.0243684900000000, -0.0060508600000000, 0.0639583600000000 ] - [ 0.0241647700000000, 0.0057259300000000, 0.0642379400000000 ] - [ 0.0244577200000000, 0.0062239200000000, 0.0640614600000000 ] - [ -0.0245047300000000, 0.0060426300000000, -0.0639944700000000 ] - [ -0.0245185200000000, 0.0060039100000000, -0.0641999000000000 ] - [ -0.0210278100000000, -0.1934565100000000, 0.0707192600000000 ] - [ -0.0210402900000000, -0.1935698000000000, 0.0709795300000000 ] - [ 0.0211639400000000, -0.1936588100000000, -0.0706819000000000 ] - [ 0.0210369700000000, -0.1935147200000000, -0.0707901100000000 ] - [ 0.0212162400000000, 0.1927456800000000, -0.0706555400000000 ] - [ 0.0210442300000000, 0.1936783800000000, -0.0708765100000000 ] - [ -0.0205697900000000, 0.1903931400000000, 0.0697638200000000 ] - [ -0.0209740000000000, 0.1936015100000000, 0.0703251000000000 ] - [ 0.0410689400000000, -0.0283235100000000, -0.0063152900000000 ] - [ 0.0562369000000000, -0.0149883800000000, -0.0086231600000000 ] - [ -0.0572573000000000, -0.0154593200000000, 0.0077467200000000 ] - [ -0.0572909900000000, -0.0157389000000000, 0.0078935100000000 ] - [ -0.0570136100000000, 0.0155726300000000, 0.0080268700000000 ] - [ -0.0571161000000000, 0.0157147800000000, 0.0083161100000000 ] - [ 0.0568510100000000, 0.0154475300000000, -0.0082337100000000 ] - [ 0.0568388900000000, 0.0156936700000000, -0.0081976800000000 ] - [ -0.0094213700000000, 0.2019984900000000, 0.0797272400000000 ] - [ -0.0096138100000000, 0.2020362800000000, 0.0798236900000000 ] - [ 0.0095300300000000, 0.2020617700000000, -0.0799183900000000 ] - [ 0.0095591600000000, 0.2019854700000000, -0.0798220800000000 ] - [ 0.0094684900000000, -0.2015487800000000, -0.0798061200000000 ] - [ 0.0099744700000000, -0.2020496400000000, -0.0797526900000000 ] - [ -0.0122209900000000, -0.2022710700000000, 0.0864220800000000 ] - [ -0.0090980900000000, -0.2013067300000000, 0.0791679500000000 ]- atom: 33 displacement: [ -0.0000427683518374, 0.0000000000000000, 0.0099999085429858 ] forces: - [ -0.0065956700000000, 0.0076517500000000, -0.0165501400000000 ] - [ -0.0068252500000000, 0.0072708600000000, -0.0166794800000000 ] - [ -0.0064903000000000, -0.0072204800000000, -0.0168104400000000 ] - [ -0.0065723500000000, -0.0072389100000000, -0.0167706400000000 ] - [ 0.0065164700000000, -0.0069955900000000, 0.0169845200000000 ] - [ 0.0066220700000000, -0.0072001000000000, 0.0167539600000000 ] - [ 0.0076006300000000, 0.0076786300000000, 0.0173596600000000 ] - [ 0.0066383100000000, 0.0072217300000000, 0.0166493300000000 ] - [ -0.0018606600000000, 0.0000254300000000, -0.0054381200000000 ] - [ -0.0020123600000000, -0.0009985100000000, -0.0053689000000000 ] - [ 0.0022987500000000, -0.0001696100000000, 0.0051769900000000 ] - [ 0.0015776200000000, -0.0003654400000000, 0.0054810800000000 ] - [ 0.0013932000000000, 0.0002780500000000, 0.0053627500000000 ] - [ 0.0014723400000000, 0.0002667400000000, 0.0053993300000000 ] - [ -0.0015429200000000, 0.0002356200000000, -0.0051448100000000 ] - [ -0.0014913500000000, 0.0002382600000000, -0.0052999000000000 ] - [ 0.0119516000000000, -0.0064882800000000, 0.0017528600000000 ] - [ 0.0118563800000000, -0.0071085400000000, 0.0018014600000000 ] - [ -0.0114536300000000, -0.0069253500000000, -0.0016517900000000 ] - [ -0.0117295700000000, -0.0066941000000000, -0.0014575200000000 ] - [ -0.0116034900000000, 0.0067387400000000, -0.0015838700000000 ] - [ -0.0117358100000000, 0.0066488700000000, -0.0016004400000000 ] - [ 0.0107191500000000, 0.0040454000000000, 0.0044090800000000 ] - [ 0.0115830300000000, 0.0063662200000000, 0.0017601200000000 ] - [ -0.0000995400000000, -0.0041103500000000, 0.0088540500000000 ] - [ -0.0000009500000000, -0.0040386600000000, 0.0088112400000000 ] - [ 0.0005970900000000, -0.0034892700000000, -0.0082450700000000 ] - [ -0.0000180500000000, -0.0040608300000000, -0.0087506000000000 ] - [ -0.0003711700000000, 0.0044034700000000, -0.0082932800000000 ] - [ -0.0000104300000000, 0.0041251500000000, -0.0089909000000000 ] - [ 0.0000000300000000, 0.0039962400000000, 0.0089196400000000 ] - [ -0.0000635200000000, 0.0041363500000000, 0.0089434500000000 ] - [ -0.0067164300000000, -0.0377999100000000, -0.1004131800000000 ] - [ -0.0156707200000000, -0.0335303200000000, -0.0316941700000000 ] - [ -0.0205557700000000, -0.0491708900000000, -0.0057630800000000 ] - [ -0.0206704600000000, -0.0491758600000000, -0.0057527000000000 ] - [ -0.0203612400000000, 0.0506825100000000, -0.0057578800000000 ] - [ -0.0210698500000000, 0.0489657300000000, -0.0063622900000000 ] - [ 0.0224719700000000, 0.0498048200000000, 0.0054494200000000 ] - [ 0.0200613400000000, 0.0482622600000000, 0.0034834400000000 ] - [ 0.0435049100000000, -0.0189647700000000, -0.0208967600000000 ] - [ 0.0436338000000000, -0.0192207500000000, -0.0210804500000000 ] - [ -0.0436643800000000, -0.0187583700000000, 0.0208890500000000 ] - [ -0.0435900800000000, -0.0189363500000000, 0.0209421100000000 ] - [ -0.0436726700000000, 0.0186814100000000, 0.0211826300000000 ] - [ -0.0433385500000000, 0.0191076700000000, 0.0207341800000000 ] - [ 0.0421784300000000, 0.0171132600000000, -0.0234329400000000 ] - [ 0.0452604000000000, 0.0188812700000000, -0.0219121300000000 ] - [ 0.0434260500000000, -0.0188584000000000, -0.0268061800000000 ] - [ 0.0435030400000000, -0.0188475300000000, -0.0268758700000000 ] - [ -0.0434637600000000, -0.0185613700000000, 0.0269887300000000 ] - [ -0.0435769200000000, -0.0188190200000000, 0.0269643700000000 ] - [ -0.0484713900000000, 0.0206637900000000, 0.0215696800000000 ] - [ -0.0441315600000000, 0.0186397900000000, 0.0266681900000000 ] - [ 0.0438330300000000, 0.0190977800000000, -0.0273015500000000 ] - [ 0.0436484600000000, 0.0187068000000000, -0.0268007800000000 ] - [ 0.0155823600000000, -0.0338616900000000, 0.0313805100000000 ] - [ 0.0161034000000000, -0.0336415200000000, 0.0313826200000000 ] - [ -0.0158214800000000, 0.0335900600000000, -0.0311486800000000 ] - [ -0.0158230100000000, 0.0335828000000000, -0.0313671100000000 ] - [ 0.0160805300000000, 0.0335262500000000, 0.0313633700000000 ] - [ 0.0158932000000000, 0.0336382100000000, 0.0313772400000000 ] - [ 0.0207426300000000, -0.0490508800000000, 0.0058790600000000 ] - [ 0.0207343000000000, -0.0491822400000000, 0.0057424300000000 ] - [ 0.0890404500000000, 0.0099715000000000, -0.0034646500000000 ] - [ 0.0787605200000000, 0.0155401700000000, -0.0143376600000000 ] - [ 0.1323289500000000, 0.0052287100000000, 0.0098765600000000 ] - [ 0.1313956800000000, 0.0060045800000000, 0.0084961000000000 ] - [ 0.1317034700000000, -0.0059092900000000, 0.0081361700000000 ] - [ 0.1315981100000000, -0.0057967600000000, 0.0082786500000000 ] - [ -0.1314677500000000, -0.0058339400000000, -0.0083405500000000 ] - [ -0.1315513200000000, -0.0057804400000000, -0.0083160900000000 ] - [ -0.1311279000000000, 0.0067183300000000, -0.0074584700000000 ] - [ -0.1315102900000000, 0.0058783000000000, -0.0074382400000000 ] - [ -0.0791124400000000, 0.0155528500000000, 0.0143061500000000 ] - [ -0.0790389400000000, 0.0158078300000000, 0.0144118700000000 ] - [ -0.0791556900000000, -0.0156875700000000, 0.0142520300000000 ] - [ -0.0790559100000000, -0.0157315100000000, 0.0143625200000000 ] - [ 0.0792835000000000, -0.0159082500000000, -0.0148623200000000 ] - [ 0.0790957200000000, -0.0157941700000000, -0.0145027700000000 ] - [ -0.0244775000000000, -0.0056778200000000, -0.0639072900000000 ] - [ -0.0282787300000000, 0.0115226900000000, -0.0527331300000000 ] - [ 0.0251442900000000, -0.0059317900000000, 0.0646200300000000 ] - [ 0.0244256500000000, -0.0060810300000000, 0.0642681300000000 ] - [ 0.0245196700000000, 0.0059871400000000, 0.0640760700000000 ] - [ 0.0244405100000000, 0.0060568900000000, 0.0641484200000000 ] - [ -0.0245416800000000, 0.0058925900000000, -0.0643270900000000 ] - [ -0.0244955700000000, 0.0060725100000000, -0.0641038700000000 ] - [ -0.0211763900000000, -0.1936083000000000, 0.0708018200000000 ] - [ -0.0210491200000000, -0.1933311000000000, 0.0709785700000000 ] - [ 0.0210955300000000, -0.1936030500000000, -0.0706961600000000 ] - [ 0.0211209500000000, -0.1935786700000000, -0.0707811700000000 ] - [ 0.0210286000000000, 0.1933873000000000, -0.0710329800000000 ] - [ 0.0213548800000000, 0.1934727900000000, -0.0707523400000000 ] - [ -0.0206985800000000, 0.1953635700000000, 0.0709482800000000 ] - [ -0.0214715600000000, 0.1934918500000000, 0.0715048900000000 ] - [ 0.0545042800000000, -0.0181942500000000, -0.0041953400000000 ] - [ 0.0576850300000000, -0.0161028500000000, -0.0075510200000000 ] - [ -0.0570991200000000, -0.0152679900000000, 0.0088671600000000 ] - [ -0.0568549600000000, -0.0156575800000000, 0.0083389000000000 ] - [ -0.0569682700000000, 0.0156006900000000, 0.0082282900000000 ] - [ -0.0569196100000000, 0.0155777100000000, 0.0081439300000000 ] - [ 0.0567818300000000, 0.0155879500000000, -0.0082595300000000 ] - [ 0.0568147600000000, 0.0155429200000000, -0.0081788200000000 ] - [ -0.0097774700000000, 0.2021240400000000, 0.0794025700000000 ] - [ -0.0096118300000000, 0.2019975500000000, 0.0797284400000000 ] - [ 0.0095779100000000, 0.2020382800000000, -0.0798540300000000 ] - [ 0.0096046600000000, 0.2020230200000000, -0.0798209300000000 ] - [ 0.0093273400000000, -0.2021034900000000, -0.0798802500000000 ] - [ 0.0095597700000000, -0.2019394500000000, -0.0797696700000000 ] - [ -0.0215187900000000, -0.2073217700000000, 0.1240919400000000 ] - [ -0.0096418500000000, -0.2023887300000000, 0.0798820100000000 ]- atom: 33 displacement: [ 0.0000427683518374, 0.0000000000000000, -0.0099999085429858 ] forces: - [ -0.0065925600000000, 0.0067941200000000, -0.0169560600000000 ] - [ -0.0063627700000000, 0.0071767200000000, -0.0168272000000000 ] - [ -0.0066966400000000, -0.0072310600000000, -0.0166954900000000 ] - [ -0.0066144600000000, -0.0072118400000000, -0.0167360000000000 ] - [ 0.0066695700000000, -0.0074543900000000, 0.0165242800000000 ] - [ 0.0065646600000000, -0.0072482000000000, 0.0167528800000000 ] - [ 0.0055851000000000, 0.0067715300000000, 0.0161386300000000 ] - [ 0.0065489800000000, 0.0072286400000000, 0.0168566500000000 ] - [ -0.0011299200000000, -0.0005787600000000, -0.0053352500000000 ] - [ -0.0009841000000000, 0.0004461100000000, -0.0054087500000000 ] - [ 0.0006893900000000, -0.0003818900000000, 0.0056034800000000 ] - [ 0.0014143500000000, -0.0001841200000000, 0.0052925700000000 ] - [ 0.0015974000000000, 0.0002723100000000, 0.0054097400000000 ] - [ 0.0015190400000000, 0.0002837500000000, 0.0053730800000000 ] - [ -0.0014462300000000, 0.0003144800000000, -0.0056330200000000 ] - [ -0.0015002200000000, 0.0003127300000000, -0.0054730100000000 ] - [ 0.0113758100000000, -0.0068706600000000, 0.0013465900000000 ] - [ 0.0114762200000000, -0.0062512000000000, 0.0012989800000000 ] - [ -0.0118782800000000, -0.0064305000000000, -0.0014471700000000 ] - [ -0.0115988800000000, -0.0066624800000000, -0.0016432700000000 ] - [ -0.0117248300000000, 0.0066189600000000, -0.0015185700000000 ] - [ -0.0115919600000000, 0.0067088800000000, -0.0015018300000000 ] - [ 0.0125987900000000, 0.0092598800000000, -0.0012582800000000 ] - [ 0.0117461600000000, 0.0069930500000000, 0.0013417700000000 ] - [ 0.0000469900000000, -0.0039902800000000, 0.0089415900000000 ] - [ -0.0000524900000000, -0.0040615700000000, 0.0089870500000000 ] - [ -0.0005383400000000, -0.0046116000000000, -0.0095501000000000 ] - [ 0.0000716300000000, -0.0040400000000000, -0.0090473600000000 ] - [ 0.0004178000000000, 0.0037069200000000, -0.0095038700000000 ] - [ 0.0000638100000000, 0.0039750700000000, -0.0088088100000000 ] - [ -0.0000531600000000, 0.0041068500000000, 0.0088805300000000 ] - [ 0.0000101900000000, 0.0039643400000000, 0.0088570900000000 ] - [ -0.0259777400000000, -0.0296658500000000, 0.0392881300000000 ] - [ -0.0160792400000000, -0.0336601000000000, -0.0310777200000000 ] - [ -0.0208032200000000, -0.0491224500000000, -0.0057879800000000 ] - [ -0.0206887200000000, -0.0491181700000000, -0.0057982100000000 ] - [ -0.0210043500000000, 0.0476146400000000, -0.0057920700000000 ] - [ -0.0202901600000000, 0.0493269200000000, -0.0051859100000000 ] - [ 0.0188888300000000, 0.0484859100000000, 0.0061042900000000 ] - [ 0.0212936600000000, 0.0500307000000000, 0.0080641200000000 ] - [ 0.0436754900000000, -0.0188917600000000, -0.0210084600000000 ] - [ 0.0435484100000000, -0.0186394700000000, -0.0208231100000000 ] - [ -0.0435171800000000, -0.0191002200000000, 0.0210146800000000 ] - [ -0.0435908700000000, -0.0189206900000000, 0.0209628900000000 ] - [ -0.0435032300000000, 0.0191816600000000, 0.0207233500000000 ] - [ -0.0438429500000000, 0.0187488100000000, 0.0211731600000000 ] - [ 0.0449939000000000, 0.0207487100000000, -0.0184675000000000 ] - [ 0.0419196700000000, 0.0189777400000000, -0.0199858300000000 ] - [ 0.0436574500000000, -0.0187964400000000, -0.0269790400000000 ] - [ 0.0435795100000000, -0.0188089100000000, -0.0269088000000000 ] - [ -0.0436184000000000, -0.0190890000000000, 0.0267967900000000 ] - [ -0.0435045800000000, -0.0188366100000000, 0.0268198900000000 ] - [ -0.0386342100000000, 0.0169974700000000, 0.0322652400000000 ] - [ -0.0429503500000000, 0.0190159300000000, 0.0271175000000000 ] - [ 0.0432512200000000, 0.0185495500000000, -0.0264783900000000 ] - [ 0.0434342600000000, 0.0189493800000000, -0.0269867400000000 ] - [ 0.0161690100000000, -0.0333324000000000, 0.0313953100000000 ] - [ 0.0156447000000000, -0.0335523800000000, 0.0313928600000000 ] - [ -0.0159266000000000, 0.0336052100000000, -0.0316229800000000 ] - [ -0.0159289900000000, 0.0336111600000000, -0.0314076500000000 ] - [ 0.0156682400000000, 0.0336702800000000, 0.0314109300000000 ] - [ 0.0158581500000000, 0.0335565000000000, 0.0313975400000000 ] - [ 0.0206175600000000, -0.0492434100000000, 0.0056719600000000 ] - [ 0.0206246200000000, -0.0491123200000000, 0.0058081400000000 ] - [ 0.0692790300000000, 0.0214655700000000, -0.0252259700000000 ] - [ 0.0793499200000000, 0.0159931600000000, -0.0143893100000000 ] - [ 0.1308118700000000, 0.0063773900000000, 0.0067567500000000 ] - [ 0.1317664700000000, 0.0055930700000000, 0.0081374600000000 ] - [ 0.1314592900000000, -0.0056906600000000, 0.0084951700000000 ] - [ 0.1315627000000000, -0.0058042200000000, 0.0083555100000000 ] - [ -0.1316922300000000, -0.0057671300000000, -0.0082927000000000 ] - [ -0.1316102100000000, -0.0058181200000000, -0.0083175900000000 ] - [ -0.1320355800000000, 0.0048806800000000, -0.0091791200000000 ] - [ -0.1316544200000000, 0.0057185300000000, -0.0092006400000000 ] - [ -0.0789951000000000, 0.0159809400000000, 0.0144242000000000 ] - [ -0.0790660400000000, 0.0157239400000000, 0.0143191500000000 ] - [ -0.0789453700000000, -0.0158457300000000, 0.0144798800000000 ] - [ -0.0790507800000000, -0.0158007000000000, 0.0143674600000000 ] - [ 0.0788235400000000, -0.0156243900000000, -0.0138791500000000 ] - [ 0.0790111700000000, -0.0157375000000000, -0.0142266300000000 ] - [ -0.0244722500000000, -0.0063709200000000, -0.0643682900000000 ] - [ -0.0206723600000000, -0.0234146700000000, -0.0756172500000000 ] - [ 0.0238038400000000, -0.0061181400000000, 0.0636573500000000 ] - [ 0.0245241700000000, -0.0059644700000000, 0.0640066700000000 ] - [ 0.0244325600000000, 0.0060601100000000, 0.0641979900000000 ] - [ 0.0245102600000000, 0.0059899300000000, 0.0641271500000000 ] - [ -0.0244099000000000, 0.0061533800000000, -0.0639493700000000 ] - [ -0.0244539200000000, 0.0059747800000000, -0.0641705200000000 ] - [ -0.0210676200000000, -0.1935390600000000, 0.0707827000000000 ] - [ -0.0211974500000000, -0.1938161800000000, 0.0705986600000000 ] - [ 0.0211465800000000, -0.1935433600000000, -0.0708875400000000 ] - [ 0.0211218800000000, -0.1935678300000000, -0.0708037400000000 ] - [ 0.0212168300000000, 0.1937605100000000, -0.0705509300000000 ] - [ 0.0208848200000000, 0.1936724200000000, -0.0708319500000000 ] - [ -0.0215445400000000, 0.1917518200000000, 0.0706386900000000 ] - [ -0.0207712400000000, 0.1936390200000000, 0.0700800800000000 ] - [ 0.0593892500000000, -0.0128251100000000, -0.0122156400000000 ] - [ 0.0560454900000000, -0.0150091900000000, -0.0088361300000000 ] - [ -0.0566315900000000, -0.0158417000000000, 0.0075205500000000 ] - [ -0.0568710000000000, -0.0154452700000000, 0.0080517700000000 ] - [ -0.0567640100000000, 0.0155073100000000, 0.0081604700000000 ] - [ -0.0568125900000000, 0.0155304000000000, 0.0082466200000000 ] - [ 0.0569493200000000, 0.0155200200000000, -0.0081299900000000 ] - [ 0.0569169300000000, 0.0155646900000000, -0.0082104200000000 ] - [ -0.0094007900000000, 0.2019375100000000, 0.0802009900000000 ] - [ -0.0095647300000000, 0.2020631600000000, 0.0798808400000000 ] - [ 0.0095986700000000, 0.2020215500000000, -0.0797533900000000 ] - [ 0.0095709700000000, 0.2020374000000000, -0.0797869300000000 ] - [ 0.0098505700000000, -0.2019542300000000, -0.0797298500000000 ] - [ 0.0096155000000000, -0.2021207800000000, -0.0798389200000000 ] - [ 0.0029828800000000, -0.1965487300000000, 0.0338234100000000 ] - [ -0.0095357300000000, -0.2016553900000000, 0.0797251900000000 ]- atom: 35 displacement: [ 0.0099999992956673, 0.0000000000000000, 0.0000037532191477 ] forces: - [ -0.0066539200000000, 0.0071070600000000, -0.0168831200000000 ] - [ -0.0069639700000000, 0.0071384100000000, -0.0160696900000000 ] - [ -0.0080056600000000, -0.0076076300000000, -0.0161402400000000 ] - [ -0.0071183400000000, -0.0065471800000000, -0.0168035800000000 ] - [ 0.0086857700000000, -0.0050951900000000, 0.0128351200000000 ] - [ 0.0067697400000000, -0.0075282300000000, 0.0166955700000000 ] - [ 0.0064737700000000, 0.0071181700000000, 0.0169237700000000 ] - [ 0.0065430700000000, 0.0072872600000000, 0.0169097600000000 ] - [ -0.0014355900000000, -0.0002685400000000, -0.0053183400000000 ] - [ -0.0013889900000000, -0.0002601000000000, -0.0052971600000000 ] - [ 0.0015910600000000, -0.0003276200000000, 0.0054686700000000 ] - [ 0.0015431600000000, -0.0002936000000000, 0.0053270200000000 ] - [ 0.0019957600000000, -0.0001720200000000, 0.0054968300000000 ] - [ 0.0017843600000000, 0.0004089300000000, 0.0052438000000000 ] - [ -0.0013161300000000, 0.0001596700000000, -0.0053752400000000 ] - [ -0.0013814700000000, 0.0003404200000000, -0.0054115300000000 ] - [ 0.0116263900000000, -0.0067162400000000, 0.0016765000000000 ] - [ 0.0122674000000000, -0.0066138400000000, 0.0021918800000000 ] - [ -0.0120190000000000, -0.0061336200000000, -0.0017647000000000 ] - [ -0.0116813400000000, -0.0068547200000000, -0.0016762400000000 ] - [ -0.0127898600000000, 0.0058178300000000, -0.0017619100000000 ] - [ -0.0118385900000000, 0.0068298300000000, -0.0016713900000000 ] - [ 0.0118082500000000, 0.0065713300000000, 0.0014147800000000 ] - [ 0.0116338300000000, 0.0066924700000000, 0.0014376800000000 ] - [ 0.0003397600000000, -0.0036022700000000, 0.0083870600000000 ] - [ 0.0000288800000000, -0.0041322800000000, 0.0088985700000000 ] - [ 0.0001873300000000, -0.0040304400000000, -0.0090128300000000 ] - [ 0.0001279100000000, -0.0040636700000000, -0.0089006700000000 ] - [ 0.0002129700000000, 0.0040269900000000, -0.0088368000000000 ] - [ 0.0001537800000000, 0.0040644900000000, -0.0087634400000000 ] - [ -0.0001028000000000, 0.0042380400000000, 0.0088918200000000 ] - [ 0.0000182200000000, 0.0040201300000000, 0.0087820900000000 ] - [ -0.0159259700000000, -0.0336331800000000, -0.0312629300000000 ] - [ -0.0159111400000000, -0.0336744800000000, -0.0313776300000000 ] - [ -0.0855030600000000, -0.0503169300000000, -0.0062795100000000 ] - [ -0.0206983600000000, -0.0491789000000000, -0.0055755300000000 ] - [ -0.0211584700000000, 0.0487023800000000, -0.0057345700000000 ] - [ -0.0207325400000000, 0.0491365900000000, -0.0057601100000000 ] - [ 0.0206120300000000, 0.0491671400000000, 0.0057296600000000 ] - [ 0.0208336000000000, 0.0492581700000000, 0.0057819100000000 ] - [ 0.0441249300000000, -0.0187588700000000, -0.0214303200000000 ] - [ 0.0439552400000000, -0.0190424400000000, -0.0209537700000000 ] - [ -0.0382017000000000, -0.0195687600000000, 0.0247466900000000 ] - [ -0.0441105300000000, -0.0186328500000000, 0.0216680600000000 ] - [ -0.0434078600000000, 0.0190201000000000, 0.0209627600000000 ] - [ -0.0436561800000000, 0.0190335900000000, 0.0210140600000000 ] - [ 0.0436813300000000, 0.0188544400000000, -0.0209092700000000 ] - [ 0.0436775300000000, 0.0187962700000000, -0.0209093300000000 ] - [ 0.0444985300000000, -0.0188184500000000, -0.0263932300000000 ] - [ 0.0436647300000000, -0.0191008900000000, -0.0268514200000000 ] - [ -0.0429680500000000, -0.0191260300000000, 0.0270666700000000 ] - [ -0.0433739000000000, -0.0187602300000000, 0.0265928200000000 ] - [ -0.0433522200000000, 0.0188769000000000, 0.0268771000000000 ] - [ -0.0434389900000000, 0.0188847700000000, 0.0268426100000000 ] - [ 0.0435571000000000, 0.0188701400000000, -0.0269126900000000 ] - [ 0.0438015100000000, 0.0187250800000000, -0.0270070600000000 ] - [ 0.0158565700000000, -0.0334888100000000, 0.0314406100000000 ] - [ 0.0154450000000000, -0.0335766300000000, 0.0314469200000000 ] - [ -0.0130136500000000, 0.0329653600000000, -0.0310465100000000 ] - [ -0.0159343300000000, 0.0340831700000000, -0.0317767800000000 ] - [ 0.0125022900000000, 0.0337539600000000, 0.0331668300000000 ] - [ 0.0162505300000000, 0.0320540000000000, 0.0307679800000000 ] - [ 0.0219945700000000, -0.0498457400000000, 0.0057661000000000 ] - [ 0.0219982300000000, -0.0468601700000000, 0.0043049000000000 ] - [ 0.0789304400000000, 0.0158098300000000, -0.0143371100000000 ] - [ 0.0789838800000000, 0.0157517200000000, -0.0143751200000000 ] - [ 0.1313874800000000, 0.0057118800000000, 0.0083574400000000 ] - [ 0.1314826400000000, 0.0058056500000000, 0.0082932200000000 ] - [ 0.1311158100000000, -0.0053955500000000, 0.0079236400000000 ] - [ 0.1310741700000000, -0.0058079800000000, 0.0082078900000000 ] - [ -0.1321511300000000, -0.0056803300000000, -0.0084165500000000 ] - [ -0.1318253400000000, -0.0057118100000000, -0.0081619800000000 ] - [ -0.1317081400000000, 0.0057734200000000, -0.0083372300000000 ] - [ -0.1316830500000000, 0.0058687700000000, -0.0083469900000000 ] - [ -0.0790374100000000, 0.0157293200000000, 0.0143048100000000 ] - [ -0.0792536700000000, 0.0159449000000000, 0.0143668400000000 ] - [ -0.0789306700000000, -0.0163420500000000, 0.0133265100000000 ] - [ -0.0787003700000000, -0.0156472200000000, 0.0144098000000000 ] - [ 0.0783848600000000, -0.0157228000000000, -0.0144019000000000 ] - [ 0.0785644900000000, -0.0159961800000000, -0.0142581000000000 ] - [ -0.0244969600000000, -0.0059780000000000, -0.0640640300000000 ] - [ -0.0243573200000000, -0.0060071000000000, -0.0642235400000000 ] - [ 0.0245599100000000, -0.0057982700000000, 0.0644123800000000 ] - [ 0.0246526100000000, -0.0060352000000000, 0.0640582000000000 ] - [ 0.0316723100000000, 0.0004875800000000, 0.0749131400000000 ] - [ 0.0260397100000000, 0.0068035900000000, 0.0633702000000000 ] - [ -0.0252854900000000, 0.0064304000000000, -0.0643246400000000 ] - [ -0.0250163000000000, 0.0053741700000000, -0.0638121000000000 ] - [ -0.0211724700000000, -0.1939347800000000, 0.0710139000000000 ] - [ -0.0218886900000000, -0.1937441600000000, 0.0711586200000000 ] - [ 0.0469504200000000, -0.1878270400000000, -0.0853445500000000 ] - [ 0.0211073700000000, -0.1938055700000000, -0.0708352600000000 ] - [ 0.0213570500000000, 0.1935136600000000, -0.0710837600000000 ] - [ 0.0211252900000000, 0.1934198300000000, -0.0708411900000000 ] - [ -0.0211694200000000, 0.1935579200000000, 0.0707539800000000 ] - [ -0.0211385100000000, 0.1935915400000000, 0.0707550000000000 ] - [ 0.0570464400000000, -0.0154663400000000, -0.0079422700000000 ] - [ 0.0568976900000000, -0.0155338100000000, -0.0081718500000000 ] - [ -0.0568075500000000, -0.0155785400000000, 0.0081547300000000 ] - [ -0.0566180100000000, -0.0153932900000000, 0.0076748800000000 ] - [ -0.0466353600000000, 0.0023627700000000, 0.0000277300000000 ] - [ -0.0566542000000000, 0.0152735300000000, 0.0087365400000000 ] - [ 0.0718863100000000, 0.0262644100000000, 0.0043473600000000 ] - [ 0.0568756800000000, 0.0158676000000000, -0.0081970400000000 ] - [ -0.0103114200000000, 0.2022170100000000, 0.0800455800000000 ] - [ -0.0097504700000000, 0.2019230300000000, 0.0798547900000000 ] - [ 0.0087470600000000, 0.2037560400000000, -0.0798532700000000 ] - [ 0.0097492600000000, 0.2026202400000000, -0.0797843200000000 ] - [ 0.0096317300000000, -0.2019813200000000, -0.0799468600000000 ] - [ 0.0094438200000000, -0.2017753500000000, -0.0798067700000000 ] - [ -0.0096520500000000, -0.2020319800000000, 0.0797235100000000 ] - [ -0.0095849600000000, -0.2020366600000000, 0.0797866300000000 ]- atom: 35 displacement: [ -0.0099999992956673, 0.0000000000000000, -0.0000037532191477 ] forces: - [ -0.0065312400000000, 0.0073377700000000, -0.0166285400000000 ] - [ -0.0062229100000000, 0.0073080000000000, -0.0174422300000000 ] - [ -0.0051870300000000, -0.0068267300000000, -0.0173829100000000 ] - [ -0.0060667800000000, -0.0078982400000000, -0.0167033600000000 ] - [ 0.0045304000000000, -0.0093181900000000, 0.0206163700000000 ] - [ 0.0064167500000000, -0.0069146800000000, 0.0168127800000000 ] - [ 0.0067116400000000, 0.0073307300000000, 0.0165831600000000 ] - [ 0.0066428900000000, 0.0071590200000000, 0.0166024400000000 ] - [ -0.0015561800000000, -0.0002874500000000, -0.0054529600000000 ] - [ -0.0016020500000000, -0.0002953900000000, -0.0054747700000000 ] - [ 0.0013996400000000, -0.0002271400000000, 0.0053006200000000 ] - [ 0.0014478500000000, -0.0002612300000000, 0.0054452600000000 ] - [ 0.0009954800000000, 0.0007211800000000, 0.0052741300000000 ] - [ 0.0012064300000000, 0.0001466700000000, 0.0055266000000000 ] - [ -0.0016764600000000, 0.0003950000000000, -0.0053947700000000 ] - [ -0.0016090200000000, 0.0002178200000000, -0.0053592200000000 ] - [ 0.0117019300000000, -0.0066339200000000, 0.0014241400000000 ] - [ 0.0110620700000000, -0.0067369300000000, 0.0009050200000000 ] - [ -0.0113098100000000, -0.0072143200000000, -0.0013370800000000 ] - [ -0.0116475000000000, -0.0064969200000000, -0.0014250700000000 ] - [ -0.0105370900000000, 0.0075302300000000, -0.0013464800000000 ] - [ -0.0114891400000000, 0.0065194600000000, -0.0014294500000000 ] - [ 0.0115216400000000, 0.0067754900000000, 0.0016853300000000 ] - [ 0.0116944300000000, 0.0066570300000000, 0.0016636600000000 ] - [ -0.0003935800000000, -0.0044993700000000, 0.0094071800000000 ] - [ -0.0000803200000000, -0.0039736000000000, 0.0089002900000000 ] - [ -0.0001361800000000, -0.0040778600000000, -0.0087868500000000 ] - [ -0.0000761700000000, -0.0040439700000000, -0.0088977300000000 ] - [ -0.0001611200000000, 0.0040787600000000, -0.0089633300000000 ] - [ -0.0001026200000000, 0.0040416300000000, -0.0090361500000000 ] - [ 0.0000499700000000, 0.0038670900000000, 0.0089070500000000 ] - [ -0.0000657600000000, 0.0040882500000000, 0.0090181000000000 ] - [ -0.0158245100000000, -0.0335600500000000, -0.0315109800000000 ] - [ -0.0158393400000000, -0.0335186900000000, -0.0313965000000000 ] - [ 0.0447071800000000, -0.0479524800000000, -0.0059674900000000 ] - [ -0.0206631900000000, -0.0491150600000000, -0.0059708100000000 ] - [ -0.0202029700000000, 0.0495936200000000, -0.0058183500000000 ] - [ -0.0206278600000000, 0.0491578100000000, -0.0057925800000000 ] - [ 0.0207494100000000, 0.0491259200000000, 0.0058232100000000 ] - [ 0.0205281100000000, 0.0490371800000000, 0.0057701200000000 ] - [ 0.0430586000000000, -0.0190973400000000, -0.0204785400000000 ] - [ 0.0432244100000000, -0.0188176300000000, -0.0209493400000000 ] - [ -0.0490561300000000, -0.0182731800000000, 0.0171062500000000 ] - [ -0.0430736600000000, -0.0192255900000000, 0.0202364200000000 ] - [ -0.0437715000000000, 0.0188384400000000, 0.0209435800000000 ] - [ -0.0435227500000000, 0.0188231800000000, 0.0208901500000000 ] - [ 0.0434971500000000, 0.0190029500000000, -0.0209963400000000 ] - [ 0.0435017600000000, 0.0190631000000000, -0.0209964200000000 ] - [ 0.0425806400000000, -0.0188422600000000, -0.0273856900000000 ] - [ 0.0434199000000000, -0.0185519700000000, -0.0269344400000000 ] - [ -0.0441131900000000, -0.0185284700000000, 0.0267245200000000 ] - [ -0.0437100200000000, -0.0188944300000000, 0.0271925400000000 ] - [ -0.0437311000000000, 0.0187779800000000, 0.0269081400000000 ] - [ -0.0436450100000000, 0.0187701100000000, 0.0269430600000000 ] - [ 0.0435257000000000, 0.0187856300000000, -0.0268729500000000 ] - [ 0.0432819000000000, 0.0189308500000000, -0.0267782400000000 ] - [ 0.0158943500000000, -0.0337045500000000, 0.0313317200000000 ] - [ 0.0163040000000000, -0.0336167600000000, 0.0313263800000000 ] - [ -0.0187310100000000, 0.0342390600000000, -0.0317149500000000 ] - [ -0.0158144300000000, 0.0331116900000000, -0.0309968900000000 ] - [ 0.0192424600000000, 0.0334523100000000, 0.0296135800000000 ] - [ 0.0154958300000000, 0.0351335000000000, 0.0319994600000000 ] - [ 0.0193685500000000, -0.0484552700000000, 0.0057784900000000 ] - [ 0.0193710000000000, -0.0514293200000000, 0.0072487300000000 ] - [ 0.0791771300000000, 0.0157222100000000, -0.0143898900000000 ] - [ 0.0791232500000000, 0.0157804400000000, -0.0143527900000000 ] - [ 0.1317727600000000, 0.0058870500000000, 0.0082757100000000 ] - [ 0.1316779000000000, 0.0057936500000000, 0.0083392700000000 ] - [ 0.1320481300000000, -0.0062094400000000, 0.0087126000000000 ] - [ 0.1320848500000000, -0.0057938500000000, 0.0084195800000000 ] - [ -0.1310155300000000, -0.0059214600000000, -0.0082168700000000 ] - [ -0.1313368000000000, -0.0058878400000000, -0.0084699500000000 ] - [ -0.1314516500000000, 0.0058262600000000, -0.0082952500000000 ] - [ -0.1314775300000000, 0.0057298600000000, -0.0082848500000000 ] - [ -0.0790687100000000, 0.0158037700000000, 0.0144249200000000 ] - [ -0.0788507900000000, 0.0155862900000000, 0.0143617200000000 ] - [ -0.0791704400000000, -0.0151895000000000, 0.0154081700000000 ] - [ -0.0794117500000000, -0.0158796300000000, 0.0143169800000000 ] - [ 0.0797329200000000, -0.0158106200000000, -0.0143287200000000 ] - [ 0.0795442900000000, -0.0155366600000000, -0.0144704100000000 ] - [ -0.0244535700000000, -0.0060692900000000, -0.0642124900000000 ] - [ -0.0245947900000000, -0.0060414500000000, -0.0640519300000000 ] - [ 0.0243878300000000, -0.0062507500000000, 0.0638578900000000 ] - [ 0.0242972300000000, -0.0060120100000000, 0.0642177600000000 ] - [ 0.0173216700000000, 0.0116103800000000, 0.0532760400000000 ] - [ 0.0229095500000000, 0.0052446800000000, 0.0649035800000000 ] - [ -0.0236683200000000, 0.0056201400000000, -0.0639507200000000 ] - [ -0.0239375800000000, 0.0066759300000000, -0.0644641900000000 ] - [ -0.0210670100000000, -0.1932138300000000, 0.0705720700000000 ] - [ -0.0203543100000000, -0.1934032100000000, 0.0704263200000000 ] - [ -0.0054588600000000, -0.1996041500000000, -0.0556177200000000 ] - [ 0.0211356900000000, -0.1933312300000000, -0.0707463100000000 ] - [ 0.0208825200000000, 0.1936323400000000, -0.0705012200000000 ] - [ 0.0211173500000000, 0.1937270000000000, -0.0707424900000000 ] - [ -0.0210720800000000, 0.1935880900000000, 0.0708311400000000 ] - [ -0.0211038200000000, 0.1935541300000000, 0.0708304100000000 ] - [ 0.0566840800000000, -0.0156436300000000, -0.0084447600000000 ] - [ 0.0568328100000000, -0.0155748000000000, -0.0082154400000000 ] - [ -0.0569236400000000, -0.0155298500000000, 0.0082331100000000 ] - [ -0.0571131000000000, -0.0157162900000000, 0.0087092300000000 ] - [ -0.0671247500000000, 0.0286037300000000, 0.0162840000000000 ] - [ -0.0570753500000000, 0.0158305700000000, 0.0076509600000000 ] - [ 0.0420686700000000, 0.0051577000000000, -0.0203641000000000 ] - [ 0.0568521700000000, 0.0152371400000000, -0.0081907400000000 ] - [ -0.0088665700000000, 0.2018423600000000, 0.0795605300000000 ] - [ -0.0094244300000000, 0.2021359000000000, 0.0797514700000000 ] - [ 0.0104228500000000, 0.2002785600000000, -0.0797610600000000 ] - [ 0.0094326100000000, 0.2014292700000000, -0.0798247300000000 ] - [ 0.0095441700000000, -0.2020765100000000, -0.0796587500000000 ] - [ 0.0097333200000000, -0.2022829600000000, -0.0798011300000000 ] - [ -0.0095251100000000, -0.2020257200000000, 0.0798850700000000 ] - [ -0.0095917500000000, -0.2020212100000000, 0.0798209400000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0065172800000000, 0.0073912600000000, -0.0164885100000000 ] - [ -0.0063414400000000, 0.0073683900000000, -0.0170201700000000 ] - [ -0.0069384600000000, -0.0057233600000000, -0.0197332200000000 ] - [ -0.0064971500000000, -0.0069091500000000, -0.0166684800000000 ] - [ 0.0086239400000000, -0.0077859400000000, 0.0147867600000000 ] - [ 0.0065033600000000, -0.0063696400000000, 0.0167730400000000 ] - [ 0.0066542300000000, 0.0070659700000000, 0.0169210100000000 ] - [ 0.0065949100000000, 0.0072887300000000, 0.0167590400000000 ] - [ -0.0015131000000000, -0.0002633900000000, -0.0054152600000000 ] - [ -0.0015332100000000, -0.0002601000000000, -0.0052361100000000 ] - [ 0.0014406000000000, -0.0003687900000000, 0.0054846800000000 ] - [ 0.0014714400000000, -0.0002378100000000, 0.0053852300000000 ] - [ 0.0020256400000000, -0.0003834600000000, 0.0053124100000000 ] - [ 0.0014156100000000, 0.0004232000000000, 0.0054510600000000 ] - [ -0.0013966600000000, 0.0001384700000000, -0.0053531900000000 ] - [ -0.0014943000000000, 0.0003793600000000, -0.0053947200000000 ] - [ 0.0116542500000000, -0.0066736200000000, 0.0015079800000000 ] - [ 0.0119364500000000, -0.0063193800000000, 0.0021952800000000 ] - [ -0.0110026700000000, -0.0075563800000000, -0.0010813000000000 ] - [ -0.0117094600000000, -0.0064979700000000, -0.0015671000000000 ] - [ -0.0123420000000000, 0.0064280600000000, -0.0013119700000000 ] - [ -0.0115722900000000, 0.0067536900000000, -0.0015629300000000 ] - [ 0.0107464200000000, 0.0065195900000000, 0.0020515700000000 ] - [ 0.0117337000000000, 0.0067222800000000, 0.0014769000000000 ] - [ 0.0000836300000000, -0.0036536000000000, 0.0084076100000000 ] - [ -0.0000482500000000, -0.0039906900000000, 0.0089597700000000 ] - [ 0.0000481400000000, -0.0041019900000000, -0.0089798300000000 ] - [ -0.0000476800000000, -0.0040095100000000, -0.0088659800000000 ] - [ -0.0000416700000000, 0.0038521900000000, -0.0089433200000000 ] - [ -0.0000032300000000, 0.0041290200000000, -0.0088912400000000 ] - [ 0.0000264700000000, 0.0040990200000000, 0.0089405400000000 ] - [ -0.0006730000000000, 0.0043576700000000, 0.0086619200000000 ] - [ -0.0159837500000000, -0.0337415200000000, -0.0314107800000000 ] - [ -0.0158241400000000, -0.0333289000000000, -0.0314148400000000 ] - [ -0.0222344700000000, -0.1132622600000000, -0.0128929900000000 ] - [ -0.0207133200000000, -0.0485735600000000, -0.0057616300000000 ] - [ -0.0202355900000000, 0.0487247500000000, -0.0058561700000000 ] - [ -0.0206702000000000, 0.0492731900000000, -0.0057543400000000 ] - [ 0.0207016900000000, 0.0492632300000000, 0.0057813100000000 ] - [ 0.0207915200000000, 0.0492527300000000, 0.0057757100000000 ] - [ 0.0438483400000000, -0.0186747000000000, -0.0212548300000000 ] - [ 0.0435486600000000, -0.0185211700000000, -0.0209297100000000 ] - [ -0.0447341100000000, -0.0211200200000000, 0.0237785400000000 ] - [ -0.0433268100000000, -0.0188445200000000, 0.0204342100000000 ] - [ -0.0436540200000000, 0.0185986800000000, 0.0206348100000000 ] - [ -0.0436400300000000, 0.0190674100000000, 0.0209558600000000 ] - [ 0.0434202000000000, 0.0188398500000000, -0.0210012700000000 ] - [ 0.0436144200000000, 0.0190134700000000, -0.0209503700000000 ] - [ 0.0439085000000000, -0.0182227800000000, -0.0265268700000000 ] - [ 0.0433268700000000, -0.0189218100000000, -0.0271525000000000 ] - [ -0.0435153300000000, -0.0196584600000000, 0.0267430100000000 ] - [ -0.0437634000000000, -0.0186579900000000, 0.0268193500000000 ] - [ -0.0435729900000000, 0.0187582400000000, 0.0269324100000000 ] - [ -0.0435502700000000, 0.0188755000000000, 0.0269072400000000 ] - [ 0.0436150000000000, 0.0187057100000000, -0.0268778100000000 ] - [ 0.0434436800000000, 0.0189267700000000, -0.0269255600000000 ] - [ 0.0158676500000000, -0.0337109000000000, 0.0314210200000000 ] - [ 0.0159130900000000, -0.0334215400000000, 0.0312899200000000 ] - [ -0.0138204600000000, 0.0309031600000000, -0.0329130100000000 ] - [ -0.0159821100000000, 0.0336343600000000, -0.0312059300000000 ] - [ 0.0191037200000000, 0.0361303400000000, 0.0320599300000000 ] - [ 0.0148654300000000, 0.0357368600000000, 0.0304913000000000 ] - [ 0.0184002400000000, -0.0472110000000000, 0.0033741100000000 ] - [ 0.0213798400000000, -0.0471972200000000, 0.0063673000000000 ] - [ 0.0790655500000000, 0.0159273300000000, -0.0143853400000000 ] - [ 0.0790973400000000, 0.0156919400000000, -0.0143666600000000 ] - [ 0.1316804400000000, 0.0059314800000000, 0.0083615200000000 ] - [ 0.1315924200000000, 0.0057496400000000, 0.0083106200000000 ] - [ 0.1318313600000000, -0.0050983800000000, 0.0078562000000000 ] - [ 0.1319194200000000, -0.0058304300000000, 0.0083201300000000 ] - [ -0.1319200100000000, -0.0056049200000000, -0.0082846000000000 ] - [ -0.1313965100000000, -0.0059674200000000, -0.0082019800000000 ] - [ -0.1315642200000000, 0.0057931200000000, -0.0083192600000000 ] - [ -0.1315222300000000, 0.0058040300000000, -0.0082848300000000 ] - [ -0.0790889400000000, 0.0156794700000000, 0.0144038100000000 ] - [ -0.0789491200000000, 0.0156720200000000, 0.0147127800000000 ] - [ -0.0796365400000000, -0.0154827100000000, 0.0138137000000000 ] - [ -0.0793387600000000, -0.0156616400000000, 0.0145982600000000 ] - [ 0.0775293100000000, -0.0155589400000000, -0.0142951400000000 ] - [ 0.0789983800000000, -0.0157489600000000, -0.0141742900000000 ] - [ -0.0243650300000000, -0.0062736600000000, -0.0643355100000000 ] - [ -0.0245728900000000, -0.0060106100000000, -0.0640894600000000 ] - [ 0.0241736000000000, -0.0057404700000000, 0.0642290700000000 ] - [ 0.0244863700000000, -0.0061611700000000, 0.0641446900000000 ] - [ 0.0208516700000000, 0.0160801200000000, 0.0509016100000000 ] - [ 0.0240579700000000, 0.0052712200000000, 0.0640768900000000 ] - [ -0.0241572900000000, 0.0062416100000000, -0.0633207300000000 ] - [ -0.0240124800000000, 0.0063495200000000, -0.0643389200000000 ] - [ -0.0208156500000000, -0.1939086700000000, 0.0713093400000000 ] - [ -0.0214895400000000, -0.1936972200000000, 0.0710516900000000 ] - [ 0.0246732800000000, -0.1878840800000000, -0.0741356400000000 ] - [ 0.0212775700000000, -0.1941878900000000, -0.0708784300000000 ] - [ 0.0213478000000000, 0.1938604600000000, -0.0702556600000000 ] - [ 0.0211232400000000, 0.1935555100000000, -0.0708148800000000 ] - [ -0.0209633900000000, 0.1935256500000000, 0.0708568300000000 ] - [ -0.0210977600000000, 0.1934851700000000, 0.0707095000000000 ] - [ 0.0566585600000000, -0.0153547100000000, -0.0087086700000000 ] - [ 0.0568015300000000, -0.0156793700000000, -0.0081776100000000 ] - [ -0.0568877700000000, -0.0156020400000000, 0.0081845800000000 ] - [ -0.0569117100000000, -0.0154577600000000, 0.0079026600000000 ] - [ -0.0693630600000000, 0.0427162500000000, 0.0239063100000000 ] - [ -0.0567893300000000, 0.0146927800000000, 0.0084466700000000 ] - [ 0.0678819900000000, 0.0303655600000000, 0.0035430500000000 ] - [ 0.0571218200000000, 0.0150407100000000, -0.0078173900000000 ] - [ -0.0097133200000000, 0.2023383200000000, 0.0802050000000000 ] - [ -0.0093072200000000, 0.2018682400000000, 0.0797793100000000 ] - [ 0.0104075300000000, 0.2029959500000000, -0.0805281500000000 ] - [ 0.0093790300000000, 0.2018664200000000, -0.0793465400000000 ] - [ 0.0095871300000000, -0.2020078200000000, -0.0799294000000000 ] - [ 0.0096745300000000, -0.2019375300000000, -0.0796737900000000 ] - [ -0.0095225500000000, -0.2020114500000000, 0.0797140700000000 ] - [ -0.0096473100000000, -0.2020827600000000, 0.0798256800000000 ]- atom: 35 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0066687100000000, 0.0070567100000000, -0.0170160400000000 ] - [ -0.0068469300000000, 0.0070788300000000, -0.0164877300000000 ] - [ -0.0062395900000000, -0.0087447300000000, -0.0137298900000000 ] - [ -0.0066874200000000, -0.0075380400000000, -0.0168376700000000 ] - [ 0.0045682400000000, -0.0066745400000000, 0.0187144100000000 ] - [ 0.0066807700000000, -0.0080688300000000, 0.0167343100000000 ] - [ 0.0065314900000000, 0.0073838400000000, 0.0165844300000000 ] - [ 0.0065915400000000, 0.0071592100000000, 0.0167506100000000 ] - [ -0.0014782100000000, -0.0002903500000000, -0.0053573000000000 ] - [ -0.0014578700000000, -0.0002924800000000, -0.0055365300000000 ] - [ 0.0015508500000000, -0.0001844000000000, 0.0052869700000000 ] - [ 0.0015202400000000, -0.0003144700000000, 0.0053878000000000 ] - [ 0.0009634100000000, 0.0009369600000000, 0.0054618300000000 ] - [ 0.0015760200000000, 0.0001308100000000, 0.0053214700000000 ] - [ -0.0015955400000000, 0.0004140500000000, -0.0054187800000000 ] - [ -0.0014964400000000, 0.0001757100000000, -0.0053778800000000 ] - [ 0.0116740400000000, -0.0066799200000000, 0.0015937500000000 ] - [ 0.0113921300000000, -0.0070322000000000, 0.0009057500000000 ] - [ -0.0123271000000000, -0.0057964000000000, -0.0020224200000000 ] - [ -0.0116188100000000, -0.0068563300000000, -0.0015348000000000 ] - [ -0.0109871700000000, 0.0069217300000000, -0.0017911300000000 ] - [ -0.0117559600000000, 0.0065996900000000, -0.0015390300000000 ] - [ 0.0125805500000000, 0.0068267100000000, 0.0010503700000000 ] - [ 0.0115946800000000, 0.0066300200000000, 0.0016244500000000 ] - [ -0.0001346500000000, -0.0044505100000000, 0.0093900300000000 ] - [ -0.0000036700000000, -0.0041123400000000, 0.0088398900000000 ] - [ 0.0000032900000000, -0.0040030600000000, -0.0088200200000000 ] - [ 0.0000997900000000, -0.0040954800000000, -0.0089330500000000 ] - [ 0.0000940200000000, 0.0042509200000000, -0.0088554400000000 ] - [ 0.0000551400000000, 0.0039746200000000, -0.0089072200000000 ] - [ -0.0000783700000000, 0.0040055200000000, 0.0088577500000000 ] - [ 0.0006232700000000, 0.0037491200000000, 0.0091365100000000 ] - [ -0.0157672200000000, -0.0334515400000000, -0.0313629000000000 ] - [ -0.0159265600000000, -0.0338640700000000, -0.0313587200000000 ] - [ -0.0198854700000000, 0.0156773400000000, 0.0019218600000000 ] - [ -0.0206486200000000, -0.0497184400000000, -0.0057907500000000 ] - [ -0.0211259200000000, 0.0495687900000000, -0.0056966200000000 ] - [ -0.0206904900000000, 0.0490203100000000, -0.0057977100000000 ] - [ 0.0206593400000000, 0.0490290400000000, 0.0057716700000000 ] - [ 0.0205696900000000, 0.0490413400000000, 0.0057767800000000 ] - [ 0.0433343000000000, -0.0191833500000000, -0.0206531100000000 ] - [ 0.0436290100000000, -0.0193369300000000, -0.0209746100000000 ] - [ -0.0424187200000000, -0.0167428800000000, 0.0181380300000000 ] - [ -0.0438533900000000, -0.0190128900000000, 0.0214671500000000 ] - [ -0.0435244600000000, 0.0192571600000000, 0.0212689500000000 ] - [ -0.0435388500000000, 0.0187899600000000, 0.0209487900000000 ] - [ 0.0437583500000000, 0.0190162600000000, -0.0209032200000000 ] - [ 0.0435645900000000, 0.0188446700000000, -0.0209544600000000 ] - [ 0.0431783200000000, -0.0194336200000000, -0.0272494300000000 ] - [ 0.0437545500000000, -0.0187323400000000, -0.0266388300000000 ] - [ -0.0435683800000000, -0.0179994500000000, 0.0270464100000000 ] - [ -0.0433212600000000, -0.0189951600000000, 0.0269655700000000 ] - [ -0.0435098400000000, 0.0188964900000000, 0.0268534100000000 ] - [ -0.0435331500000000, 0.0187791600000000, 0.0268786500000000 ] - [ 0.0434683800000000, 0.0189495500000000, -0.0269081600000000 ] - [ 0.0436399400000000, 0.0187295600000000, -0.0268599900000000 ] - [ 0.0158833700000000, -0.0334821300000000, 0.0313523400000000 ] - [ 0.0158379000000000, -0.0337713200000000, 0.0314835000000000 ] - [ -0.0179277100000000, 0.0362892700000000, -0.0298640900000000 ] - [ -0.0157676000000000, 0.0335597200000000, -0.0315673500000000 ] - [ 0.0126262600000000, 0.0310372200000000, 0.0307147300000000 ] - [ 0.0168843700000000, 0.0314675400000000, 0.0322696600000000 ] - [ 0.0229666100000000, -0.0511025700000000, 0.0081679300000000 ] - [ 0.0199888600000000, -0.0510888500000000, 0.0051889000000000 ] - [ 0.0790419100000000, 0.0156056300000000, -0.0143421100000000 ] - [ 0.0790096100000000, 0.0158403500000000, -0.0143614200000000 ] - [ 0.1314797800000000, 0.0056676800000000, 0.0082718100000000 ] - [ 0.1315682600000000, 0.0058495000000000, 0.0083220800000000 ] - [ 0.1313306700000000, -0.0064987800000000, 0.0087802200000000 ] - [ 0.1312448800000000, -0.0057711400000000, 0.0083102600000000 ] - [ -0.1312418600000000, -0.0059908800000000, -0.0083516000000000 ] - [ -0.1317637400000000, -0.0056336000000000, -0.0084304400000000 ] - [ -0.1315960100000000, 0.0058065600000000, -0.0083137000000000 ] - [ -0.1316384000000000, 0.0057947800000000, -0.0083474300000000 ] - [ -0.0790170600000000, 0.0158535500000000, 0.0143244900000000 ] - [ -0.0791583200000000, 0.0158603600000000, 0.0140144400000000 ] - [ -0.0784652800000000, -0.0160455200000000, 0.0149098700000000 ] - [ -0.0787770900000000, -0.0158688400000000, 0.0141310500000000 ] - [ 0.0805797400000000, -0.0159739900000000, -0.0144334400000000 ] - [ 0.0791108600000000, -0.0157823000000000, -0.0145522500000000 ] - [ -0.0245834300000000, -0.0057740900000000, -0.0639413600000000 ] - [ -0.0243779600000000, -0.0060372300000000, -0.0641856100000000 ] - [ 0.0247770100000000, -0.0063066800000000, 0.0640462800000000 ] - [ 0.0244636800000000, -0.0058865000000000, 0.0641300200000000 ] - [ 0.0280054600000000, -0.0040189000000000, 0.0771258900000000 ] - [ 0.0248900900000000, 0.0067773300000000, 0.0641975100000000 ] - [ -0.0247956100000000, 0.0058110700000000, -0.0649539300000000 ] - [ -0.0249372800000000, 0.0057054900000000, -0.0639371500000000 ] - [ -0.0214200600000000, -0.1932339400000000, 0.0702810300000000 ] - [ -0.0207524000000000, -0.1934494500000000, 0.0705315000000000 ] - [ 0.0175846700000000, -0.1991978400000000, -0.0674593000000000 ] - [ 0.0209676500000000, -0.1929530300000000, -0.0707010400000000 ] - [ 0.0208953100000000, 0.1932849100000000, -0.0713249400000000 ] - [ 0.0211186600000000, 0.1935892900000000, -0.0707686200000000 ] - [ -0.0212793600000000, 0.1936200000000000, 0.0707272800000000 ] - [ -0.0211436700000000, 0.1936593700000000, 0.0708740200000000 ] - [ 0.0570736400000000, -0.0157522100000000, -0.0076769000000000 ] - [ 0.0569300600000000, -0.0154289900000000, -0.0082098700000000 ] - [ -0.0568440900000000, -0.0155052600000000, 0.0082029000000000 ] - [ -0.0568206500000000, -0.0156512300000000, 0.0084834000000000 ] - [ -0.0438344100000000, -0.0124029700000000, -0.0081469900000000 ] - [ -0.0569450500000000, 0.0164148300000000, 0.0079427100000000 ] - [ 0.0461234700000000, 0.0008259900000000, -0.0196650100000000 ] - [ 0.0566089200000000, 0.0160687600000000, -0.0085698200000000 ] - [ -0.0094656200000000, 0.2017190600000000, 0.0794045400000000 ] - [ -0.0098678800000000, 0.2021882900000000, 0.0798278200000000 ] - [ 0.0087557900000000, 0.2010320100000000, -0.0790803600000000 ] - [ 0.0097988800000000, 0.2021803700000000, -0.0802574000000000 ] - [ 0.0095896200000000, -0.2020495500000000, -0.0796781700000000 ] - [ 0.0095011100000000, -0.2021186900000000, -0.0799351900000000 ] - [ -0.0096543900000000, -0.2020466900000000, 0.0798936100000000 ] - [ -0.0095293600000000, -0.2019750700000000, 0.0797815300000000 ]- atom: 35 displacement: [ -0.0000427683518374, 0.0000000000000000, 0.0099999085429858 ] forces: - [ -0.0065903900000000, 0.0072310800000000, -0.0167387600000000 ] - [ -0.0066772100000000, 0.0071798700000000, -0.0163367400000000 ] - [ -0.0057473000000000, -0.0103502100000000, -0.0148189400000000 ] - [ -0.0068873900000000, -0.0068425200000000, -0.0167283800000000 ] - [ 0.0029178600000000, -0.0091618600000000, 0.0184672900000000 ] - [ 0.0065347100000000, -0.0068713700000000, 0.0170100300000000 ] - [ 0.0066267000000000, 0.0071964800000000, 0.0168162900000000 ] - [ 0.0065389800000000, 0.0072741600000000, 0.0168533600000000 ] - [ -0.0014958100000000, -0.0002851600000000, -0.0053335100000000 ] - [ -0.0015005200000000, -0.0002555100000000, -0.0052814100000000 ] - [ 0.0014920700000000, -0.0002653300000000, 0.0054293400000000 ] - [ 0.0015227100000000, -0.0003050300000000, 0.0055659300000000 ] - [ 0.0015535200000000, 0.0006516800000000, 0.0055006700000000 ] - [ 0.0015756700000000, 0.0001304800000000, 0.0054107900000000 ] - [ -0.0013846900000000, 0.0001301100000000, -0.0054182300000000 ] - [ -0.0012693300000000, 0.0004927300000000, -0.0054125200000000 ] - [ 0.0115658700000000, -0.0066969500000000, 0.0015391500000000 ] - [ 0.0115449400000000, -0.0066844000000000, 0.0018075400000000 ] - [ -0.0115784300000000, -0.0061551600000000, -0.0008354300000000 ] - [ -0.0118164900000000, -0.0069286900000000, -0.0014394500000000 ] - [ -0.0120723100000000, 0.0073065600000000, -0.0002020900000000 ] - [ -0.0115907900000000, 0.0065706300000000, -0.0016388100000000 ] - [ 0.0116256000000000, 0.0067195300000000, 0.0017303900000000 ] - [ 0.0116140000000000, 0.0067079800000000, 0.0014810000000000 ] - [ -0.0000035700000000, -0.0041129900000000, 0.0091512100000000 ] - [ -0.0000116700000000, -0.0040225100000000, 0.0088570900000000 ] - [ 0.0000317800000000, -0.0041242600000000, -0.0090835300000000 ] - [ 0.0000015400000000, -0.0040210600000000, -0.0088478300000000 ] - [ -0.0000140200000000, 0.0040043500000000, -0.0088185200000000 ] - [ 0.0001706800000000, 0.0040336900000000, -0.0088099500000000 ] - [ 0.0000130800000000, 0.0040135600000000, 0.0090010300000000 ] - [ 0.0005885500000000, 0.0041588200000000, 0.0093124200000000 ] - [ -0.0158860800000000, -0.0335545100000000, -0.0313739300000000 ] - [ -0.0159127400000000, -0.0336801300000000, -0.0313634300000000 ] - [ -0.0204490700000000, -0.0567853300000000, -0.0792222100000000 ] - [ -0.0204866000000000, -0.0491307400000000, -0.0053521300000000 ] - [ -0.0206367300000000, 0.0492279700000000, -0.0057300600000000 ] - [ -0.0206638000000000, 0.0491243000000000, -0.0057934900000000 ] - [ 0.0206336400000000, 0.0491504200000000, 0.0057929000000000 ] - [ 0.0206852400000000, 0.0491450600000000, 0.0058416100000000 ] - [ 0.0433850000000000, -0.0190416900000000, -0.0214576800000000 ] - [ 0.0440456000000000, -0.0187810000000000, -0.0209728300000000 ] - [ -0.0397823100000000, -0.0163574000000000, 0.0172453800000000 ] - [ -0.0439124400000000, -0.0193367300000000, 0.0204984600000000 ] - [ -0.0437304900000000, 0.0189357200000000, 0.0208392500000000 ] - [ -0.0435602200000000, 0.0188787700000000, 0.0209543300000000 ] - [ 0.0435795800000000, 0.0189237500000000, -0.0209436900000000 ] - [ 0.0435301100000000, 0.0188761700000000, -0.0209165700000000 ] - [ 0.0429212600000000, -0.0189996400000000, -0.0278419800000000 ] - [ 0.0438245000000000, -0.0186030100000000, -0.0273820900000000 ] - [ -0.0434330300000000, -0.0186229800000000, 0.0266073800000000 ] - [ -0.0435133600000000, -0.0188583400000000, 0.0265559600000000 ] - [ -0.0435514200000000, 0.0188942000000000, 0.0269093300000000 ] - [ -0.0435270800000000, 0.0188137300000000, 0.0269089100000000 ] - [ 0.0435392200000000, 0.0188075600000000, -0.0268977300000000 ] - [ 0.0436377500000000, 0.0188577900000000, -0.0268220700000000 ] - [ 0.0159153800000000, -0.0337262200000000, 0.0313527900000000 ] - [ 0.0158384900000000, -0.0335166400000000, 0.0314892300000000 ] - [ -0.0141529900000000, 0.0316764200000000, -0.0313575500000000 ] - [ -0.0163578600000000, 0.0342168600000000, -0.0319755300000000 ] - [ 0.0178523100000000, 0.0343519700000000, 0.0310599100000000 ] - [ 0.0156485500000000, 0.0305589500000000, 0.0291000000000000 ] - [ 0.0192080900000000, -0.0497287600000000, 0.0035828700000000 ] - [ 0.0206694300000000, -0.0467523000000000, 0.0035879500000000 ] - [ 0.0790316900000000, 0.0157948700000000, -0.0143503100000000 ] - [ 0.0789633400000000, 0.0157526000000000, -0.0144403500000000 ] - [ 0.1315973400000000, 0.0057637400000000, 0.0083018700000000 ] - [ 0.1315607900000000, 0.0058080100000000, 0.0082810800000000 ] - [ 0.1315369600000000, -0.0066665900000000, 0.0097356000000000 ] - [ 0.1320449300000000, -0.0056021400000000, 0.0089825400000000 ] - [ -0.1312850200000000, -0.0054073400000000, -0.0081592200000000 ] - [ -0.1316279300000000, -0.0059224700000000, -0.0080071200000000 ] - [ -0.1315940200000000, 0.0057944200000000, -0.0083146000000000 ] - [ -0.1316096400000000, 0.0057692300000000, -0.0083427400000000 ] - [ -0.0790857200000000, 0.0158823000000000, 0.0143688000000000 ] - [ -0.0791185600000000, 0.0158000300000000, 0.0142865900000000 ] - [ -0.0796383300000000, -0.0160485300000000, 0.0150987200000000 ] - [ -0.0799740700000000, -0.0147535400000000, 0.0145862600000000 ] - [ 0.0780921300000000, -0.0156226800000000, -0.0143171000000000 ] - [ 0.0787080300000000, -0.0160356500000000, -0.0141388500000000 ] - [ -0.0244957700000000, -0.0059835400000000, -0.0641396200000000 ] - [ -0.0243367400000000, -0.0059778300000000, -0.0642149700000000 ] - [ 0.0246521800000000, -0.0059127800000000, 0.0639494400000000 ] - [ 0.0245031100000000, -0.0060627000000000, 0.0641127600000000 ] - [ 0.0332891300000000, -0.0069258400000000, 0.0918725500000000 ] - [ 0.0238237900000000, 0.0059601500000000, 0.0642448400000000 ] - [ -0.0244894200000000, 0.0064608900000000, -0.0638927800000000 ] - [ -0.0245453800000000, 0.0045108800000000, -0.0643109100000000 ] - [ -0.0203335800000000, -0.1938133500000000, 0.0712042800000000 ] - [ -0.0215367900000000, -0.1939412100000000, 0.0712511900000000 ] - [ 0.0050996700000000, -0.1970585900000000, -0.0601713200000000 ] - [ 0.0211548800000000, -0.1926290200000000, -0.0703943700000000 ] - [ 0.0212652000000000, 0.1937212600000000, -0.0704735200000000 ] - [ 0.0211349200000000, 0.1937038700000000, -0.0707835200000000 ] - [ -0.0210964100000000, 0.1935749900000000, 0.0707990600000000 ] - [ -0.0211045000000000, 0.1936269100000000, 0.0707652200000000 ] - [ 0.0569337800000000, -0.0157192600000000, -0.0082198600000000 ] - [ 0.0569118500000000, -0.0154871200000000, -0.0082209200000000 ] - [ -0.0568881100000000, -0.0155251700000000, 0.0082295200000000 ] - [ -0.0568713500000000, -0.0155940200000000, 0.0082068200000000 ] - [ -0.0653584100000000, 0.0323048400000000, 0.0221201400000000 ] - [ -0.0565068500000000, 0.0155249300000000, 0.0088316000000000 ] - [ 0.0707246200000000, 0.0282267100000000, 0.0113436400000000 ] - [ 0.0571852200000000, 0.0149260700000000, -0.0074456000000000 ] - [ -0.0101728300000000, 0.2022213500000000, 0.0800821600000000 ] - [ -0.0091504500000000, 0.2020930800000000, 0.0798079200000000 ] - [ 0.0101553000000000, 0.2002983900000000, -0.0790050000000000 ] - [ 0.0099517500000000, 0.2016174900000000, -0.0800489600000000 ] - [ 0.0095197000000000, -0.2020442700000000, -0.0797225900000000 ] - [ 0.0095303500000000, -0.2020314000000000, -0.0800048600000000 ] - [ -0.0095953100000000, -0.2020274600000000, 0.0797864800000000 ] - [ -0.0095917100000000, -0.2020274800000000, 0.0797573000000000 ]- atom: 35 displacement: [ 0.0000427683518374, 0.0000000000000000, -0.0099999085429858 ] forces: - [ -0.0065951900000000, 0.0072169400000000, -0.0167666500000000 ] - [ -0.0065135600000000, 0.0072657500000000, -0.0171747900000000 ] - [ -0.0074339500000000, -0.0041413800000000, -0.0186625800000000 ] - [ -0.0062981800000000, -0.0076046700000000, -0.0167791200000000 ] - [ 0.0103152400000000, -0.0052587500000000, 0.0150209800000000 ] - [ 0.0066520900000000, -0.0075692300000000, 0.0164983300000000 ] - [ 0.0065590500000000, 0.0072507700000000, 0.0166936500000000 ] - [ 0.0066470700000000, 0.0071711300000000, 0.0166610900000000 ] - [ -0.0014952800000000, -0.0002707500000000, -0.0054376300000000 ] - [ -0.0014901000000000, -0.0002997200000000, -0.0054899700000000 ] - [ 0.0014992900000000, -0.0002901100000000, 0.0053403400000000 ] - [ 0.0014690100000000, -0.0002493500000000, 0.0052054500000000 ] - [ 0.0014407400000000, -0.0001013400000000, 0.0052730900000000 ] - [ 0.0014173500000000, 0.0004250000000000, 0.0053606700000000 ] - [ -0.0016068400000000, 0.0004241500000000, -0.0053529200000000 ] - [ -0.0017214300000000, 0.0000663900000000, -0.0053585200000000 ] - [ 0.0117643600000000, -0.0066549900000000, 0.0015623000000000 ] - [ 0.0117827400000000, -0.0066676500000000, 0.0012904600000000 ] - [ -0.0117516400000000, -0.0071997800000000, -0.0022703600000000 ] - [ -0.0115136700000000, -0.0064241800000000, -0.0016630300000000 ] - [ -0.0112653700000000, 0.0060501700000000, -0.0028815900000000 ] - [ -0.0117402900000000, 0.0067824100000000, -0.0014629900000000 ] - [ 0.0117032800000000, 0.0066284700000000, 0.0013685900000000 ] - [ 0.0117157300000000, 0.0066437800000000, 0.0016186300000000 ] - [ -0.0000475400000000, -0.0039891200000000, 0.0086429500000000 ] - [ -0.0000396700000000, -0.0040827800000000, 0.0089423700000000 ] - [ 0.0000198100000000, -0.0039839800000000, -0.0087179300000000 ] - [ 0.0000501900000000, -0.0040860400000000, -0.0089512500000000 ] - [ 0.0000662000000000, 0.0041006100000000, -0.0089806200000000 ] - [ -0.0001191600000000, 0.0040724800000000, -0.0089884500000000 ] - [ -0.0000648400000000, 0.0040928100000000, 0.0087969600000000 ] - [ -0.0006344000000000, 0.0039495900000000, 0.0084841700000000 ] - [ -0.0158655500000000, -0.0336383800000000, -0.0313992700000000 ] - [ -0.0158383900000000, -0.0335126900000000, -0.0314098100000000 ] - [ -0.0207403900000000, -0.0419931900000000, 0.0681739600000000 ] - [ -0.0208823500000000, -0.0491619200000000, -0.0061965700000000 ] - [ -0.0207249200000000, 0.0490665700000000, -0.0058232800000000 ] - [ -0.0206970600000000, 0.0491694700000000, -0.0057594200000000 ] - [ 0.0207272100000000, 0.0491429900000000, 0.0057602400000000 ] - [ 0.0206754500000000, 0.0491488800000000, 0.0057110800000000 ] - [ 0.0437961700000000, -0.0188146000000000, -0.0204485900000000 ] - [ 0.0431345000000000, -0.0190763500000000, -0.0209291300000000 ] - [ -0.0473786400000000, -0.0215211600000000, 0.0246905700000000 ] - [ -0.0432670200000000, -0.0185186200000000, 0.0214071800000000 ] - [ -0.0434473500000000, 0.0189210200000000, 0.0210637400000000 ] - [ -0.0436187700000000, 0.0189792100000000, 0.0209504000000000 ] - [ 0.0435988300000000, 0.0189332100000000, -0.0209610500000000 ] - [ 0.0436488800000000, 0.0189821600000000, -0.0209885800000000 ] - [ 0.0441644000000000, -0.0186560100000000, -0.0259332600000000 ] - [ 0.0432588800000000, -0.0190481800000000, -0.0264023000000000 ] - [ -0.0436508700000000, -0.0190370200000000, 0.0271855600000000 ] - [ -0.0435713200000000, -0.0187950800000000, 0.0272300700000000 ] - [ -0.0435313500000000, 0.0187607400000000, 0.0268762600000000 ] - [ -0.0435562000000000, 0.0188410900000000, 0.0268765100000000 ] - [ 0.0435444000000000, 0.0188478400000000, -0.0268886500000000 ] - [ 0.0434485300000000, 0.0187978000000000, -0.0269647000000000 ] - [ 0.0158350600000000, -0.0334665300000000, 0.0314201600000000 ] - [ 0.0159101700000000, -0.0336767600000000, 0.0312847500000000 ] - [ -0.0175977300000000, 0.0355159700000000, -0.0314050200000000 ] - [ -0.0153888300000000, 0.0329787400000000, -0.0307994500000000 ] - [ 0.0138951700000000, 0.0328454000000000, 0.0317147900000000 ] - [ 0.0161007300000000, 0.0366408800000000, 0.0336787200000000 ] - [ 0.0221619500000000, -0.0485579700000000, 0.0079736500000000 ] - [ 0.0206919000000000, -0.0515286000000000, 0.0079661800000000 ] - [ 0.0790758900000000, 0.0157383800000000, -0.0143765800000000 ] - [ 0.0791440000000000, 0.0157794100000000, -0.0142872200000000 ] - [ 0.1315619200000000, 0.0058346200000000, 0.0083303000000000 ] - [ 0.1315992800000000, 0.0057913200000000, 0.0083503000000000 ] - [ 0.1316289700000000, -0.0049273000000000, 0.0068888000000000 ] - [ 0.1311147200000000, -0.0060020000000000, 0.0076440200000000 ] - [ -0.1318787300000000, -0.0061970200000000, -0.0084727600000000 ] - [ -0.1315331000000000, -0.0056777100000000, -0.0086260900000000 ] - [ -0.1315663800000000, 0.0058052300000000, -0.0083172700000000 ] - [ -0.1315514400000000, 0.0058296900000000, -0.0082879400000000 ] - [ -0.0790203800000000, 0.0156504400000000, 0.0143603000000000 ] - [ -0.0789889800000000, 0.0157348400000000, 0.0144427800000000 ] - [ -0.0784634500000000, -0.0154771400000000, 0.0136275400000000 ] - [ -0.0781341700000000, -0.0167840900000000, 0.0141400600000000 ] - [ 0.0800210900000000, -0.0159095300000000, -0.0144135900000000 ] - [ 0.0794000400000000, -0.0154967400000000, -0.0145900800000000 ] - [ -0.0244534800000000, -0.0060642300000000, -0.0641368000000000 ] - [ -0.0246147000000000, -0.0060698900000000, -0.0640596900000000 ] - [ 0.0242980900000000, -0.0061330000000000, 0.0643258100000000 ] - [ 0.0244481500000000, -0.0059844400000000, 0.0641624000000000 ] - [ 0.0152356300000000, 0.0195311600000000, 0.0355711300000000 ] - [ 0.0251256700000000, 0.0060846100000000, 0.0640310100000000 ] - [ -0.0244644300000000, 0.0055879000000000, -0.0643839800000000 ] - [ -0.0244062200000000, 0.0075400300000000, -0.0639688100000000 ] - [ -0.0219092800000000, -0.1933329300000000, 0.0703805800000000 ] - [ -0.0207128600000000, -0.1932075200000000, 0.0703400700000000 ] - [ 0.0368403400000000, -0.1901673200000000, -0.0813208100000000 ] - [ 0.0210879000000000, -0.1945081000000000, -0.0711876300000000 ] - [ 0.0209778700000000, 0.1934253700000000, -0.0711096000000000 ] - [ 0.0211071700000000, 0.1934422600000000, -0.0708010700000000 ] - [ -0.0211458500000000, 0.1935716200000000, 0.0707859700000000 ] - [ -0.0211370400000000, 0.1935194000000000, 0.0708198500000000 ] - [ 0.0567982500000000, -0.0153878900000000, -0.0081665400000000 ] - [ 0.0568199500000000, -0.0156212500000000, -0.0081654700000000 ] - [ -0.0568425800000000, -0.0155828800000000, 0.0081571400000000 ] - [ -0.0568598100000000, -0.0155146800000000, 0.0081798200000000 ] - [ -0.0482453900000000, -0.0014701100000000, -0.0057755000000000 ] - [ -0.0572216300000000, 0.0155722700000000, 0.0075523700000000 ] - [ 0.0433652300000000, 0.0031870700000000, -0.0275251600000000 ] - [ 0.0565425300000000, 0.0161837100000000, -0.0089438900000000 ] - [ -0.0090044800000000, 0.2018358100000000, 0.0795276900000000 ] - [ -0.0100284700000000, 0.2019646700000000, 0.0797988500000000 ] - [ 0.0090162500000000, 0.2037431000000000, -0.0805937400000000 ] - [ 0.0092316600000000, 0.2024251700000000, -0.0795648400000000 ] - [ 0.0096562500000000, -0.2020134200000000, -0.0798851600000000 ] - [ 0.0096453000000000, -0.2020234600000000, -0.0796045200000000 ] - [ -0.0095811100000000, -0.2020303900000000, 0.0798212000000000 ] - [ -0.0095847400000000, -0.2020305900000000, 0.0798504100000000 ]- atom: 41 displacement: [ 0.0099999992956673, 0.0000000000000000, 0.0000037532191477 ] forces: - [ -0.0065116700000000, 0.0072358400000000, -0.0168118000000000 ] - [ -0.0065495800000000, 0.0072264000000000, -0.0168214400000000 ] - [ -0.0057849500000000, -0.0071260000000000, -0.0164524000000000 ] - [ -0.0065904600000000, -0.0072207300000000, -0.0168126900000000 ] - [ 0.0066534500000000, -0.0072250000000000, 0.0167819600000000 ] - [ 0.0066763500000000, -0.0072168500000000, 0.0168445400000000 ] - [ 0.0068763900000000, 0.0071220100000000, 0.0158836100000000 ] - [ 0.0065621900000000, 0.0072428400000000, 0.0167704500000000 ] - [ -0.0014497200000000, -0.0003652900000000, -0.0051980600000000 ] - [ -0.0015149500000000, -0.0002868900000000, -0.0053472900000000 ] - [ 0.0013904400000000, -0.0002513000000000, 0.0053036400000000 ] - [ 0.0014669300000000, -0.0002654000000000, 0.0053026700000000 ] - [ 0.0016824300000000, 0.0011589900000000, 0.0056492400000000 ] - [ 0.0018910600000000, -0.0004426700000000, 0.0056536000000000 ] - [ -0.0020161300000000, 0.0001363200000000, -0.0065928500000000 ] - [ -0.0017716000000000, 0.0002922300000000, -0.0053504900000000 ] - [ 0.0115865700000000, -0.0056791700000000, 0.0010135600000000 ] - [ 0.0115384000000000, -0.0069926400000000, 0.0015467100000000 ] - [ -0.0113955100000000, -0.0066558700000000, -0.0015783500000000 ] - [ -0.0115539600000000, -0.0066791600000000, -0.0015819800000000 ] - [ -0.0115270700000000, 0.0067135800000000, -0.0014762700000000 ] - [ -0.0114539600000000, 0.0066340100000000, -0.0015536300000000 ] - [ 0.0119071800000000, 0.0065546700000000, 0.0014985500000000 ] - [ 0.0116968900000000, 0.0066781500000000, 0.0015907600000000 ] - [ 0.0005623400000000, -0.0041345900000000, 0.0093884400000000 ] - [ -0.0000577600000000, -0.0040380800000000, 0.0089090800000000 ] - [ -0.0001317400000000, -0.0041054000000000, -0.0089913700000000 ] - [ -0.0003729000000000, -0.0036963200000000, -0.0087669200000000 ] - [ -0.0014520400000000, 0.0046736000000000, -0.0076796400000000 ] - [ 0.0003699000000000, 0.0039869300000000, -0.0087814400000000 ] - [ 0.0000060200000000, 0.0040048400000000, 0.0087101600000000 ] - [ 0.0000595700000000, 0.0040398700000000, 0.0086601200000000 ] - [ -0.0157367100000000, -0.0336598000000000, -0.0314721600000000 ] - [ -0.0160029700000000, -0.0334436300000000, -0.0313459000000000 ] - [ -0.0201476700000000, -0.0488884500000000, -0.0059746100000000 ] - [ -0.0203159900000000, -0.0491869400000000, -0.0053198500000000 ] - [ -0.0205918500000000, 0.0491212900000000, -0.0058337900000000 ] - [ -0.0205868500000000, 0.0493156600000000, -0.0057836900000000 ] - [ 0.0208617600000000, 0.0490804600000000, 0.0056332000000000 ] - [ 0.0206121400000000, 0.0490958900000000, 0.0058033000000000 ] - [ -0.0222220600000000, -0.0241035000000000, -0.0279771400000000 ] - [ 0.0439711500000000, -0.0189272500000000, -0.0212792700000000 ] - [ -0.0431243400000000, -0.0187647000000000, 0.0206711400000000 ] - [ -0.0431230500000000, -0.0188969700000000, 0.0214709700000000 ] - [ -0.0435114200000000, 0.0187350000000000, 0.0208714400000000 ] - [ -0.0436063700000000, 0.0187829400000000, 0.0209531200000000 ] - [ 0.0433302400000000, 0.0190609600000000, -0.0210351600000000 ] - [ 0.0435510100000000, 0.0189101700000000, -0.0209318800000000 ] - [ 0.0466879800000000, -0.0205868900000000, -0.0282384800000000 ] - [ 0.0436579700000000, -0.0184630000000000, -0.0261716700000000 ] - [ -0.0467645700000000, -0.0155441900000000, 0.0259687600000000 ] - [ -0.0437400800000000, -0.0199553500000000, 0.0260840900000000 ] - [ -0.0439413400000000, 0.0187656800000000, 0.0269083700000000 ] - [ -0.0434661600000000, 0.0188743500000000, 0.0268980600000000 ] - [ 0.0434696500000000, 0.0187749600000000, -0.0268858400000000 ] - [ 0.0435073400000000, 0.0188881700000000, -0.0268260100000000 ] - [ 0.0160808600000000, -0.0335591300000000, 0.0313140700000000 ] - [ 0.0159998800000000, -0.0335923700000000, 0.0313882300000000 ] - [ -0.0176258100000000, 0.0303710100000000, -0.0297279600000000 ] - [ -0.0171196600000000, 0.0344950000000000, -0.0328050300000000 ] - [ 0.0164028600000000, 0.0334208900000000, 0.0313058200000000 ] - [ 0.0162165700000000, 0.0336804500000000, 0.0316414100000000 ] - [ 0.0260666200000000, -0.0479938100000000, 0.0095717500000000 ] - [ 0.0201592100000000, -0.0494094900000000, 0.0054497300000000 ] - [ 0.0792927700000000, 0.0159082200000000, -0.0142940800000000 ] - [ 0.0789973800000000, 0.0157847600000000, -0.0143787600000000 ] - [ 0.1316247500000000, 0.0058354100000000, 0.0080792800000000 ] - [ 0.1316026200000000, 0.0057764700000000, 0.0083447200000000 ] - [ 0.1315329700000000, -0.0071089900000000, 0.0087337700000000 ] - [ 0.1314295200000000, -0.0050485700000000, 0.0088047000000000 ] - [ -0.1007472300000000, 0.0106258300000000, -0.0076326900000000 ] - [ -0.1312523500000000, -0.0060858800000000, -0.0083950200000000 ] - [ -0.1314185600000000, 0.0057185600000000, -0.0082585800000000 ] - [ -0.1314237900000000, 0.0058291000000000, -0.0082262100000000 ] - [ -0.0791543700000000, 0.0159587800000000, 0.0142986800000000 ] - [ -0.0790829800000000, 0.0157218800000000, 0.0143273900000000 ] - [ -0.0799938300000000, -0.0156810200000000, 0.0149320400000000 ] - [ -0.0795144500000000, -0.0159193000000000, 0.0142273300000000 ] - [ 0.0800761300000000, -0.0153575000000000, -0.0145844700000000 ] - [ 0.0826016300000000, -0.0212219900000000, -0.0097816900000000 ] - [ -0.0244885000000000, -0.0059103800000000, -0.0642630200000000 ] - [ -0.0244771700000000, -0.0059783600000000, -0.0641400200000000 ] - [ 0.0240988500000000, -0.0058778600000000, 0.0642467600000000 ] - [ 0.0243959400000000, -0.0060350900000000, 0.0641593200000000 ] - [ 0.0241346200000000, 0.0059510300000000, 0.0642881800000000 ] - [ 0.0241823800000000, 0.0060797900000000, 0.0640845200000000 ] - [ -0.0023527400000000, -0.0054081700000000, -0.0759181600000000 ] - [ -0.0238312100000000, 0.0067678600000000, -0.0633661300000000 ] - [ -0.0162734000000000, -0.1906363100000000, 0.0823443400000000 ] - [ -0.0206033900000000, -0.1932678200000000, 0.0704935600000000 ] - [ 0.0208341000000000, -0.1939572300000000, -0.0704629700000000 ] - [ 0.0208716000000000, -0.1936103800000000, -0.0709509000000000 ] - [ 0.0210443400000000, 0.1935871300000000, -0.0706618200000000 ] - [ 0.0210243200000000, 0.1935197900000000, -0.0708068000000000 ] - [ -0.0211444300000000, 0.1933686700000000, 0.0710950100000000 ] - [ -0.0210745000000000, 0.1934841900000000, 0.0707438000000000 ] - [ 0.0568082400000000, -0.0155407300000000, -0.0081990900000000 ] - [ 0.0569452400000000, -0.0155625800000000, -0.0082039300000000 ] - [ -0.0570909400000000, -0.0156117500000000, 0.0082670400000000 ] - [ -0.0569406700000000, -0.0154626600000000, 0.0082065100000000 ] - [ -0.0572771400000000, 0.0152210400000000, 0.0077072500000000 ] - [ -0.0570002200000000, 0.0156800700000000, 0.0078458700000000 ] - [ 0.0571669400000000, 0.0170495200000000, -0.0085778700000000 ] - [ 0.0561127000000000, 0.0151306600000000, -0.0081475500000000 ] - [ -0.0095294500000000, 0.2017556500000000, 0.0801517400000000 ] - [ -0.0085770600000000, 0.2027756400000000, 0.0797960300000000 ] - [ 0.0090056400000000, 0.2021731900000000, -0.0799705400000000 ] - [ 0.0095317200000000, 0.2019368200000000, -0.0799050400000000 ] - [ 0.0095315200000000, -0.2020309300000000, -0.0796964900000000 ] - [ 0.0095232100000000, -0.2020523600000000, -0.0798119800000000 ] - [ -0.0093619400000000, -0.2019385800000000, 0.0797740100000000 ] - [ -0.0094992500000000, -0.2020520000000000, 0.0796465000000000 ]- atom: 41 displacement: [ -0.0099999992956673, 0.0000000000000000, -0.0000037532191477 ] forces: - [ -0.0066749400000000, 0.0072124500000000, -0.0166947500000000 ] - [ -0.0066379000000000, 0.0072215000000000, -0.0166859800000000 ] - [ -0.0073996300000000, -0.0073192400000000, -0.0170462000000000 ] - [ -0.0065967100000000, -0.0072314100000000, -0.0166926700000000 ] - [ 0.0065327800000000, -0.0072223600000000, 0.0167234600000000 ] - [ 0.0065129300000000, -0.0072320000000000, 0.0166568800000000 ] - [ 0.0063067900000000, 0.0073288500000000, 0.0176165500000000 ] - [ 0.0066250700000000, 0.0072075400000000, 0.0167368600000000 ] - [ -0.0015430000000000, -0.0001853500000000, -0.0055764200000000 ] - [ -0.0014766100000000, -0.0002631100000000, -0.0054245600000000 ] - [ 0.0016012300000000, -0.0002986600000000, 0.0054689500000000 ] - [ 0.0015249100000000, -0.0002846400000000, 0.0054699000000000 ] - [ 0.0013102100000000, -0.0006129000000000, 0.0051235400000000 ] - [ 0.0011033700000000, 0.0009893000000000, 0.0051220700000000 ] - [ -0.0009800900000000, 0.0004145300000000, -0.0041827900000000 ] - [ -0.0012213400000000, 0.0002585100000000, -0.0054228700000000 ] - [ 0.0117409300000000, -0.0076790500000000, 0.0020928800000000 ] - [ 0.0117881400000000, -0.0063661300000000, 0.0015560400000000 ] - [ -0.0119330900000000, -0.0067000800000000, -0.0015255700000000 ] - [ -0.0117741400000000, -0.0066777900000000, -0.0015203200000000 ] - [ -0.0118008000000000, 0.0066427700000000, -0.0016246300000000 ] - [ -0.0118753700000000, 0.0067239600000000, -0.0015457200000000 ] - [ 0.0114207400000000, 0.0067990900000000, 0.0016032600000000 ] - [ 0.0116317600000000, 0.0066796000000000, 0.0015109800000000 ] - [ -0.0006122500000000, -0.0039627300000000, 0.0084096000000000 ] - [ 0.0000043500000000, -0.0040616300000000, 0.0088909000000000 ] - [ 0.0001850900000000, -0.0039960500000000, -0.0088080800000000 ] - [ 0.0004250100000000, -0.0044070000000000, -0.0090343500000000 ] - [ 0.0014971900000000, 0.0034174100000000, -0.0101258600000000 ] - [ -0.0003157600000000, 0.0041142500000000, -0.0090161600000000 ] - [ -0.0000593700000000, 0.0040963700000000, 0.0090873600000000 ] - [ -0.0001131500000000, 0.0040612900000000, 0.0091380800000000 ] - [ -0.0160154700000000, -0.0335337800000000, -0.0313028000000000 ] - [ -0.0157481700000000, -0.0337502600000000, -0.0314301300000000 ] - [ -0.0212146700000000, -0.0494036700000000, -0.0055692100000000 ] - [ -0.0210474600000000, -0.0491079700000000, -0.0062357700000000 ] - [ -0.0207687500000000, 0.0491726500000000, -0.0057174100000000 ] - [ -0.0207720200000000, 0.0489788400000000, -0.0057667800000000 ] - [ 0.0204996200000000, 0.0492116100000000, 0.0059165600000000 ] - [ 0.0207471000000000, 0.0491983200000000, 0.0057467400000000 ] - [ 0.1090913900000000, -0.0151143900000000, -0.0142275400000000 ] - [ 0.0432078400000000, -0.0189264400000000, -0.0206320800000000 ] - [ -0.0440551200000000, -0.0190908600000000, 0.0212368500000000 ] - [ -0.0440532000000000, -0.0189603300000000, 0.0204348800000000 ] - [ -0.0436670400000000, 0.0191206500000000, 0.0210335400000000 ] - [ -0.0435744900000000, 0.0190738900000000, 0.0209520100000000 ] - [ 0.0438484300000000, 0.0187950000000000, -0.0208695100000000 ] - [ 0.0436295200000000, 0.0189476100000000, -0.0209742300000000 ] - [ 0.0404244500000000, -0.0170638500000000, -0.0255483000000000 ] - [ 0.0434261400000000, -0.0191925000000000, -0.0276132700000000 ] - [ -0.0403250900000000, -0.0221030700000000, 0.0278155000000000 ] - [ -0.0433525200000000, -0.0176925700000000, 0.0277001200000000 ] - [ -0.0431419500000000, 0.0188905900000000, 0.0268752400000000 ] - [ -0.0436174100000000, 0.0187806500000000, 0.0268862000000000 ] - [ 0.0436130900000000, 0.0188803400000000, -0.0268995500000000 ] - [ 0.0435757600000000, 0.0187674600000000, -0.0269588400000000 ] - [ 0.0156713100000000, -0.0336337500000000, 0.0314596500000000 ] - [ 0.0157515100000000, -0.0336025900000000, 0.0313865100000000 ] - [ -0.0141338500000000, 0.0368350400000000, -0.0330530900000000 ] - [ -0.0146218600000000, 0.0327067100000000, -0.0299769600000000 ] - [ 0.0153474900000000, 0.0337723400000000, 0.0314706600000000 ] - [ 0.0155352300000000, 0.0335153900000000, 0.0311343800000000 ] - [ 0.0152137500000000, -0.0503085100000000, 0.0019328300000000 ] - [ 0.0211969700000000, -0.0488849400000000, 0.0061016100000000 ] - [ 0.0788146200000000, 0.0156240900000000, -0.0144340400000000 ] - [ 0.0791099000000000, 0.0157464600000000, -0.0143493700000000 ] - [ 0.1315346000000000, 0.0057645500000000, 0.0085528200000000 ] - [ 0.1315584200000000, 0.0058229900000000, 0.0082892400000000 ] - [ 0.1316276300000000, -0.0044923200000000, 0.0078943100000000 ] - [ 0.1317263700000000, -0.0065484300000000, 0.0078290700000000 ] - [ -0.1614166600000000, -0.0214549200000000, -0.0089891200000000 ] - [ -0.1319073500000000, -0.0055156900000000, -0.0082365300000000 ] - [ -0.1317417400000000, 0.0058818400000000, -0.0083742400000000 ] - [ -0.1317368100000000, 0.0057705000000000, -0.0084066200000000 ] - [ -0.0789534000000000, 0.0155741900000000, 0.0144311600000000 ] - [ -0.0790244300000000, 0.0158105900000000, 0.0144031500000000 ] - [ -0.0781190700000000, -0.0158513400000000, 0.0137958500000000 ] - [ -0.0785925300000000, -0.0156139800000000, 0.0145022800000000 ] - [ 0.0780357600000000, -0.0161919400000000, -0.0141418100000000 ] - [ 0.0754552700000000, -0.0101917000000000, -0.0190002100000000 ] - [ -0.0244622400000000, -0.0061372500000000, -0.0640137700000000 ] - [ -0.0244733400000000, -0.0060691200000000, -0.0641344200000000 ] - [ 0.0248462700000000, -0.0061681600000000, 0.0640315900000000 ] - [ 0.0245542900000000, -0.0060121700000000, 0.0641151200000000 ] - [ 0.0248130800000000, 0.0060938700000000, 0.0639857200000000 ] - [ 0.0247659400000000, 0.0059674200000000, 0.0641904400000000 ] - [ -0.0472298600000000, 0.0179265100000000, -0.0519115900000000 ] - [ -0.0251172500000000, 0.0052804600000000, -0.0649053400000000 ] - [ -0.0258826300000000, -0.1965108500000000, 0.0592077800000000 ] - [ -0.0216364500000000, -0.1938776100000000, 0.0710914900000000 ] - [ 0.0214155200000000, -0.1931849200000000, -0.0711234900000000 ] - [ 0.0213706700000000, -0.1935342000000000, -0.0706327600000000 ] - [ 0.0211982400000000, 0.1935580300000000, -0.0709235600000000 ] - [ 0.0212173500000000, 0.1936247300000000, -0.0707773800000000 ] - [ -0.0211011300000000, 0.1937764000000000, 0.0704883000000000 ] - [ -0.0211670100000000, 0.1936584900000000, 0.0708406900000000 ] - [ 0.0569234900000000, -0.0155668000000000, -0.0081894800000000 ] - [ 0.0567864600000000, -0.0155456600000000, -0.0081849500000000 ] - [ -0.0566424000000000, -0.0154953500000000, 0.0081215800000000 ] - [ -0.0567912800000000, -0.0156442100000000, 0.0081825300000000 ] - [ -0.0564542100000000, 0.0158886200000000, 0.0086824300000000 ] - [ -0.0567326000000000, 0.0154290700000000, 0.0085430200000000 ] - [ 0.0565661000000000, 0.0140637400000000, -0.0078152000000000 ] - [ 0.0576199800000000, 0.0159851900000000, -0.0082387600000000 ] - [ -0.0096378400000000, 0.2022914800000000, 0.0794605900000000 ] - [ -0.0106053800000000, 0.2012738000000000, 0.0798050100000000 ] - [ 0.0101683600000000, 0.2018817500000000, -0.0796360900000000 ] - [ 0.0096445400000000, 0.2021237300000000, -0.0797032200000000 ] - [ 0.0096448700000000, -0.2020271800000000, -0.0799122000000000 ] - [ 0.0096521100000000, -0.2020062600000000, -0.0797955000000000 ] - [ -0.0098133600000000, -0.2021186100000000, 0.0798330700000000 ] - [ -0.0096777400000000, -0.2020047600000000, 0.0799642400000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0065204100000000, 0.0071949400000000, -0.0167680500000000 ] - [ -0.0065476200000000, 0.0072870200000000, -0.0168014500000000 ] - [ -0.0073362400000000, -0.0072460200000000, -0.0170057100000000 ] - [ -0.0065784500000000, -0.0072467000000000, -0.0167506600000000 ] - [ 0.0065295300000000, -0.0070909600000000, 0.0166525000000000 ] - [ 0.0069997300000000, -0.0071239100000000, 0.0166808600000000 ] - [ 0.0066630600000000, 0.0075097500000000, 0.0176018700000000 ] - [ 0.0066725500000000, 0.0072620400000000, 0.0167823000000000 ] - [ -0.0018698800000000, -0.0007369300000000, -0.0064207700000000 ] - [ -0.0015317100000000, -0.0001932500000000, -0.0052344300000000 ] - [ 0.0014257800000000, -0.0002652000000000, 0.0052958200000000 ] - [ 0.0014201800000000, -0.0002722700000000, 0.0053399900000000 ] - [ 0.0015380100000000, 0.0006266000000000, 0.0053502100000000 ] - [ 0.0003671600000000, -0.0001796800000000, 0.0056244200000000 ] - [ -0.0017914500000000, 0.0000162900000000, -0.0061156900000000 ] - [ -0.0013950200000000, 0.0004284700000000, -0.0052953500000000 ] - [ 0.0128005200000000, -0.0076132800000000, 0.0012326900000000 ] - [ 0.0116605900000000, -0.0065027800000000, 0.0016497100000000 ] - [ -0.0115930300000000, -0.0066128700000000, -0.0017422400000000 ] - [ -0.0116120800000000, -0.0066873100000000, -0.0015892200000000 ] - [ -0.0116892600000000, 0.0067871100000000, -0.0014887700000000 ] - [ -0.0116607100000000, 0.0065849600000000, -0.0014550300000000 ] - [ 0.0119287800000000, 0.0061302500000000, 0.0016222800000000 ] - [ 0.0116088400000000, 0.0068413500000000, 0.0013756000000000 ] - [ 0.0002936100000000, -0.0041108200000000, 0.0093935000000000 ] - [ -0.0001983400000000, -0.0039735700000000, 0.0088825900000000 ] - [ 0.0000848900000000, -0.0040160500000000, -0.0090858000000000 ] - [ -0.0001764800000000, -0.0038735800000000, -0.0087250500000000 ] - [ 0.0005820400000000, 0.0049240100000000, -0.0063482600000000 ] - [ 0.0001325200000000, 0.0050209000000000, -0.0091264000000000 ] - [ -0.0001381500000000, 0.0039077900000000, 0.0089448900000000 ] - [ -0.0000789200000000, 0.0041097300000000, 0.0088547400000000 ] - [ -0.0158901600000000, -0.0334697300000000, -0.0314244300000000 ] - [ -0.0157850900000000, -0.0336502800000000, -0.0316768700000000 ] - [ -0.0205103100000000, -0.0488922800000000, -0.0058857200000000 ] - [ -0.0207929100000000, -0.0487398800000000, -0.0056288300000000 ] - [ -0.0205462600000000, 0.0492314100000000, -0.0057216400000000 ] - [ -0.0206051800000000, 0.0490588300000000, -0.0057702100000000 ] - [ 0.0207710100000000, 0.0488182400000000, 0.0057819100000000 ] - [ 0.0207848200000000, 0.0492855400000000, 0.0057249100000000 ] - [ 0.0388712000000000, -0.0892961800000000, -0.0164419800000000 ] - [ 0.0435894300000000, -0.0182494200000000, -0.0208669500000000 ] - [ -0.0436222300000000, -0.0186167200000000, 0.0207491400000000 ] - [ -0.0437521000000000, -0.0186174800000000, 0.0208512600000000 ] - [ -0.0437827400000000, 0.0191736900000000, 0.0209279300000000 ] - [ -0.0437359700000000, 0.0187872900000000, 0.0208949900000000 ] - [ 0.0434567700000000, 0.0187716500000000, -0.0208431500000000 ] - [ 0.0436089000000000, 0.0190249500000000, -0.0210480500000000 ] - [ 0.0447467300000000, -0.0214923100000000, -0.0287086400000000 ] - [ 0.0430759000000000, -0.0187466800000000, -0.0265098100000000 ] - [ -0.0427725100000000, -0.0163388600000000, 0.0267888200000000 ] - [ -0.0449133500000000, -0.0158735200000000, 0.0306695400000000 ] - [ -0.0436296600000000, 0.0190356000000000, 0.0269534300000000 ] - [ -0.0437038500000000, 0.0187265900000000, 0.0267501000000000 ] - [ 0.0434851500000000, 0.0186556500000000, -0.0269590300000000 ] - [ 0.0434185600000000, 0.0191423200000000, -0.0267885500000000 ] - [ 0.0158510100000000, -0.0339563100000000, 0.0312161900000000 ] - [ 0.0158983400000000, -0.0335205800000000, 0.0313955100000000 ] - [ -0.0167588900000000, 0.0359109400000000, -0.0313401400000000 ] - [ -0.0122062000000000, 0.0364310100000000, -0.0295609900000000 ] - [ 0.0158062400000000, 0.0332231200000000, 0.0311355300000000 ] - [ 0.0158351700000000, 0.0336824800000000, 0.0315669600000000 ] - [ 0.0213420700000000, -0.0513369500000000, 0.0032012200000000 ] - [ 0.0203805200000000, -0.0490641800000000, 0.0061841000000000 ] - [ 0.0792121700000000, 0.0159402600000000, -0.0143931200000000 ] - [ 0.0792314400000000, 0.0156708500000000, -0.0141803300000000 ] - [ 0.1317259100000000, 0.0057870400000000, 0.0080646000000000 ] - [ 0.1319203600000000, 0.0055654100000000, 0.0084804000000000 ] - [ 0.1319305600000000, -0.0059530500000000, 0.0079383600000000 ] - [ 0.1319468800000000, -0.0055761600000000, 0.0077785800000000 ] - [ -0.1136878900000000, 0.0091943200000000, -0.0065033100000000 ] - [ -0.1311236900000000, -0.0066061200000000, -0.0088144800000000 ] - [ -0.1315188500000000, 0.0059154300000000, -0.0083789300000000 ] - [ -0.1315301200000000, 0.0056856400000000, -0.0082734200000000 ] - [ -0.0786746000000000, 0.0160943300000000, 0.0144765000000000 ] - [ -0.0790631700000000, 0.0156006400000000, 0.0143059700000000 ] - [ -0.0794162900000000, -0.0157163700000000, 0.0150328100000000 ] - [ -0.0790603000000000, -0.0156949700000000, 0.0142871500000000 ] - [ 0.0785913600000000, -0.0165419600000000, -0.0143905500000000 ] - [ 0.0728585900000000, 0.0171184500000000, -0.0351951000000000 ] - [ -0.0245294100000000, -0.0058493000000000, -0.0645065100000000 ] - [ -0.0245119500000000, -0.0060329700000000, -0.0639660900000000 ] - [ 0.0249055400000000, -0.0061984900000000, 0.0638022100000000 ] - [ 0.0245229100000000, -0.0060326300000000, 0.0641244400000000 ] - [ 0.0244032100000000, 0.0059833200000000, 0.0642794400000000 ] - [ 0.0247469800000000, 0.0059886300000000, 0.0640902300000000 ] - [ -0.0337084600000000, 0.0157530000000000, -0.0577307000000000 ] - [ -0.0244819700000000, 0.0052134000000000, -0.0647048200000000 ] - [ -0.0198459600000000, -0.1889377800000000, 0.0763304300000000 ] - [ -0.0211569200000000, -0.1944253600000000, 0.0710485700000000 ] - [ 0.0208207600000000, -0.1934741000000000, -0.0704914100000000 ] - [ 0.0212073000000000, -0.1937027400000000, -0.0708312500000000 ] - [ 0.0211574900000000, 0.1934896800000000, -0.0707078400000000 ] - [ 0.0211296500000000, 0.1936935000000000, -0.0708470900000000 ] - [ -0.0212392400000000, 0.1937203200000000, 0.0707065700000000 ] - [ -0.0211716100000000, 0.1933203000000000, 0.0708028800000000 ] - [ 0.0568000100000000, -0.0155290900000000, -0.0081800500000000 ] - [ 0.0565741000000000, -0.0156961000000000, -0.0080886900000000 ] - [ -0.0570412600000000, -0.0152924000000000, 0.0080809800000000 ] - [ -0.0569276300000000, -0.0156874600000000, 0.0081918000000000 ] - [ -0.0568941000000000, 0.0159462600000000, 0.0090827600000000 ] - [ -0.0566369100000000, 0.0155436400000000, 0.0081916800000000 ] - [ 0.0561673900000000, 0.0156551100000000, -0.0085378500000000 ] - [ 0.0559847900000000, 0.0159108900000000, -0.0083677800000000 ] - [ -0.0096289000000000, 0.2018179700000000, 0.0795695900000000 ] - [ -0.0097612000000000, 0.2038290600000000, 0.0804187700000000 ] - [ 0.0082947800000000, 0.2023704100000000, -0.0797317000000000 ] - [ 0.0097822200000000, 0.2019196800000000, -0.0798664400000000 ] - [ 0.0095907900000000, -0.2019726200000000, -0.0795701600000000 ] - [ 0.0096274800000000, -0.2021499300000000, -0.0798775800000000 ] - [ -0.0095907700000000, -0.2018090900000000, 0.0797149200000000 ] - [ -0.0098358800000000, -0.2018328100000000, 0.0803879400000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0066665700000000, 0.0072529600000000, -0.0167389800000000 ] - [ -0.0066398300000000, 0.0071607300000000, -0.0167058100000000 ] - [ -0.0058500100000000, -0.0072008100000000, -0.0164961200000000 ] - [ -0.0066083300000000, -0.0072050200000000, -0.0167548200000000 ] - [ 0.0066568900000000, -0.0073569700000000, 0.0168537700000000 ] - [ 0.0061884000000000, -0.0073241000000000, 0.0168240800000000 ] - [ 0.0065234200000000, 0.0069435400000000, 0.0158980200000000 ] - [ 0.0065146200000000, 0.0071882600000000, 0.0167246100000000 ] - [ -0.0011223400000000, 0.0001865100000000, -0.0043509800000000 ] - [ -0.0014601700000000, -0.0003570200000000, -0.0055383200000000 ] - [ 0.0015658700000000, -0.0002848000000000, 0.0054770000000000 ] - [ 0.0015718400000000, -0.0002778000000000, 0.0054326400000000 ] - [ 0.0014522300000000, -0.0000824700000000, 0.0054224400000000 ] - [ 0.0026293700000000, 0.0007299600000000, 0.0051484100000000 ] - [ -0.0012009800000000, 0.0005324100000000, -0.0046577400000000 ] - [ -0.0015970400000000, 0.0001215000000000, -0.0054778800000000 ] - [ 0.0105269700000000, -0.0057388800000000, 0.0018699000000000 ] - [ 0.0116673200000000, -0.0068570200000000, 0.0014517800000000 ] - [ -0.0117351900000000, -0.0067435800000000, -0.0013600600000000 ] - [ -0.0117160800000000, -0.0066696200000000, -0.0015128900000000 ] - [ -0.0116385500000000, 0.0065695500000000, -0.0016120700000000 ] - [ -0.0116675000000000, 0.0067724300000000, -0.0016454200000000 ] - [ 0.0113976900000000, 0.0072274900000000, 0.0014760300000000 ] - [ 0.0117197900000000, 0.0065156300000000, 0.0017257600000000 ] - [ -0.0003462300000000, -0.0039860300000000, 0.0084049200000000 ] - [ 0.0001447500000000, -0.0041265000000000, 0.0089169100000000 ] - [ -0.0000313700000000, -0.0040861400000000, -0.0087134700000000 ] - [ 0.0002282100000000, -0.0042280600000000, -0.0090742500000000 ] - [ -0.0005226900000000, 0.0031759400000000, -0.0114264900000000 ] - [ -0.0000797400000000, 0.0030867000000000, -0.0086769900000000 ] - [ 0.0000851600000000, 0.0041942100000000, 0.0088527300000000 ] - [ 0.0000254100000000, 0.0039921300000000, 0.0089439400000000 ] - [ -0.0158609000000000, -0.0337245000000000, -0.0313510600000000 ] - [ -0.0159670700000000, -0.0335444400000000, -0.0310961800000000 ] - [ -0.0208491400000000, -0.0494007100000000, -0.0056606200000000 ] - [ -0.0205680900000000, -0.0495552200000000, -0.0059235000000000 ] - [ -0.0208133900000000, 0.0490625600000000, -0.0058291900000000 ] - [ -0.0207539600000000, 0.0492351100000000, -0.0057805000000000 ] - [ 0.0205895100000000, 0.0494767000000000, 0.0057667400000000 ] - [ 0.0205746800000000, 0.0490082800000000, 0.0058251000000000 ] - [ 0.0478579900000000, 0.0523893000000000, -0.0265296000000000 ] - [ 0.0435902800000000, -0.0196075900000000, -0.0210387100000000 ] - [ -0.0435591400000000, -0.0192408800000000, 0.0211582200000000 ] - [ -0.0434261300000000, -0.0192416900000000, 0.0210539000000000 ] - [ -0.0433971000000000, 0.0186828900000000, 0.0209770100000000 ] - [ -0.0434450300000000, 0.0190682600000000, 0.0210102900000000 ] - [ 0.0437227900000000, 0.0190866800000000, -0.0210629500000000 ] - [ 0.0435713400000000, 0.0188320300000000, -0.0208576900000000 ] - [ 0.0423383500000000, -0.0161605500000000, -0.0250821600000000 ] - [ 0.0440056600000000, -0.0189094800000000, -0.0272783200000000 ] - [ -0.0443012700000000, -0.0213055400000000, 0.0270025700000000 ] - [ -0.0421630000000000, -0.0218152000000000, 0.0230865300000000 ] - [ -0.0434544300000000, 0.0186200800000000, 0.0268304200000000 ] - [ -0.0433783000000000, 0.0189287700000000, 0.0270344300000000 ] - [ 0.0435971400000000, 0.0190005800000000, -0.0268254800000000 ] - [ 0.0436646500000000, 0.0185137500000000, -0.0269958800000000 ] - [ 0.0159019400000000, -0.0332356700000000, 0.0315582100000000 ] - [ 0.0158530700000000, -0.0336742600000000, 0.0313794400000000 ] - [ -0.0150024300000000, 0.0312977300000000, -0.0314289700000000 ] - [ -0.0195674600000000, 0.0307373300000000, -0.0332280400000000 ] - [ 0.0159440100000000, 0.0339712300000000, 0.0316363400000000 ] - [ 0.0159150700000000, 0.0335111400000000, 0.0312083000000000 ] - [ 0.0200444800000000, -0.0469594100000000, 0.0083595300000000 ] - [ 0.0209735500000000, -0.0492319600000000, 0.0053685800000000 ] - [ 0.0788957200000000, 0.0155910500000000, -0.0143339200000000 ] - [ 0.0788752500000000, 0.0158632000000000, -0.0145484900000000 ] - [ 0.1314342300000000, 0.0058125800000000, 0.0085689900000000 ] - [ 0.1312411200000000, 0.0060344100000000, 0.0081533900000000 ] - [ 0.1312322800000000, -0.0056432600000000, 0.0086870800000000 ] - [ 0.1312109500000000, -0.0060202900000000, 0.0088583600000000 ] - [ -0.1490788800000000, -0.0206950900000000, -0.0101065500000000 ] - [ -0.1320334000000000, -0.0049866800000000, -0.0078162700000000 ] - [ -0.1316413200000000, 0.0056843900000000, -0.0082540900000000 ] - [ -0.1316304600000000, 0.0059145800000000, -0.0083603200000000 ] - [ -0.0794360100000000, 0.0154368900000000, 0.0142520000000000 ] - [ -0.0790437900000000, 0.0159313000000000, 0.0144244600000000 ] - [ -0.0786912700000000, -0.0158168000000000, 0.0136953700000000 ] - [ -0.0790474600000000, -0.0158364300000000, 0.0144427300000000 ] - [ 0.0795150200000000, -0.0149902700000000, -0.0143434800000000 ] - [ 0.0855070300000000, -0.0497751600000000, 0.0073480000000000 ] - [ -0.0244184000000000, -0.0061995500000000, -0.0637635800000000 ] - [ -0.0244384800000000, -0.0060142400000000, -0.0643080900000000 ] - [ 0.0240422500000000, -0.0058490500000000, 0.0644744500000000 ] - [ 0.0244273500000000, -0.0060140800000000, 0.0641500400000000 ] - [ 0.0245464000000000, 0.0060642200000000, 0.0639961500000000 ] - [ 0.0242029800000000, 0.0060583200000000, 0.0641857100000000 ] - [ -0.0154715800000000, -0.0036803500000000, -0.0704100600000000 ] - [ -0.0244701400000000, 0.0068362300000000, -0.0635692300000000 ] - [ -0.0223799700000000, -0.1981286000000000, 0.0653011300000000 ] - [ -0.0210831300000000, -0.1927182900000000, 0.0705356100000000 ] - [ 0.0214265600000000, -0.1936684800000000, -0.0710963900000000 ] - [ 0.0210351900000000, -0.1934417600000000, -0.0707527900000000 ] - [ 0.0210855500000000, 0.1936553900000000, -0.0708765500000000 ] - [ 0.0211127200000000, 0.1934518800000000, -0.0707372000000000 ] - [ -0.0210044100000000, 0.1934215900000000, 0.0708777700000000 ] - [ -0.0210706600000000, 0.1938219200000000, 0.0707813900000000 ] - [ 0.0569319600000000, -0.0155788200000000, -0.0082090100000000 ] - [ 0.0571578300000000, -0.0154115900000000, -0.0082996000000000 ] - [ -0.0566916900000000, -0.0158151300000000, 0.0083074100000000 ] - [ -0.0568048000000000, -0.0154193400000000, 0.0081976400000000 ] - [ -0.0568362800000000, 0.0151593100000000, 0.0073031200000000 ] - [ -0.0570925400000000, 0.0155662000000000, 0.0081993900000000 ] - [ 0.0575661800000000, 0.0154582500000000, -0.0078565700000000 ] - [ 0.0577520100000000, 0.0152003500000000, -0.0080159900000000 ] - [ -0.0095496200000000, 0.2022362100000000, 0.0800374600000000 ] - [ -0.0094185900000000, 0.2001970900000000, 0.0791857500000000 ] - [ 0.0108770500000000, 0.2016889200000000, -0.0798715300000000 ] - [ 0.0093939300000000, 0.2021413500000000, -0.0797423600000000 ] - [ 0.0095846800000000, -0.2020864200000000, -0.0800390200000000 ] - [ 0.0095482800000000, -0.2019090500000000, -0.0797303600000000 ] - [ -0.0095832500000000, -0.2022473900000000, 0.0798941100000000 ] - [ -0.0093393000000000, -0.2022200000000000, 0.0792165000000000 ]- atom: 41 displacement: [ -0.0000427683518374, 0.0000000000000000, 0.0099999085429858 ] forces: - [ -0.0065224000000000, 0.0072190400000000, -0.0167847300000000 ] - [ -0.0065846900000000, 0.0072273900000000, -0.0167530900000000 ] - [ -0.0069739700000000, -0.0074504300000000, -0.0166483800000000 ] - [ -0.0066141500000000, -0.0070617100000000, -0.0166143000000000 ] - [ 0.0066108400000000, -0.0072888200000000, 0.0166828100000000 ] - [ 0.0072075800000000, -0.0067115800000000, 0.0168960900000000 ] - [ 0.0066954600000000, 0.0071818200000000, 0.0168059400000000 ] - [ 0.0066129900000000, 0.0071972800000000, 0.0167225000000000 ] - [ -0.0014081300000000, -0.0003978200000000, -0.0049897800000000 ] - [ -0.0015069400000000, -0.0002902500000000, -0.0053075700000000 ] - [ 0.0014228700000000, -0.0002607400000000, 0.0053154500000000 ] - [ 0.0014606200000000, -0.0002695800000000, 0.0053746800000000 ] - [ 0.0015325200000000, -0.0001469100000000, 0.0055598600000000 ] - [ 0.0019645000000000, 0.0002896400000000, 0.0052675900000000 ] - [ -0.0023458100000000, -0.0005913000000000, -0.0047680000000000 ] - [ -0.0016831900000000, 0.0004660800000000, -0.0054827200000000 ] - [ 0.0108352100000000, -0.0071072800000000, 0.0024218900000000 ] - [ 0.0116653300000000, -0.0065600400000000, 0.0016887900000000 ] - [ -0.0116074500000000, -0.0066156100000000, -0.0015886300000000 ] - [ -0.0116631500000000, -0.0066884500000000, -0.0015990400000000 ] - [ -0.0117561600000000, 0.0066665500000000, -0.0014805200000000 ] - [ -0.0115537900000000, 0.0066476800000000, -0.0015165700000000 ] - [ 0.0117765200000000, 0.0062307200000000, 0.0018294500000000 ] - [ 0.0117769300000000, 0.0067509400000000, 0.0016831600000000 ] - [ -0.0003002500000000, -0.0037821100000000, 0.0086089800000000 ] - [ 0.0000202500000000, -0.0040920400000000, 0.0089755400000000 ] - [ -0.0000685500000000, -0.0040882300000000, -0.0089357600000000 ] - [ -0.0002804200000000, -0.0037947600000000, -0.0084229900000000 ] - [ 0.0012667200000000, 0.0065628100000000, -0.0063796800000000 ] - [ 0.0000143800000000, 0.0039865000000000, -0.0084998600000000 ] - [ -0.0000746400000000, 0.0040082600000000, 0.0088849700000000 ] - [ 0.0000391500000000, 0.0040673700000000, 0.0087906800000000 ] - [ -0.0158168900000000, -0.0335906500000000, -0.0313316800000000 ] - [ -0.0158204500000000, -0.0335537600000000, -0.0315173900000000 ] - [ -0.0211577300000000, -0.0494463400000000, -0.0062781300000000 ] - [ -0.0206841300000000, -0.0491248000000000, -0.0057999400000000 ] - [ -0.0206362700000000, 0.0491450700000000, -0.0057389200000000 ] - [ -0.0206357700000000, 0.0491961400000000, -0.0057665800000000 ] - [ 0.0206901300000000, 0.0488267900000000, 0.0056623600000000 ] - [ 0.0207420000000000, 0.0491509300000000, 0.0057772700000000 ] - [ 0.0373756600000000, -0.0134934400000000, -0.0863734000000000 ] - [ 0.0432662800000000, -0.0188442100000000, -0.0210753500000000 ] - [ -0.0430749400000000, -0.0188279400000000, 0.0210603500000000 ] - [ -0.0438726500000000, -0.0187256300000000, 0.0210554000000000 ] - [ -0.0436710900000000, 0.0189044800000000, 0.0209275200000000 ] - [ -0.0435900100000000, 0.0188715800000000, 0.0209621800000000 ] - [ 0.0435060600000000, 0.0188169000000000, -0.0208459400000000 ] - [ 0.0436116100000000, 0.0190229500000000, -0.0210168100000000 ] - [ 0.0432936400000000, -0.0203952900000000, -0.0270394600000000 ] - [ 0.0441531900000000, -0.0184233100000000, -0.0269447400000000 ] - [ -0.0442395100000000, -0.0195201900000000, 0.0272888100000000 ] - [ -0.0437312300000000, -0.0180600400000000, 0.0232035100000000 ] - [ -0.0435428800000000, 0.0187966300000000, 0.0269873100000000 ] - [ -0.0436062800000000, 0.0188320600000000, 0.0269131200000000 ] - [ 0.0434463800000000, 0.0188764700000000, -0.0268614500000000 ] - [ 0.0435178200000000, 0.0188075200000000, -0.0268889100000000 ] - [ 0.0160048200000000, -0.0335834100000000, 0.0313244500000000 ] - [ 0.0158731500000000, -0.0335727200000000, 0.0313768300000000 ] - [ -0.0143873100000000, 0.0352065000000000, -0.0323466600000000 ] - [ -0.0177150700000000, 0.0329982400000000, -0.0338722900000000 ] - [ 0.0159984900000000, 0.0338211700000000, 0.0316186600000000 ] - [ 0.0158536000000000, 0.0334800600000000, 0.0311669300000000 ] - [ 0.0244904900000000, -0.0519707100000000, 0.0020672700000000 ] - [ 0.0213957900000000, -0.0486304600000000, 0.0053257700000000 ] - [ 0.0791338400000000, 0.0158962500000000, -0.0144335100000000 ] - [ 0.0790427100000000, 0.0156661800000000, -0.0142748600000000 ] - [ 0.1315627100000000, 0.0057913600000000, 0.0084050200000000 ] - [ 0.1315470400000000, 0.0058402300000000, 0.0082702500000000 ] - [ 0.1312502900000000, -0.0061572200000000, 0.0087692000000000 ] - [ 0.1316919900000000, -0.0058673700000000, 0.0089194500000000 ] - [ -0.1306151000000000, -0.0036916200000000, -0.0040315000000000 ] - [ -0.1322721000000000, -0.0053479100000000, -0.0073966600000000 ] - [ -0.1315154500000000, 0.0057937300000000, -0.0083380300000000 ] - [ -0.1315135700000000, 0.0058129600000000, -0.0082411900000000 ] - [ -0.0792033500000000, 0.0157883800000000, 0.0143093400000000 ] - [ -0.0790542500000000, 0.0157677400000000, 0.0143807100000000 ] - [ -0.0795768200000000, -0.0158020300000000, 0.0148155800000000 ] - [ -0.0790981600000000, -0.0159099800000000, 0.0143933600000000 ] - [ 0.0788271100000000, -0.0162283000000000, -0.0144611600000000 ] - [ 0.0839537700000000, -0.0363466000000000, 0.0021784600000000 ] - [ -0.0243664700000000, -0.0057033500000000, -0.0646332300000000 ] - [ -0.0245295000000000, -0.0060451300000000, -0.0641913300000000 ] - [ 0.0244651200000000, -0.0060542800000000, 0.0640940800000000 ] - [ 0.0244251300000000, -0.0060487700000000, 0.0641646400000000 ] - [ 0.0244629500000000, 0.0064918100000000, 0.0641719100000000 ] - [ 0.0244731400000000, 0.0059015700000000, 0.0641488200000000 ] - [ -0.0358532600000000, 0.0123528400000000, -0.0553379000000000 ] - [ -0.0243604000000000, 0.0062981100000000, -0.0629675500000000 ] - [ -0.0105136900000000, -0.1870975700000000, 0.1064679200000000 ] - [ -0.0211818800000000, -0.1943047900000000, 0.0708754300000000 ] - [ 0.0214563100000000, -0.1932731200000000, -0.0709759000000000 ] - [ 0.0211681900000000, -0.1936545500000000, -0.0708367000000000 ] - [ 0.0210970100000000, 0.1935249900000000, -0.0707677400000000 ] - [ 0.0211082200000000, 0.1935254000000000, -0.0707940900000000 ] - [ -0.0210624400000000, 0.1935365000000000, 0.0707105200000000 ] - [ -0.0210319700000000, 0.1933911800000000, 0.0708155300000000 ] - [ 0.0568233100000000, -0.0155295700000000, -0.0082009200000000 ] - [ 0.0568373900000000, -0.0155766300000000, -0.0081686700000000 ] - [ -0.0570229000000000, -0.0154175400000000, 0.0080901700000000 ] - [ -0.0568915800000000, -0.0155517100000000, 0.0081207500000000 ] - [ -0.0571928200000000, 0.0159340600000000, 0.0094067800000000 ] - [ -0.0570508100000000, 0.0155204400000000, 0.0082465300000000 ] - [ 0.0570290300000000, 0.0145012500000000, -0.0077225600000000 ] - [ 0.0566243400000000, 0.0155731100000000, -0.0070704400000000 ] - [ -0.0097361700000000, 0.2024146700000000, 0.0796965900000000 ] - [ -0.0093326900000000, 0.2037609900000000, 0.0803180600000000 ] - [ 0.0094750000000000, 0.2021800000000000, -0.0800284100000000 ] - [ 0.0095198000000000, 0.2019830400000000, -0.0798407700000000 ] - [ 0.0095574400000000, -0.2020410700000000, -0.0797663200000000 ] - [ 0.0096103800000000, -0.2020188700000000, -0.0798051800000000 ] - [ -0.0094332900000000, -0.2018876800000000, 0.0795804400000000 ] - [ -0.0097286400000000, -0.2019861400000000, 0.0801782200000000 ]- atom: 41 displacement: [ 0.0000427683518374, 0.0000000000000000, -0.0099999085429858 ] forces: - [ -0.0066635900000000, 0.0072297700000000, -0.0167217000000000 ] - [ -0.0066024400000000, 0.0072206400000000, -0.0167550100000000 ] - [ -0.0062108300000000, -0.0069983400000000, -0.0168501900000000 ] - [ -0.0065741900000000, -0.0073902900000000, -0.0168917900000000 ] - [ 0.0065775200000000, -0.0071586900000000, 0.0168231500000000 ] - [ 0.0059830300000000, -0.0077344400000000, 0.0166032400000000 ] - [ 0.0064906200000000, 0.0072696300000000, 0.0166947900000000 ] - [ 0.0065743600000000, 0.0072543900000000, 0.0167862300000000 ] - [ -0.0015837300000000, -0.0001532000000000, -0.0057817900000000 ] - [ -0.0014857700000000, -0.0002603600000000, -0.0054650100000000 ] - [ 0.0015684000000000, -0.0002893600000000, 0.0054566300000000 ] - [ 0.0015311700000000, -0.0002806200000000, 0.0053975500000000 ] - [ 0.0014591100000000, 0.0006972900000000, 0.0052131500000000 ] - [ 0.0010269400000000, 0.0002604400000000, 0.0055063800000000 ] - [ -0.0006410700000000, 0.0011503000000000, -0.0060175500000000 ] - [ -0.0013098200000000, 0.0000835400000000, -0.0052907400000000 ] - [ 0.0124868300000000, -0.0062519800000000, 0.0006866900000000 ] - [ 0.0116636300000000, -0.0068014300000000, 0.0014141700000000 ] - [ -0.0117209000000000, -0.0067410000000000, -0.0015157200000000 ] - [ -0.0116650000000000, -0.0066684500000000, -0.0015036300000000 ] - [ -0.0115716900000000, 0.0066903700000000, -0.0016199700000000 ] - [ -0.0117755000000000, 0.0067105300000000, -0.0015827000000000 ] - [ 0.0115556800000000, 0.0071187500000000, 0.0012722800000000 ] - [ 0.0115518700000000, 0.0066041300000000, 0.0014170900000000 ] - [ 0.0002505100000000, -0.0043188600000000, 0.0091930200000000 ] - [ -0.0000737000000000, -0.0040079800000000, 0.0088241100000000 ] - [ 0.0001216800000000, -0.0040139900000000, -0.0088641200000000 ] - [ 0.0003292000000000, -0.0043050800000000, -0.0093793600000000 ] - [ -0.0012002900000000, 0.0015861000000000, -0.0113736900000000 ] - [ 0.0000394600000000, 0.0041159000000000, -0.0092980500000000 ] - [ 0.0000213300000000, 0.0040932800000000, 0.0089116800000000 ] - [ -0.0000931100000000, 0.0040344700000000, 0.0090070600000000 ] - [ -0.0159338800000000, -0.0336033500000000, -0.0314443100000000 ] - [ -0.0159313800000000, -0.0336383400000000, -0.0312598700000000 ] - [ -0.0202018500000000, -0.0488421500000000, -0.0052666900000000 ] - [ -0.0206768400000000, -0.0491697800000000, -0.0057523800000000 ] - [ -0.0207227000000000, 0.0491486400000000, -0.0058117500000000 ] - [ -0.0207222900000000, 0.0490993800000000, -0.0057844900000000 ] - [ 0.0206727000000000, 0.0494600900000000, 0.0058853800000000 ] - [ 0.0206177600000000, 0.0491430700000000, 0.0057728300000000 ] - [ 0.0505260800000000, -0.0236060000000000, 0.0456374400000000 ] - [ 0.0439167600000000, -0.0190160400000000, -0.0208328700000000 ] - [ -0.0441070600000000, -0.0190291700000000, 0.0208472400000000 ] - [ -0.0433029500000000, -0.0191345900000000, 0.0208490900000000 ] - [ -0.0435084200000000, 0.0189519200000000, 0.0209770000000000 ] - [ -0.0435912800000000, 0.0189856400000000, 0.0209425200000000 ] - [ 0.0436696000000000, 0.0190378600000000, -0.0210581500000000 ] - [ 0.0435690100000000, 0.0188324700000000, -0.0208890100000000 ] - [ 0.0437969500000000, -0.0172579500000000, -0.0267418700000000 ] - [ 0.0429288300000000, -0.0192323000000000, -0.0268430600000000 ] - [ -0.0428426100000000, -0.0181361900000000, 0.0265000600000000 ] - [ -0.0433518500000000, -0.0195840100000000, 0.0305802100000000 ] - [ -0.0435418700000000, 0.0188599200000000, 0.0267961600000000 ] - [ -0.0434773400000000, 0.0188236500000000, 0.0268711900000000 ] - [ 0.0436359900000000, 0.0187783600000000, -0.0269238500000000 ] - [ 0.0435644200000000, 0.0188484400000000, -0.0268956700000000 ] - [ 0.0157482200000000, -0.0336113900000000, 0.0314484000000000 ] - [ 0.0158786400000000, -0.0336223000000000, 0.0313975300000000 ] - [ -0.0173625500000000, 0.0319833500000000, -0.0304185100000000 ] - [ -0.0140351800000000, 0.0342176200000000, -0.0289028500000000 ] - [ 0.0157505500000000, 0.0333696300000000, 0.0311575900000000 ] - [ 0.0158959100000000, 0.0337167800000000, 0.0316082100000000 ] - [ 0.0168950100000000, -0.0463201500000000, 0.0095124400000000 ] - [ 0.0199599100000000, -0.0496655200000000, 0.0062256100000000 ] - [ 0.0789739900000000, 0.0156371400000000, -0.0142949800000000 ] - [ 0.0790642900000000, 0.0158666400000000, -0.0144546600000000 ] - [ 0.1315978600000000, 0.0058083900000000, 0.0082280800000000 ] - [ 0.1316145400000000, 0.0057587400000000, 0.0083638000000000 ] - [ 0.1319126100000000, -0.0054418100000000, 0.0078634300000000 ] - [ 0.1314582800000000, -0.0057338700000000, 0.0077122200000000 ] - [ -0.1327020700000000, -0.0079992400000000, -0.0126158500000000 ] - [ -0.1308868200000000, -0.0062499800000000, -0.0092338400000000 ] - [ -0.1316443400000000, 0.0058066300000000, -0.0082952800000000 ] - [ -0.1316462800000000, 0.0057876400000000, -0.0083915100000000 ] - [ -0.0789049500000000, 0.0157440400000000, 0.0144204100000000 ] - [ -0.0790521600000000, 0.0157642400000000, 0.0143493900000000 ] - [ -0.0785300500000000, -0.0157299600000000, 0.0139147200000000 ] - [ -0.0790075800000000, -0.0156226400000000, 0.0143360500000000 ] - [ 0.0792798400000000, -0.0153021300000000, -0.0142671700000000 ] - [ 0.0742156200000000, 0.0043991200000000, -0.0308298600000000 ] - [ -0.0245829600000000, -0.0063405100000000, -0.0636519100000000 ] - [ -0.0244207900000000, -0.0060015000000000, -0.0640828500000000 ] - [ 0.0244818900000000, -0.0059919600000000, 0.0641818800000000 ] - [ 0.0245258000000000, -0.0059987400000000, 0.0641093800000000 ] - [ 0.0244876400000000, 0.0055518100000000, 0.0641028900000000 ] - [ 0.0244756600000000, 0.0061475500000000, 0.0641269300000000 ] - [ -0.0132578700000000, -0.0002156600000000, -0.0729258500000000 ] - [ -0.0245883000000000, 0.0057476200000000, -0.0653160000000000 ] - [ -0.0322586600000000, -0.2004419000000000, 0.0338304000000000 ] - [ -0.0210585400000000, -0.1928297100000000, 0.0707091300000000 ] - [ 0.0207827700000000, -0.1938732000000000, -0.0706101700000000 ] - [ 0.0210747000000000, -0.1934900400000000, -0.0707480300000000 ] - [ 0.0211459000000000, 0.1936219200000000, -0.0708169400000000 ] - [ 0.0211339000000000, 0.1936210600000000, -0.0707896700000000 ] - [ -0.0211820700000000, 0.1936079800000000, 0.0708719300000000 ] - [ -0.0212103300000000, 0.1937492500000000, 0.0707656800000000 ] - [ 0.0569077800000000, -0.0155773800000000, -0.0081886800000000 ] - [ 0.0568948300000000, -0.0155315500000000, -0.0082199100000000 ] - [ -0.0567134100000000, -0.0156891400000000, 0.0082973700000000 ] - [ -0.0568406900000000, -0.0155550400000000, 0.0082685900000000 ] - [ -0.0565296200000000, 0.0151714000000000, 0.0069845100000000 ] - [ -0.0566794200000000, 0.0155865400000000, 0.0081442700000000 ] - [ 0.0567017300000000, 0.0166097400000000, -0.0086661600000000 ] - [ 0.0571168600000000, 0.0155348500000000, -0.0093296300000000 ] - [ -0.0094422500000000, 0.2016323500000000, 0.0799127800000000 ] - [ -0.0098366300000000, 0.2002663100000000, 0.0792904300000000 ] - [ 0.0097015500000000, 0.2018789200000000, -0.0795819800000000 ] - [ 0.0096562500000000, 0.2020764500000000, -0.0797662300000000 ] - [ 0.0096188500000000, -0.2020182200000000, -0.0798423400000000 ] - [ 0.0095648800000000, -0.2020414900000000, -0.0798024000000000 ] - [ -0.0097398100000000, -0.2021657200000000, 0.0800259200000000 ] - [ -0.0094484500000000, -0.2020679800000000, 0.0794319800000000 ]- atom: 49 displacement: [ 0.0099999992956673, 0.0000000000000000, 0.0000037532191477 ] forces: - [ -0.0065116500000000, 0.0072429500000000, -0.0168195300000000 ] - [ -0.0065214800000000, 0.0072745100000000, -0.0168135000000000 ] - [ -0.0056851200000000, -0.0069331000000000, -0.0167230700000000 ] - [ -0.0065044200000000, -0.0071963200000000, -0.0167461000000000 ] - [ 0.0067944900000000, -0.0071030100000000, 0.0167882000000000 ] - [ 0.0067806500000000, -0.0071846200000000, 0.0167663400000000 ] - [ 0.0067085800000000, 0.0072015700000000, 0.0166522000000000 ] - [ 0.0066460100000000, 0.0072038200000000, 0.0166818700000000 ] - [ -0.0016058400000000, -0.0002052000000000, -0.0055609000000000 ] - [ -0.0015819600000000, -0.0003157200000000, -0.0055337200000000 ] - [ 0.0012504700000000, -0.0002768400000000, 0.0046998800000000 ] - [ 0.0014803200000000, -0.0002691400000000, 0.0055435400000000 ] - [ 0.0007986100000000, 0.0000021400000000, 0.0054608600000000 ] - [ 0.0001205000000000, 0.0004690500000000, 0.0048000300000000 ] - [ 0.0018226800000000, -0.0022398100000000, -0.0014860400000000 ] - [ -0.0012942400000000, 0.0004913600000000, -0.0053149500000000 ] - [ 0.0118334300000000, -0.0066432900000000, 0.0014701400000000 ] - [ 0.0118481200000000, -0.0066643900000000, 0.0014495000000000 ] - [ -0.0116153400000000, -0.0067382600000000, -0.0014707000000000 ] - [ -0.0117890200000000, -0.0068638100000000, -0.0015234200000000 ] - [ -0.0114419900000000, 0.0069773900000000, -0.0012579000000000 ] - [ -0.0114577300000000, 0.0059333500000000, -0.0012167700000000 ] - [ 0.0118576600000000, 0.0065897900000000, 0.0015972300000000 ] - [ 0.0117436500000000, 0.0066783000000000, 0.0016366400000000 ] - [ -0.0014263000000000, -0.0036118900000000, 0.0092099700000000 ] - [ -0.0001185300000000, -0.0040293800000000, 0.0088618000000000 ] - [ -0.0000437900000000, -0.0040566000000000, -0.0088352900000000 ] - [ 0.0001319600000000, -0.0039671200000000, -0.0087568900000000 ] - [ 0.0006538200000000, 0.0039826300000000, -0.0096757900000000 ] - [ -0.0000244500000000, 0.0040561500000000, -0.0090477800000000 ] - [ -0.0003792800000000, 0.0034972500000000, 0.0091425200000000 ] - [ -0.0000664000000000, 0.0045429000000000, 0.0089904300000000 ] - [ -0.0157896700000000, -0.0334813900000000, -0.0315030100000000 ] - [ -0.0157688900000000, -0.0336176500000000, -0.0314252000000000 ] - [ -0.0197204100000000, -0.0487794700000000, -0.0063922700000000 ] - [ -0.0205552900000000, -0.0493621300000000, -0.0054913300000000 ] - [ -0.0204205900000000, 0.0492455700000000, -0.0056798000000000 ] - [ -0.0206639900000000, 0.0490742800000000, -0.0057784400000000 ] - [ 0.0208693400000000, 0.0491154600000000, 0.0057662600000000 ] - [ 0.0207830300000000, 0.0491385800000000, 0.0057903800000000 ] - [ 0.0467153700000000, -0.0177195700000000, -0.0211829900000000 ] - [ 0.0437067900000000, -0.0193939100000000, -0.0203380300000000 ] - [ -0.0437852000000000, -0.0175556500000000, 0.0207597100000000 ] - [ -0.0468086100000000, -0.0196918300000000, 0.0202404400000000 ] - [ -0.0439887400000000, 0.0188410800000000, 0.0209506200000000 ] - [ -0.0435141200000000, 0.0187649900000000, 0.0208878600000000 ] - [ 0.0435183600000000, 0.0189850100000000, -0.0210478700000000 ] - [ 0.0435558900000000, 0.0190523500000000, -0.0209761900000000 ] - [ -0.0305052500000000, -0.0194992000000000, -0.0269124900000000 ] - [ 0.0435615200000000, -0.0185593000000000, -0.0274503700000000 ] - [ -0.0424465100000000, -0.0217791000000000, 0.0284477900000000 ] - [ -0.0424382800000000, -0.0182003200000000, 0.0271451600000000 ] - [ -0.0433969600000000, 0.0187420300000000, 0.0268911800000000 ] - [ -0.0436460300000000, 0.0187403600000000, 0.0269478600000000 ] - [ 0.0433282800000000, 0.0192139600000000, -0.0268488200000000 ] - [ 0.0434716900000000, 0.0188398200000000, -0.0268275200000000 ] - [ 0.0159834100000000, -0.0337213700000000, 0.0314656100000000 ] - [ 0.0158711900000000, -0.0336141500000000, 0.0313512300000000 ] - [ -0.0153554900000000, 0.0334530400000000, -0.0312767200000000 ] - [ -0.0154717400000000, 0.0335403500000000, -0.0310955700000000 ] - [ 0.0221396600000000, 0.0338148300000000, 0.0264589400000000 ] - [ 0.0154247900000000, 0.0336583700000000, 0.0307925600000000 ] - [ 0.0212531600000000, -0.0491746700000000, 0.0058909300000000 ] - [ 0.0208481400000000, -0.0489251900000000, 0.0058048800000000 ] - [ 0.0792446400000000, 0.0157309500000000, -0.0142796700000000 ] - [ 0.0789916300000000, 0.0157222300000000, -0.0143764000000000 ] - [ 0.1317897000000000, 0.0057690400000000, 0.0088404600000000 ] - [ 0.1316723300000000, 0.0058477500000000, 0.0083638400000000 ] - [ 0.1321023000000000, -0.0056685900000000, 0.0081838800000000 ] - [ 0.1416929300000000, 0.0082487700000000, 0.0140029100000000 ] - [ -0.1140583100000000, -0.0176606900000000, -0.0233463800000000 ] - [ -0.1315836500000000, -0.0060383700000000, -0.0081982400000000 ] - [ -0.1313983600000000, 0.0057971300000000, -0.0084415900000000 ] - [ -0.1315466600000000, 0.0057727100000000, -0.0083423000000000 ] - [ -0.0788210600000000, 0.0156055300000000, 0.0141632400000000 ] - [ -0.0788836900000000, 0.0157018600000000, 0.0143521200000000 ] - [ -0.0724488600000000, -0.0112487500000000, 0.0038255700000000 ] - [ -0.0778383800000000, -0.0168493800000000, 0.0144260200000000 ] - [ 0.0784592300000000, -0.0144910500000000, -0.0146799400000000 ] - [ 0.0782893000000000, -0.0161921100000000, -0.0141731900000000 ] - [ -0.0245172300000000, -0.0059979300000000, -0.0641863400000000 ] - [ -0.0245606100000000, -0.0060511100000000, -0.0641152100000000 ] - [ 0.0245006400000000, -0.0061023500000000, 0.0637751600000000 ] - [ 0.0244654400000000, -0.0060187700000000, 0.0642473100000000 ] - [ 0.0246341800000000, 0.0058285700000000, 0.0646356200000000 ] - [ 0.0244857800000000, 0.0068973600000000, 0.0645509200000000 ] - [ -0.0253408000000000, 0.0060431700000000, -0.0641066800000000 ] - [ -0.0250419600000000, 0.0061074600000000, -0.0642235600000000 ] - [ -0.0215975400000000, -0.1937280100000000, 0.0706946200000000 ] - [ -0.0214134500000000, -0.1934565800000000, 0.0706243100000000 ] - [ 0.0206891700000000, -0.1921425400000000, -0.0708043600000000 ] - [ 0.0212563000000000, -0.1935586100000000, -0.0707438200000000 ] - [ 0.0209289600000000, 0.1934378600000000, -0.0706290100000000 ] - [ 0.0211722900000000, 0.1936614200000000, -0.0707623800000000 ] - [ -0.0212471900000000, 0.1935654300000000, 0.0709068300000000 ] - [ -0.0211478400000000, 0.1935618200000000, 0.0707920600000000 ] - [ 0.0567223300000000, -0.0156191800000000, -0.0081776000000000 ] - [ 0.0567667100000000, -0.0155352900000000, -0.0082089000000000 ] - [ -0.0570184600000000, -0.0154651400000000, 0.0081684500000000 ] - [ -0.0569712700000000, -0.0156108400000000, 0.0081904400000000 ] - [ -0.0576923000000000, 0.0150244600000000, 0.0088501700000000 ] - [ -0.0571573000000000, 0.0155860600000000, 0.0081508600000000 ] - [ 0.0563501200000000, 0.0153851100000000, -0.0081396300000000 ] - [ 0.0566177200000000, 0.0155120600000000, -0.0084168800000000 ] - [ -0.0098577000000000, 0.2024383200000000, 0.0795880700000000 ] - [ -0.0092854800000000, 0.2021420300000000, 0.0794711100000000 ] - [ 0.0396310800000000, 0.1977575400000000, -0.0592312800000000 ] - [ 0.0098619900000000, 0.2014555400000000, -0.0797572200000000 ] - [ 0.0095761100000000, -0.2020972000000000, -0.0797502700000000 ] - [ 0.0096465600000000, -0.2020153600000000, -0.0798111600000000 ] - [ -0.0096278200000000, -0.2020369200000000, 0.0798918400000000 ] - [ -0.0096497700000000, -0.2020052200000000, 0.0798726500000000 ]- atom: 49 displacement: [ -0.0099999992956673, 0.0000000000000000, -0.0000037532191477 ] forces: - [ -0.0066745200000000, 0.0072040000000000, -0.0166900700000000 ] - [ -0.0066652200000000, 0.0071704100000000, -0.0166968900000000 ] - [ -0.0075063400000000, -0.0075260700000000, -0.0167844700000000 ] - [ -0.0066801100000000, -0.0072519500000000, -0.0167617400000000 ] - [ 0.0063914800000000, -0.0073411700000000, 0.0167197000000000 ] - [ 0.0064074400000000, -0.0072630500000000, 0.0167414700000000 ] - [ 0.0064773900000000, 0.0072484500000000, 0.0168508300000000 ] - [ 0.0065407300000000, 0.0072440000000000, 0.0168280300000000 ] - [ -0.0013862700000000, -0.0003481500000000, -0.0052122000000000 ] - [ -0.0014097400000000, -0.0002371600000000, -0.0052396400000000 ] - [ 0.0017424600000000, -0.0002755300000000, 0.0060694900000000 ] - [ 0.0015108600000000, -0.0002830500000000, 0.0052295000000000 ] - [ 0.0021904000000000, 0.0005543600000000, 0.0053122700000000 ] - [ 0.0028751100000000, 0.0000997000000000, 0.0059573400000000 ] - [ -0.0048695600000000, 0.0028392000000000, -0.0093480200000000 ] - [ -0.0016972300000000, 0.0000668800000000, -0.0054563700000000 ] - [ 0.0114948100000000, -0.0067096300000000, 0.0016299300000000 ] - [ 0.0114805400000000, -0.0066887900000000, 0.0016517200000000 ] - [ -0.0117152600000000, -0.0066138200000000, -0.0016316500000000 ] - [ -0.0115394000000000, -0.0064904000000000, -0.0015787400000000 ] - [ -0.0118843000000000, 0.0063771900000000, -0.0018410500000000 ] - [ -0.0118677300000000, 0.0074242600000000, -0.0018870100000000 ] - [ 0.0114716000000000, 0.0067619000000000, 0.0015036900000000 ] - [ 0.0115849200000000, 0.0066743200000000, 0.0014656300000000 ] - [ 0.0013744500000000, -0.0044932300000000, 0.0085883200000000 ] - [ 0.0000654500000000, -0.0040734600000000, 0.0089372700000000 ] - [ 0.0000950900000000, -0.0040483700000000, -0.0089634300000000 ] - [ -0.0000809600000000, -0.0041383000000000, -0.0090422000000000 ] - [ -0.0006048800000000, 0.0041198400000000, -0.0081278000000000 ] - [ 0.0000759800000000, 0.0040468400000000, -0.0087516800000000 ] - [ 0.0003265700000000, 0.0046084500000000, 0.0086563100000000 ] - [ 0.0000149800000000, 0.0035616500000000, 0.0088078900000000 ] - [ -0.0159623800000000, -0.0337108500000000, -0.0312708200000000 ] - [ -0.0159817600000000, -0.0335763700000000, -0.0313484200000000 ] - [ -0.0216393800000000, -0.0495093900000000, -0.0051575600000000 ] - [ -0.0208002900000000, -0.0489338600000000, -0.0060585900000000 ] - [ -0.0209405900000000, 0.0490487100000000, -0.0058723800000000 ] - [ -0.0206955400000000, 0.0492200400000000, -0.0057739400000000 ] - [ 0.0204912600000000, 0.0491782400000000, 0.0057861800000000 ] - [ 0.0205776500000000, 0.0491552800000000, 0.0057617500000000 ] - [ 0.0404509900000000, -0.0201266900000000, -0.0207060800000000 ] - [ 0.0434732400000000, -0.0184642200000000, -0.0215630600000000 ] - [ -0.0433960600000000, -0.0203029100000000, 0.0211434800000000 ] - [ -0.0403677000000000, -0.0181628400000000, 0.0216644500000000 ] - [ -0.0431881900000000, 0.0190161100000000, 0.0209547000000000 ] - [ -0.0436644300000000, 0.0190906100000000, 0.0210157700000000 ] - [ 0.0436599900000000, 0.0188727000000000, -0.0208574000000000 ] - [ 0.0436225400000000, 0.0188059000000000, -0.0209289600000000 ] - [ 0.1170133600000000, -0.0183672700000000, -0.0279199700000000 ] - [ 0.0435204400000000, -0.0190940300000000, -0.0263331500000000 ] - [ -0.0446505200000000, -0.0158706300000000, 0.0253440100000000 ] - [ -0.0446434600000000, -0.0194638300000000, 0.0266338700000000 ] - [ -0.0436872500000000, 0.0189132600000000, 0.0268947000000000 ] - [ -0.0434383200000000, 0.0189133700000000, 0.0268380800000000 ] - [ 0.0437560400000000, 0.0184427100000000, -0.0269364400000000 ] - [ 0.0436118700000000, 0.0188156400000000, -0.0269580300000000 ] - [ 0.0157677200000000, -0.0334716900000000, 0.0313089100000000 ] - [ 0.0158799700000000, -0.0335796400000000, 0.0314221300000000 ] - [ -0.0163953100000000, 0.0337356800000000, -0.0314941300000000 ] - [ -0.0162813000000000, 0.0336561800000000, -0.0316794300000000 ] - [ 0.0097110500000000, 0.0333860800000000, 0.0362468300000000 ] - [ 0.0163289800000000, 0.0335324900000000, 0.0319768900000000 ] - [ 0.0201083000000000, -0.0491212200000000, 0.0056690700000000 ] - [ 0.0205124800000000, -0.0493666400000000, 0.0057464400000000 ] - [ 0.0788650600000000, 0.0158010500000000, -0.0144477200000000 ] - [ 0.0791151700000000, 0.0158102500000000, -0.0143512000000000 ] - [ 0.1313715000000000, 0.0058297200000000, 0.0077906700000000 ] - [ 0.1314887900000000, 0.0057523100000000, 0.0082686300000000 ] - [ 0.1310580100000000, -0.0059363500000000, 0.0084494000000000 ] - [ 0.1214967300000000, -0.0199853100000000, 0.0025826400000000 ] - [ -0.1494329600000000, 0.0064051800000000, 0.0071771900000000 ] - [ -0.1315784400000000, -0.0055650600000000, -0.0084334800000000 ] - [ -0.1317614400000000, 0.0058024000000000, -0.0081908500000000 ] - [ -0.1316137700000000, 0.0058266800000000, -0.0082899400000000 ] - [ -0.0792832500000000, 0.0159270800000000, 0.0145603500000000 ] - [ -0.0792225400000000, 0.0158309400000000, 0.0143752500000000 ] - [ -0.0857233100000000, -0.0202608400000000, 0.0248620300000000 ] - [ -0.0802680200000000, -0.0146814400000000, 0.0142979200000000 ] - [ 0.0796508300000000, -0.0170327900000000, -0.0140485800000000 ] - [ 0.0798189400000000, -0.0153393700000000, -0.0145562200000000 ] - [ -0.0244334200000000, -0.0060490800000000, -0.0640881000000000 ] - [ -0.0243898300000000, -0.0059965300000000, -0.0641596800000000 ] - [ 0.0244476400000000, -0.0059453500000000, 0.0645009200000000 ] - [ 0.0244840500000000, -0.0060283200000000, 0.0640272500000000 ] - [ 0.0243170500000000, 0.0062227800000000, 0.0636415600000000 ] - [ 0.0244581100000000, 0.0051505100000000, 0.0637280400000000 ] - [ -0.0236213400000000, 0.0060023600000000, -0.0641696200000000 ] - [ -0.0239082800000000, 0.0059392100000000, -0.0640516300000000 ] - [ -0.0206445100000000, -0.1934123400000000, 0.0708912100000000 ] - [ -0.0208283300000000, -0.1936875400000000, 0.0709588500000000 ] - [ 0.0215504100000000, -0.1949862600000000, -0.0707887400000000 ] - [ 0.0209817700000000, -0.1935820500000000, -0.0708374700000000 ] - [ 0.0213117400000000, 0.1937088600000000, -0.0709556500000000 ] - [ 0.0210687900000000, 0.1934848600000000, -0.0708216900000000 ] - [ -0.0209949400000000, 0.1935794400000000, 0.0706772800000000 ] - [ -0.0210942700000000, 0.1935836700000000, 0.0707916600000000 ] - [ 0.0570096400000000, -0.0154893200000000, -0.0082093300000000 ] - [ 0.0569645000000000, -0.0155728500000000, -0.0081788100000000 ] - [ -0.0567135200000000, -0.0156433900000000, 0.0082192600000000 ] - [ -0.0567604700000000, -0.0154969000000000, 0.0081970000000000 ] - [ -0.0560516700000000, 0.0160774600000000, 0.0075424800000000 ] - [ -0.0565746400000000, 0.0155252800000000, 0.0082367900000000 ] - [ 0.0573814000000000, 0.0157241700000000, -0.0082479300000000 ] - [ 0.0571191000000000, 0.0155946900000000, -0.0079727100000000 ] - [ -0.0093175600000000, 0.2016153000000000, 0.0800193900000000 ] - [ -0.0098924600000000, 0.2019101100000000, 0.0801343400000000 ] - [ -0.0195106400000000, 0.2061853700000000, -0.0995609200000000 ] - [ 0.0093136700000000, 0.2025980400000000, -0.0798516700000000 ] - [ 0.0096009000000000, -0.2019604500000000, -0.0798584200000000 ] - [ 0.0095294300000000, -0.2020426500000000, -0.0797962200000000 ] - [ -0.0095487300000000, -0.2020212200000000, 0.0797164300000000 ] - [ -0.0095269900000000, -0.2020525300000000, 0.0797347400000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0065467000000000, 0.0071243200000000, -0.0166153400000000 ] - [ -0.0065778400000000, 0.0072650500000000, -0.0167237800000000 ] - [ -0.0066689800000000, -0.0072469000000000, -0.0168409800000000 ] - [ -0.0066788800000000, -0.0071547000000000, -0.0168089700000000 ] - [ 0.0065337700000000, -0.0071506900000000, 0.0167333600000000 ] - [ 0.0065863100000000, -0.0073578000000000, 0.0168070500000000 ] - [ 0.0066308100000000, 0.0072549300000000, 0.0168708100000000 ] - [ 0.0066334500000000, 0.0072047500000000, 0.0167274300000000 ] - [ -0.0015863500000000, -0.0003720500000000, -0.0053292900000000 ] - [ -0.0015272400000000, -0.0002259500000000, -0.0054150700000000 ] - [ 0.0012163200000000, -0.0000616900000000, 0.0050198500000000 ] - [ 0.0014238700000000, -0.0001925000000000, 0.0056170400000000 ] - [ 0.0014702400000000, 0.0006379300000000, 0.0054604900000000 ] - [ 0.0016962600000000, 0.0020559200000000, 0.0018245900000000 ] - [ -0.0040168600000000, -0.0000428500000000, -0.0071396500000000 ] - [ -0.0011837700000000, 0.0013004400000000, -0.0053285200000000 ] - [ 0.0117889300000000, -0.0068402000000000, 0.0015066500000000 ] - [ 0.0117418000000000, -0.0066124700000000, 0.0015181100000000 ] - [ -0.0111078000000000, -0.0062213400000000, -0.0017540700000000 ] - [ -0.0117016500000000, -0.0066718900000000, -0.0014219700000000 ] - [ -0.0116729400000000, 0.0069012100000000, -0.0015893600000000 ] - [ -0.0116351200000000, 0.0064283300000000, -0.0015270900000000 ] - [ 0.0117163900000000, 0.0066327900000000, 0.0015703900000000 ] - [ 0.0116667100000000, 0.0067652200000000, 0.0015699900000000 ] - [ 0.0004102500000000, -0.0041324500000000, 0.0091383200000000 ] - [ -0.0000474700000000, -0.0040501900000000, 0.0087413300000000 ] - [ -0.0000348800000000, -0.0040059700000000, -0.0089610500000000 ] - [ 0.0009358900000000, -0.0042986100000000, -0.0082266200000000 ] - [ -0.0002473100000000, 0.0044015300000000, -0.0083501700000000 ] - [ 0.0000420900000000, 0.0040233000000000, -0.0089866700000000 ] - [ -0.0007863400000000, 0.0031564400000000, 0.0096909300000000 ] - [ 0.0000459900000000, 0.0042329700000000, 0.0089188500000000 ] - [ -0.0159122500000000, -0.0334363500000000, -0.0314185400000000 ] - [ -0.0156796700000000, -0.0337766400000000, -0.0314056500000000 ] - [ -0.0206639800000000, -0.0485415000000000, -0.0059532100000000 ] - [ -0.0209535200000000, -0.0492421300000000, -0.0055526700000000 ] - [ -0.0205769700000000, 0.0492462800000000, -0.0058048800000000 ] - [ -0.0207215200000000, 0.0490253100000000, -0.0057556400000000 ] - [ 0.0207290900000000, 0.0490780800000000, 0.0058423800000000 ] - [ 0.0207370700000000, 0.0491953000000000, 0.0057620100000000 ] - [ 0.0418271600000000, -0.0215922400000000, -0.0225307500000000 ] - [ 0.0439555600000000, -0.0188465900000000, -0.0205458500000000 ] - [ -0.0424597500000000, -0.0159435700000000, 0.0201874600000000 ] - [ -0.0468629900000000, -0.0164573200000000, 0.0216290300000000 ] - [ -0.0436523900000000, 0.0191367000000000, 0.0209205100000000 ] - [ -0.0435434900000000, 0.0188275300000000, 0.0209566800000000 ] - [ 0.0436425200000000, 0.0187571000000000, -0.0210013300000000 ] - [ 0.0435297800000000, 0.0192436300000000, -0.0209323600000000 ] - [ 0.0434520900000000, -0.0825009400000000, -0.0298263800000000 ] - [ 0.0438083600000000, -0.0181208000000000, -0.0267478000000000 ] - [ -0.0441782200000000, -0.0172535100000000, 0.0278379700000000 ] - [ -0.0405881900000000, -0.0172682900000000, 0.0241297800000000 ] - [ -0.0436273200000000, 0.0189719400000000, 0.0268808100000000 ] - [ -0.0436283000000000, 0.0187895500000000, 0.0269459500000000 ] - [ 0.0431565500000000, 0.0186261800000000, -0.0269625200000000 ] - [ 0.0435292900000000, 0.0188607900000000, -0.0268856200000000 ] - [ 0.0159898400000000, -0.0335528300000000, 0.0311230900000000 ] - [ 0.0158755800000000, -0.0335676300000000, 0.0313784700000000 ] - [ -0.0157689600000000, 0.0339531900000000, -0.0312651600000000 ] - [ -0.0158736000000000, 0.0339024500000000, -0.0316641900000000 ] - [ 0.0172570900000000, 0.0317600000000000, 0.0332335900000000 ] - [ 0.0156716300000000, 0.0336422500000000, 0.0311974300000000 ] - [ 0.0209795500000000, -0.0499770900000000, 0.0055705000000000 ] - [ 0.0206126100000000, -0.0489768100000000, 0.0058058200000000 ] - [ 0.0792327900000000, 0.0157516700000000, -0.0143345400000000 ] - [ 0.0788684600000000, 0.0154684400000000, -0.0145356500000000 ] - [ 0.1316003500000000, 0.0057393500000000, 0.0080390400000000 ] - [ 0.1316205900000000, 0.0058248600000000, 0.0083746700000000 ] - [ 0.1314300200000000, -0.0067862000000000, 0.0084760100000000 ] - [ 0.1446696300000000, 0.0262115400000000, 0.0207008000000000 ] - [ -0.1434742800000000, 0.0071560200000000, 0.0024840900000000 ] - [ -0.1318102600000000, -0.0064779200000000, -0.0079097500000000 ] - [ -0.1314347000000000, 0.0060066100000000, -0.0087508500000000 ] - [ -0.1315643400000000, 0.0056722800000000, -0.0083007000000000 ] - [ -0.0787540800000000, 0.0159522900000000, 0.0144962800000000 ] - [ -0.0790528100000000, 0.0155961600000000, 0.0143860200000000 ] - [ -0.0759001900000000, -0.0071448500000000, 0.0001453400000000 ] - [ -0.0785378200000000, -0.0163782700000000, 0.0143482200000000 ] - [ 0.0784512300000000, -0.0154515700000000, -0.0143416700000000 ] - [ 0.0784044900000000, -0.0152695400000000, -0.0135150800000000 ] - [ -0.0244446400000000, -0.0058806600000000, -0.0642340100000000 ] - [ -0.0245251100000000, -0.0061307100000000, -0.0641177200000000 ] - [ 0.0244900100000000, -0.0061691200000000, 0.0640438400000000 ] - [ 0.0244554200000000, -0.0060275700000000, 0.0642858700000000 ] - [ 0.0248809600000000, 0.0061130600000000, 0.0643000400000000 ] - [ 0.0251804200000000, 0.0064356200000000, 0.0635169800000000 ] - [ -0.0230988500000000, 0.0062495200000000, -0.0641978100000000 ] - [ -0.0243749400000000, 0.0061988800000000, -0.0639376700000000 ] - [ -0.0212360600000000, -0.1930875800000000, 0.0712627500000000 ] - [ -0.0209746500000000, -0.1938269100000000, 0.0707990700000000 ] - [ 0.0224837400000000, -0.1923550400000000, -0.0702254300000000 ] - [ 0.0217341600000000, -0.1941095100000000, -0.0708006000000000 ] - [ 0.0210329100000000, 0.1933320700000000, -0.0707273500000000 ] - [ 0.0211299500000000, 0.1935808500000000, -0.0708195400000000 ] - [ -0.0211363800000000, 0.1936399500000000, 0.0708178000000000 ] - [ -0.0211855900000000, 0.1935616200000000, 0.0706781700000000 ] - [ 0.0567823100000000, -0.0155764900000000, -0.0082027200000000 ] - [ 0.0567722500000000, -0.0155366100000000, -0.0082027200000000 ] - [ -0.0570865100000000, -0.0154032500000000, 0.0082422900000000 ] - [ -0.0569121800000000, -0.0156140700000000, 0.0081979600000000 ] - [ -0.0573198000000000, 0.0161714400000000, 0.0079094900000000 ] - [ -0.0568463300000000, 0.0155398200000000, 0.0080258800000000 ] - [ 0.0570517200000000, 0.0153874400000000, -0.0082151800000000 ] - [ 0.0567593600000000, 0.0159858900000000, -0.0082084200000000 ] - [ -0.0094507400000000, 0.2015672400000000, 0.0797820300000000 ] - [ -0.0107940600000000, 0.2019854200000000, 0.0803315400000000 ] - [ 0.0047060800000000, 0.2037215600000000, -0.0830615400000000 ] - [ 0.0097465300000000, 0.2016797400000000, -0.0794677800000000 ] - [ 0.0094362500000000, -0.2018743500000000, -0.0791576400000000 ] - [ 0.0096289900000000, -0.2020426300000000, -0.0798773400000000 ] - [ -0.0095775000000000, -0.2020289900000000, 0.0797928000000000 ] - [ -0.0096384500000000, -0.2020664400000000, 0.0798591900000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0066403800000000, 0.0073245800000000, -0.0168926000000000 ] - [ -0.0066092600000000, 0.0071831600000000, -0.0167850300000000 ] - [ -0.0065181800000000, -0.0072080700000000, -0.0166647000000000 ] - [ -0.0065080100000000, -0.0072963200000000, -0.0166972300000000 ] - [ 0.0066544700000000, -0.0072979500000000, 0.0167738700000000 ] - [ 0.0066029400000000, -0.0070909500000000, 0.0167004400000000 ] - [ 0.0065561300000000, 0.0071961900000000, 0.0166354400000000 ] - [ 0.0065537400000000, 0.0072460400000000, 0.0167795100000000 ] - [ -0.0014065100000000, -0.0001776900000000, -0.0054445000000000 ] - [ -0.0014657200000000, -0.0003239300000000, -0.0053584900000000 ] - [ 0.0017783500000000, -0.0004860400000000, 0.0057542900000000 ] - [ 0.0015686100000000, -0.0003570000000000, 0.0051569900000000 ] - [ 0.0015219600000000, -0.0000855300000000, 0.0053130800000000 ] - [ 0.0012908200000000, -0.0015283000000000, 0.0089985200000000 ] - [ 0.0010140700000000, 0.0005770300000000, -0.0036379500000000 ] - [ -0.0018055700000000, -0.0007399500000000, -0.0054427000000000 ] - [ 0.0115389400000000, -0.0065164300000000, 0.0015947700000000 ] - [ 0.0115868900000000, -0.0067453100000000, 0.0015837500000000 ] - [ -0.0122229000000000, -0.0071348800000000, -0.0013477300000000 ] - [ -0.0116275300000000, -0.0066859500000000, -0.0016803500000000 ] - [ -0.0116552500000000, 0.0064595600000000, -0.0015089100000000 ] - [ -0.0116930900000000, 0.0069315500000000, -0.0015740500000000 ] - [ 0.0116124100000000, 0.0067249200000000, 0.0015312800000000 ] - [ 0.0116624200000000, 0.0065917800000000, 0.0015316600000000 ] - [ -0.0004627900000000, -0.0039695100000000, 0.0086614400000000 ] - [ -0.0000062300000000, -0.0040499300000000, 0.0090571500000000 ] - [ 0.0000876300000000, -0.0040964700000000, -0.0088371000000000 ] - [ -0.0008851800000000, -0.0038081600000000, -0.0095718500000000 ] - [ 0.0002997400000000, 0.0036995900000000, -0.0094492900000000 ] - [ 0.0000116700000000, 0.0040756900000000, -0.0088119500000000 ] - [ 0.0007354500000000, 0.0049469100000000, 0.0081063600000000 ] - [ -0.0000989700000000, 0.0038666400000000, 0.0088792000000000 ] - [ -0.0158388300000000, -0.0337580100000000, -0.0313555800000000 ] - [ -0.0160709400000000, -0.0334184300000000, -0.0313680100000000 ] - [ -0.0206876800000000, -0.0497521000000000, -0.0056100000000000 ] - [ -0.0204042000000000, -0.0490523900000000, -0.0059957600000000 ] - [ -0.0207828600000000, 0.0490489300000000, -0.0057465500000000 ] - [ -0.0206368800000000, 0.0492687400000000, -0.0057955900000000 ] - [ 0.0206300500000000, 0.0492159300000000, 0.0057088800000000 ] - [ 0.0206222600000000, 0.0490984900000000, 0.0057889800000000 ] - [ 0.0453489300000000, -0.0162606800000000, -0.0193779200000000 ] - [ 0.0432264000000000, -0.0190095400000000, -0.0213574500000000 ] - [ -0.0447232200000000, -0.0218855400000000, 0.0217015300000000 ] - [ -0.0403035800000000, -0.0214240600000000, 0.0202726700000000 ] - [ -0.0435275100000000, 0.0187209200000000, 0.0209837700000000 ] - [ -0.0436371900000000, 0.0190293200000000, 0.0209473700000000 ] - [ 0.0435370700000000, 0.0191017500000000, -0.0209031400000000 ] - [ 0.0436504200000000, 0.0186147400000000, -0.0209723000000000 ] - [ 0.0445916500000000, 0.0460182200000000, -0.0233543200000000 ] - [ 0.0432731700000000, -0.0195339400000000, -0.0270375200000000 ] - [ -0.0429134400000000, -0.0203989300000000, 0.0259525400000000 ] - [ -0.0464982900000000, -0.0204137200000000, 0.0296375800000000 ] - [ -0.0434553900000000, 0.0186832200000000, 0.0269049200000000 ] - [ -0.0434546400000000, 0.0188636900000000, 0.0268402400000000 ] - [ 0.0439269800000000, 0.0190297700000000, -0.0268233100000000 ] - [ 0.0435530200000000, 0.0187943500000000, -0.0268998300000000 ] - [ 0.0157612400000000, -0.0336415000000000, 0.0316492100000000 ] - [ 0.0158754800000000, -0.0336271100000000, 0.0313954400000000 ] - [ -0.0159795800000000, 0.0332365500000000, -0.0315081400000000 ] - [ -0.0158807100000000, 0.0332934300000000, -0.0311155100000000 ] - [ 0.0144656000000000, 0.0354320700000000, 0.0295547800000000 ] - [ 0.0160776700000000, 0.0335534100000000, 0.0315747900000000 ] - [ 0.0203813300000000, -0.0483177400000000, 0.0059819900000000 ] - [ 0.0207465800000000, -0.0493136500000000, 0.0057434200000000 ] - [ 0.0788741600000000, 0.0157803100000000, -0.0143950900000000 ] - [ 0.0792372600000000, 0.0160642600000000, -0.0141948300000000 ] - [ 0.1315610900000000, 0.0058599900000000, 0.0085951000000000 ] - [ 0.1315405200000000, 0.0057753700000000, 0.0082592500000000 ] - [ 0.1317348900000000, -0.0048124200000000, 0.0081588200000000 ] - [ 0.1178527100000000, -0.0389293300000000, -0.0046092500000000 ] - [ -0.1199047600000000, -0.0187545600000000, -0.0189229900000000 ] - [ -0.1313491700000000, -0.0051224100000000, -0.0087205900000000 ] - [ -0.1317264300000000, 0.0055940300000000, -0.0078796100000000 ] - [ -0.1315968000000000, 0.0059277500000000, -0.0083334000000000 ] - [ -0.0793522800000000, 0.0155808300000000, 0.0142352000000000 ] - [ -0.0790531900000000, 0.0159360300000000, 0.0143444700000000 ] - [ -0.0821342900000000, -0.0244223200000000, 0.0283718800000000 ] - [ -0.0795620600000000, -0.0151527600000000, 0.0143796100000000 ] - [ 0.0796547200000000, -0.0160735100000000, -0.0143872800000000 ] - [ 0.0797061800000000, -0.0162566700000000, -0.0152163700000000 ] - [ -0.0245057900000000, -0.0061666700000000, -0.0640411200000000 ] - [ -0.0244254800000000, -0.0059171800000000, -0.0641577100000000 ] - [ 0.0244609400000000, -0.0058778000000000, 0.0642314900000000 ] - [ 0.0244940600000000, -0.0060191700000000, 0.0639886000000000 ] - [ 0.0240715400000000, 0.0059306100000000, 0.0639800500000000 ] - [ 0.0237640600000000, 0.0056149300000000, 0.0647568300000000 ] - [ -0.0258559900000000, 0.0058000800000000, -0.0640760800000000 ] - [ -0.0245767500000000, 0.0058476800000000, -0.0643359300000000 ] - [ -0.0210041400000000, -0.1940524300000000, 0.0703239900000000 ] - [ -0.0212682500000000, -0.1933193900000000, 0.0707846800000000 ] - [ 0.0197321400000000, -0.1947864300000000, -0.0713538400000000 ] - [ 0.0205048200000000, -0.1930292000000000, -0.0707862500000000 ] - [ 0.0212115400000000, 0.1938171000000000, -0.0708561600000000 ] - [ 0.0211124500000000, 0.1935662700000000, -0.0707637100000000 ] - [ -0.0211055100000000, 0.1935053400000000, 0.0707667400000000 ] - [ -0.0210571000000000, 0.1935845000000000, 0.0709053700000000 ] - [ 0.0569503000000000, -0.0155320200000000, -0.0081866500000000 ] - [ 0.0569599200000000, -0.0155710300000000, -0.0081871500000000 ] - [ -0.0566463300000000, -0.0157042900000000, 0.0081476000000000 ] - [ -0.0568198100000000, -0.0154935500000000, 0.0081909900000000 ] - [ -0.0564114900000000, 0.0149413000000000, 0.0084805200000000 ] - [ -0.0568869100000000, 0.0155676900000000, 0.0083633300000000 ] - [ 0.0566746700000000, 0.0157185600000000, -0.0081715900000000 ] - [ 0.0569754800000000, 0.0151196400000000, -0.0081839500000000 ] - [ -0.0097245600000000, 0.2024896900000000, 0.0798252300000000 ] - [ -0.0083869100000000, 0.2020688200000000, 0.0792813200000000 ] - [ 0.0143581600000000, 0.2003298900000000, -0.0766297700000000 ] - [ 0.0094291500000000, 0.2023754300000000, -0.0801387500000000 ] - [ 0.0097383800000000, -0.2021855800000000, -0.0804463600000000 ] - [ 0.0095472700000000, -0.2020172400000000, -0.0797306700000000 ] - [ -0.0095988500000000, -0.2020299900000000, 0.0798151900000000 ] - [ -0.0095371400000000, -0.2019916200000000, 0.0797483900000000 ]- atom: 49 displacement: [ -0.0000427683518374, 0.0000000000000000, 0.0099999085429858 ] forces: - [ -0.0066278800000000, 0.0072251200000000, -0.0166946700000000 ] - [ -0.0066280200000000, 0.0072084300000000, -0.0167178300000000 ] - [ -0.0063874600000000, -0.0070173200000000, -0.0163379600000000 ] - [ -0.0066979100000000, -0.0071844500000000, -0.0167693300000000 ] - [ 0.0064185400000000, -0.0070312600000000, 0.0166887500000000 ] - [ 0.0065355400000000, -0.0073522800000000, 0.0167705600000000 ] - [ 0.0065913600000000, 0.0072618700000000, 0.0168948900000000 ] - [ 0.0065591700000000, 0.0072465300000000, 0.0168121600000000 ] - [ -0.0015073500000000, -0.0002816200000000, -0.0053256100000000 ] - [ -0.0014430000000000, -0.0002663800000000, -0.0052880300000000 ] - [ 0.0017240000000000, -0.0003139200000000, 0.0059986500000000 ] - [ 0.0015346000000000, -0.0003066200000000, 0.0053815600000000 ] - [ 0.0015074400000000, 0.0006880800000000, 0.0054689000000000 ] - [ 0.0008422200000000, -0.0033614100000000, 0.0077287900000000 ] - [ 0.0022936500000000, -0.0015546600000000, -0.0046813500000000 ] - [ -0.0013601200000000, 0.0004251900000000, -0.0051190700000000 ] - [ 0.0116652300000000, -0.0067288000000000, 0.0016495100000000 ] - [ 0.0115633600000000, -0.0067021800000000, 0.0016804700000000 ] - [ -0.0124657100000000, -0.0067561100000000, -0.0011463800000000 ] - [ -0.0116808500000000, -0.0066662200000000, -0.0014899500000000 ] - [ -0.0116365800000000, 0.0067385400000000, -0.0013736100000000 ] - [ -0.0116697800000000, 0.0065193700000000, -0.0014094100000000 ] - [ 0.0117533000000000, 0.0066072200000000, 0.0014622900000000 ] - [ 0.0115930400000000, 0.0067225500000000, 0.0015032800000000 ] - [ 0.0000718400000000, -0.0037463200000000, 0.0098561300000000 ] - [ -0.0001156700000000, -0.0040577600000000, 0.0088638600000000 ] - [ 0.0000728400000000, -0.0040751100000000, -0.0090263900000000 ] - [ -0.0000348700000000, -0.0038326000000000, -0.0089032200000000 ] - [ 0.0001635600000000, 0.0040561200000000, -0.0086778400000000 ] - [ 0.0001667300000000, 0.0040164200000000, -0.0089304300000000 ] - [ 0.0000262300000000, 0.0050270400000000, 0.0096778800000000 ] - [ 0.0001063200000000, 0.0036755300000000, 0.0089660400000000 ] - [ -0.0157983000000000, -0.0337301100000000, -0.0312998200000000 ] - [ -0.0159286600000000, -0.0335738200000000, -0.0313704200000000 ] - [ -0.0201870900000000, -0.0487848500000000, -0.0067233500000000 ] - [ -0.0206372600000000, -0.0494014000000000, -0.0062640700000000 ] - [ -0.0207967200000000, 0.0491791100000000, -0.0057050800000000 ] - [ -0.0206990900000000, 0.0491319700000000, -0.0057800200000000 ] - [ 0.0206624100000000, 0.0491861400000000, 0.0057917700000000 ] - [ 0.0206282800000000, 0.0491608900000000, 0.0057909900000000 ] - [ 0.0422318900000000, -0.0207455100000000, -0.0211010500000000 ] - [ 0.0443084500000000, -0.0185427100000000, -0.0210013100000000 ] - [ -0.0443977300000000, -0.0227253800000000, 0.0172730800000000 ] - [ -0.0444994900000000, -0.0188188800000000, 0.0213431200000000 ] - [ -0.0435702600000000, 0.0189907300000000, 0.0210486300000000 ] - [ -0.0435846600000000, 0.0187878800000000, 0.0209732300000000 ] - [ 0.0435974900000000, 0.0189950500000000, -0.0209205200000000 ] - [ 0.0436570200000000, 0.0188247600000000, -0.0209484500000000 ] - [ 0.0442115400000000, -0.0224298700000000, -0.1037826800000000 ] - [ 0.0429853400000000, -0.0186836900000000, -0.0265959900000000 ] - [ -0.0432897300000000, -0.0160540000000000, 0.0253402800000000 ] - [ -0.0419978300000000, -0.0197715500000000, 0.0253409100000000 ] - [ -0.0435429800000000, 0.0188161200000000, 0.0269559800000000 ] - [ -0.0434857400000000, 0.0188807600000000, 0.0268595000000000 ] - [ 0.0435866500000000, 0.0188958000000000, -0.0268058100000000 ] - [ 0.0436068200000000, 0.0188207600000000, -0.0268566400000000 ] - [ 0.0159345800000000, -0.0335943700000000, 0.0314825600000000 ] - [ 0.0158421600000000, -0.0335712200000000, 0.0314595700000000 ] - [ -0.0160789400000000, 0.0335434100000000, -0.0312939200000000 ] - [ -0.0157782600000000, 0.0337944000000000, -0.0317995600000000 ] - [ 0.0115283700000000, 0.0354911400000000, 0.0260573600000000 ] - [ 0.0162502200000000, 0.0333944500000000, 0.0311666100000000 ] - [ 0.0208490500000000, -0.0489978100000000, 0.0054897500000000 ] - [ 0.0203784200000000, -0.0490738300000000, 0.0054375300000000 ] - [ 0.0787870700000000, 0.0158486000000000, -0.0144750900000000 ] - [ 0.0790614900000000, 0.0158457700000000, -0.0143296000000000 ] - [ 0.1315694300000000, 0.0057828500000000, 0.0082761000000000 ] - [ 0.1315827500000000, 0.0058180600000000, 0.0083158900000000 ] - [ 0.1317030600000000, -0.0056412700000000, 0.0091430300000000 ] - [ 0.1373417500000000, 0.0078916800000000, 0.0181520100000000 ] - [ -0.1488302900000000, 0.0060520700000000, 0.0124650600000000 ] - [ -0.1320026500000000, -0.0065993400000000, -0.0075802800000000 ] - [ -0.1316510500000000, 0.0056497400000000, -0.0083382900000000 ] - [ -0.1316317700000000, 0.0058672700000000, -0.0083045100000000 ] - [ -0.0792473400000000, 0.0158006600000000, 0.0141230100000000 ] - [ -0.0790767700000000, 0.0158311600000000, 0.0142439300000000 ] - [ -0.0875339100000000, -0.0293131700000000, 0.0466394000000000 ] - [ -0.0788297400000000, -0.0157598900000000, 0.0141008900000000 ] - [ 0.0788201100000000, -0.0168001300000000, -0.0143956900000000 ] - [ 0.0790229900000000, -0.0154558500000000, -0.0142594200000000 ] - [ -0.0244718400000000, -0.0060434600000000, -0.0641423300000000 ] - [ -0.0244594600000000, -0.0059958100000000, -0.0641355700000000 ] - [ 0.0246317300000000, -0.0060660700000000, 0.0640819600000000 ] - [ 0.0244778000000000, -0.0059504400000000, 0.0640712000000000 ] - [ 0.0249709900000000, 0.0068816700000000, 0.0646899600000000 ] - [ 0.0251661600000000, 0.0056688500000000, 0.0647744900000000 ] - [ -0.0233812200000000, 0.0062006000000000, -0.0642842300000000 ] - [ -0.0241753300000000, 0.0057226900000000, -0.0640108400000000 ] - [ -0.0211392400000000, -0.1932116200000000, 0.0709507200000000 ] - [ -0.0207851700000000, -0.1938599900000000, 0.0708028800000000 ] - [ 0.0209360100000000, -0.1920743400000000, -0.0694412800000000 ] - [ 0.0213236800000000, -0.1937502200000000, -0.0707322200000000 ] - [ 0.0212979000000000, 0.1938082800000000, -0.0708519800000000 ] - [ 0.0211343600000000, 0.1936467000000000, -0.0708697700000000 ] - [ -0.0210964800000000, 0.1935522200000000, 0.0707687600000000 ] - [ -0.0211101600000000, 0.1935572400000000, 0.0707622000000000 ] - [ 0.0569472400000000, -0.0155576100000000, -0.0082069500000000 ] - [ 0.0568959200000000, -0.0155784200000000, -0.0082203500000000 ] - [ -0.0567953900000000, -0.0156185800000000, 0.0081238900000000 ] - [ -0.0567898400000000, -0.0155518200000000, 0.0081326600000000 ] - [ -0.0569113900000000, 0.0146865500000000, 0.0098829500000000 ] - [ -0.0565526100000000, 0.0156700000000000, 0.0084973200000000 ] - [ 0.0567287900000000, 0.0152949800000000, -0.0079600800000000 ] - [ 0.0569187500000000, 0.0157647300000000, -0.0082113800000000 ] - [ -0.0095972500000000, 0.2014721200000000, 0.0800982700000000 ] - [ -0.0103263300000000, 0.2020299000000000, 0.0799411600000000 ] - [ 0.0283950000000000, 0.1993170600000000, -0.0651115000000000 ] - [ 0.0097778100000000, 0.2017445600000000, -0.0797825700000000 ] - [ 0.0095882500000000, -0.2020329200000000, -0.0799843700000000 ] - [ 0.0096018100000000, -0.2020888400000000, -0.0799428700000000 ] - [ -0.0096169700000000, -0.2019981300000000, 0.0796840900000000 ] - [ -0.0095883500000000, -0.2020354800000000, 0.0797745500000000 ]- atom: 49 displacement: [ 0.0000427683518374, 0.0000000000000000, -0.0099999085429858 ] forces: - [ -0.0065585700000000, 0.0072189900000000, -0.0168208500000000 ] - [ -0.0065588000000000, 0.0072347400000000, -0.0167977300000000 ] - [ -0.0068051300000000, -0.0074370100000000, -0.0171685400000000 ] - [ -0.0064868900000000, -0.0072638300000000, -0.0167383700000000 ] - [ 0.0067661700000000, -0.0074129300000000, 0.0168201400000000 ] - [ 0.0066499600000000, -0.0070934600000000, 0.0167395900000000 ] - [ 0.0065933400000000, 0.0071878300000000, 0.0166124900000000 ] - [ 0.0066265600000000, 0.0072002900000000, 0.0167023300000000 ] - [ -0.0014832600000000, -0.0002734000000000, -0.0054453700000000 ] - [ -0.0015477900000000, -0.0002888400000000, -0.0054827500000000 ] - [ 0.0012752000000000, -0.0002401600000000, 0.0047745300000000 ] - [ 0.0014567900000000, -0.0002475400000000, 0.0053900000000000 ] - [ 0.0014842100000000, -0.0001326900000000, 0.0053047900000000 ] - [ 0.0021444700000000, 0.0038626400000000, 0.0030797700000000 ] - [ -0.0053183200000000, 0.0021253400000000, -0.0060907500000000 ] - [ -0.0016312000000000, 0.0001341800000000, -0.0056530200000000 ] - [ 0.0116629100000000, -0.0066242100000000, 0.0014510700000000 ] - [ 0.0117656500000000, -0.0066502100000000, 0.0014205700000000 ] - [ -0.0108730600000000, -0.0065947600000000, -0.0019581200000000 ] - [ -0.0116485800000000, -0.0066852700000000, -0.0016114800000000 ] - [ -0.0116930300000000, 0.0066124900000000, -0.0017252000000000 ] - [ -0.0116588100000000, 0.0068378600000000, -0.0016920800000000 ] - [ 0.0115766600000000, 0.0067436200000000, 0.0016353100000000 ] - [ 0.0117363400000000, 0.0066292500000000, 0.0015958200000000 ] - [ -0.0001191900000000, -0.0043586200000000, 0.0079503200000000 ] - [ 0.0000647500000000, -0.0040475500000000, 0.0089367600000000 ] - [ -0.0000213400000000, -0.0040316300000000, -0.0087741800000000 ] - [ 0.0000853900000000, -0.0042753200000000, -0.0088976700000000 ] - [ -0.0001117300000000, 0.0040500200000000, -0.0091224800000000 ] - [ -0.0001157200000000, 0.0040888500000000, -0.0088670800000000 ] - [ -0.0000761500000000, 0.0030750600000000, 0.0081120300000000 ] - [ -0.0001566000000000, 0.0044297500000000, 0.0088307200000000 ] - [ -0.0159543100000000, -0.0334627400000000, -0.0314727000000000 ] - [ -0.0158225100000000, -0.0336198800000000, -0.0314016700000000 ] - [ -0.0211733000000000, -0.0495051800000000, -0.0048264400000000 ] - [ -0.0207207600000000, -0.0488903900000000, -0.0052844300000000 ] - [ -0.0205672500000000, 0.0491154800000000, -0.0058486900000000 ] - [ -0.0206606200000000, 0.0491626800000000, -0.0057733600000000 ] - [ 0.0206966200000000, 0.0491077000000000, 0.0057615400000000 ] - [ 0.0207308700000000, 0.0491328900000000, 0.0057618100000000 ] - [ 0.0449476500000000, -0.0171086700000000, -0.0207934000000000 ] - [ 0.0428668800000000, -0.0193149400000000, -0.0208997700000000 ] - [ -0.0427851700000000, -0.0151306800000000, 0.0246549800000000 ] - [ -0.0426789900000000, -0.0190388800000000, 0.0205559800000000 ] - [ -0.0436057300000000, 0.0188666600000000, 0.0208569600000000 ] - [ -0.0435950200000000, 0.0190707500000000, 0.0209302700000000 ] - [ 0.0435820500000000, 0.0188618100000000, -0.0209831600000000 ] - [ 0.0435228200000000, 0.0190328600000000, -0.0209552800000000 ] - [ 0.0425034800000000, -0.0159744500000000, 0.0504850100000000 ] - [ 0.0441039300000000, -0.0189705200000000, -0.0271904200000000 ] - [ -0.0437940100000000, -0.0215866600000000, 0.0284573400000000 ] - [ -0.0450944900000000, -0.0178802800000000, 0.0284469800000000 ] - [ -0.0435393900000000, 0.0188389600000000, 0.0268304300000000 ] - [ -0.0435973500000000, 0.0187738000000000, 0.0269269800000000 ] - [ 0.0434986300000000, 0.0187593700000000, -0.0269810200000000 ] - [ 0.0434772000000000, 0.0188346900000000, -0.0269298400000000 ] - [ 0.0158155400000000, -0.0335991500000000, 0.0312899000000000 ] - [ 0.0159089500000000, -0.0336216900000000, 0.0313140300000000 ] - [ -0.0156725600000000, 0.0336493200000000, -0.0314755900000000 ] - [ -0.0159763200000000, 0.0334011900000000, -0.0309732500000000 ] - [ 0.0201979100000000, 0.0316765000000000, 0.0367470100000000 ] - [ 0.0154973700000000, 0.0337988600000000, 0.0316069100000000 ] - [ 0.0205128900000000, -0.0493024000000000, 0.0060700400000000 ] - [ 0.0209806700000000, -0.0492189400000000, 0.0061171400000000 ] - [ 0.0793215900000000, 0.0156836300000000, -0.0142514000000000 ] - [ 0.0790449700000000, 0.0156864800000000, -0.0143969600000000 ] - [ 0.1315912700000000, 0.0058165200000000, 0.0083569500000000 ] - [ 0.1315778300000000, 0.0057811500000000, 0.0083159100000000 ] - [ 0.1314540700000000, -0.0059664100000000, 0.0074845200000000 ] - [ 0.1257942200000000, -0.0195681900000000, -0.0014618100000000 ] - [ -0.1147620200000000, -0.0173566400000000, -0.0288734400000000 ] - [ -0.1311551500000000, -0.0049979800000000, -0.0090525300000000 ] - [ -0.1315108500000000, 0.0059505000000000, -0.0082921600000000 ] - [ -0.1315301600000000, 0.0057324100000000, -0.0083267700000000 ] - [ -0.0788611600000000, 0.0157309900000000, 0.0146041000000000 ] - [ -0.0790308800000000, 0.0157027600000000, 0.0144827300000000 ] - [ -0.0701243600000000, -0.0016210600000000, -0.0189421500000000 ] - [ -0.0792760900000000, -0.0157756200000000, 0.0146250500000000 ] - [ 0.0792865200000000, -0.0147232200000000, -0.0143333000000000 ] - [ 0.0790870900000000, -0.0160762700000000, -0.0144710300000000 ] - [ -0.0244784300000000, -0.0060040700000000, -0.0641316300000000 ] - [ -0.0244908800000000, -0.0060526300000000, -0.0641386400000000 ] - [ 0.0243197500000000, -0.0059789300000000, 0.0641963600000000 ] - [ 0.0244725200000000, -0.0060960700000000, 0.0642023300000000 ] - [ 0.0239784800000000, 0.0051591900000000, 0.0635841300000000 ] - [ 0.0237816500000000, 0.0063838100000000, 0.0634970100000000 ] - [ -0.0255745300000000, 0.0058479100000000, -0.0639933700000000 ] - [ -0.0247735400000000, 0.0063261600000000, -0.0642644100000000 ] - [ -0.0210999000000000, -0.1939271700000000, 0.0706343800000000 ] - [ -0.0214531800000000, -0.1932836400000000, 0.0707788100000000 ] - [ 0.0213067100000000, -0.1950612400000000, -0.0721470300000000 ] - [ 0.0209149300000000, -0.1933886500000000, -0.0708504700000000 ] - [ 0.0209459300000000, 0.1933416300000000, -0.0707333100000000 ] - [ 0.0211080200000000, 0.1934967100000000, -0.0707134200000000 ] - [ -0.0211453800000000, 0.1935912500000000, 0.0708143700000000 ] - [ -0.0211316200000000, 0.1935868000000000, 0.0708205200000000 ] - [ 0.0567856500000000, -0.0155512200000000, -0.0081782800000000 ] - [ 0.0568354900000000, -0.0155300800000000, -0.0081661200000000 ] - [ -0.0569332200000000, -0.0154910900000000, 0.0082627100000000 ] - [ -0.0569395600000000, -0.0155561100000000, 0.0082535500000000 ] - [ -0.0568267200000000, 0.0164275000000000, 0.0065012500000000 ] - [ -0.0571767700000000, 0.0154367100000000, 0.0078879100000000 ] - [ 0.0570021900000000, 0.0158118200000000, -0.0084289900000000 ] - [ 0.0568168000000000, 0.0153389000000000, -0.0081748700000000 ] - [ -0.0095779900000000, 0.2025744600000000, 0.0795108700000000 ] - [ -0.0088508300000000, 0.2020228000000000, 0.0796631100000000 ] - [ -0.0087674600000000, 0.2047077300000000, -0.0943312400000000 ] - [ 0.0093987100000000, 0.2023102500000000, -0.0798240200000000 ] - [ 0.0095894200000000, -0.2020263400000000, -0.0796244400000000 ] - [ 0.0095747700000000, -0.2019686900000000, -0.0796647000000000 ] - [ -0.0095602700000000, -0.2020583900000000, 0.0799228200000000 ] - [ -0.0095875500000000, -0.2020199000000000, 0.0798322700000000 ]- atom: 65 displacement: [ 0.0099999992956673, 0.0000000000000000, 0.0000037532191477 ] forces: - [ -0.0067934500000000, 0.0070836900000000, -0.0166754800000000 ] - [ -0.0068123700000000, 0.0072655600000000, -0.0166845200000000 ] - [ -0.0066984200000000, -0.0072348500000000, -0.0167575600000000 ] - [ -0.0066361400000000, -0.0071960600000000, -0.0167521700000000 ] - [ 0.0065368900000000, -0.0072243700000000, 0.0168487300000000 ] - [ 0.0065019800000000, -0.0072551300000000, 0.0168360000000000 ] - [ 0.0063652600000000, 0.0071911200000000, 0.0166015400000000 ] - [ 0.0065839900000000, 0.0072661600000000, 0.0166727700000000 ] - [ -0.0012259200000000, -0.0003114900000000, -0.0052233500000000 ] - [ -0.0011979500000000, -0.0003216000000000, -0.0051280600000000 ] - [ 0.0042698300000000, -0.0004764700000000, 0.0049037300000000 ] - [ 0.0013622300000000, -0.0002100400000000, 0.0052523000000000 ] - [ 0.0015727200000000, 0.0002474100000000, 0.0053987200000000 ] - [ 0.0015491300000000, 0.0003112700000000, 0.0054158000000000 ] - [ -0.0001913200000000, -0.0001777700000000, -0.0034937500000000 ] - [ -0.0014605700000000, 0.0002644000000000, -0.0054112100000000 ] - [ 0.0115966300000000, -0.0068513300000000, 0.0014614000000000 ] - [ 0.0115884600000000, -0.0064699300000000, 0.0014340500000000 ] - [ -0.0119849000000000, -0.0066891800000000, -0.0012492800000000 ] - [ -0.0117632100000000, -0.0066520100000000, -0.0015125300000000 ] - [ -0.0117635400000000, 0.0066873000000000, -0.0015678600000000 ] - [ -0.0117654000000000, 0.0067089000000000, -0.0015679000000000 ] - [ 0.0162561100000000, 0.0080729100000000, -0.0008126700000000 ] - [ 0.0117403600000000, 0.0067568800000000, 0.0016502800000000 ] - [ -0.0004403700000000, -0.0039775800000000, 0.0092356400000000 ] - [ -0.0000771400000000, -0.0040848900000000, 0.0090259200000000 ] - [ -0.0002683400000000, -0.0037852100000000, -0.0086940400000000 ] - [ 0.0003711500000000, -0.0038168100000000, -0.0090683900000000 ] - [ 0.0005423400000000, 0.0039881600000000, -0.0089604500000000 ] - [ 0.0001245000000000, 0.0040509700000000, -0.0088683200000000 ] - [ -0.0001841200000000, 0.0042274300000000, 0.0088579200000000 ] - [ -0.0002163800000000, 0.0039078400000000, 0.0088739500000000 ] - [ 0.0047701500000000, -0.0402628600000000, -0.0216582900000000 ] - [ -0.0151675900000000, -0.0340225700000000, -0.0316776600000000 ] - [ -0.0208027900000000, -0.0491355500000000, -0.0057980400000000 ] - [ -0.0207495800000000, -0.0491031500000000, -0.0058662000000000 ] - [ -0.0213557700000000, 0.0506706700000000, -0.0067422000000000 ] - [ -0.0211705600000000, 0.0492029200000000, -0.0061249200000000 ] - [ 0.0207981700000000, 0.0485612400000000, 0.0051900200000000 ] - [ 0.0210353600000000, 0.0488685500000000, 0.0048507300000000 ] - [ 0.0438293700000000, -0.0187712900000000, -0.0208713500000000 ] - [ 0.0435345000000000, -0.0187515300000000, -0.0209628700000000 ] - [ -0.0436909900000000, -0.0193102500000000, 0.0208031800000000 ] - [ -0.0436197200000000, -0.0189188300000000, 0.0209514500000000 ] - [ -0.0445267500000000, 0.0185665700000000, 0.0204247500000000 ] - [ -0.0440516000000000, 0.0189232700000000, 0.0209054800000000 ] - [ 0.0471901000000000, 0.0253155500000000, -0.0160340200000000 ] - [ 0.0446120600000000, 0.0193926500000000, -0.0211761000000000 ] - [ 0.0437321100000000, -0.0186481200000000, -0.0271592700000000 ] - [ 0.0434800700000000, -0.0190116200000000, -0.0268847300000000 ] - [ -0.0433120300000000, -0.0191257700000000, 0.0267006400000000 ] - [ -0.0433718800000000, -0.0188279200000000, 0.0268703700000000 ] - [ -0.0369374500000000, 0.0219609200000000, 0.0182099000000000 ] - [ -0.0423267100000000, 0.0193386500000000, 0.0271216000000000 ] - [ 0.0427778900000000, 0.0194779600000000, -0.0269279800000000 ] - [ 0.0429460700000000, 0.0194319200000000, -0.0271313600000000 ] - [ 0.0155568800000000, -0.0337172600000000, 0.0314000800000000 ] - [ 0.0154942200000000, -0.0335528200000000, 0.0313267700000000 ] - [ -0.0159194400000000, 0.0334641900000000, -0.0311596800000000 ] - [ -0.0159261800000000, 0.0336310300000000, -0.0313458400000000 ] - [ 0.0152179900000000, 0.0340558000000000, 0.0312793800000000 ] - [ 0.0158356500000000, 0.0336211600000000, 0.0313846900000000 ] - [ 0.0204779000000000, -0.0492508100000000, 0.0057094000000000 ] - [ 0.0206958500000000, -0.0491122500000000, 0.0057433400000000 ] - [ 0.0328590500000000, 0.0119935900000000, -0.0195844400000000 ] - [ 0.0784572200000000, 0.0156603300000000, -0.0143052700000000 ] - [ 0.1329790500000000, 0.0062741800000000, 0.0057065300000000 ] - [ 0.1322483900000000, 0.0052421600000000, 0.0076451700000000 ] - [ 0.1315470100000000, -0.0055099700000000, 0.0086422300000000 ] - [ 0.1315383400000000, -0.0059064400000000, 0.0084026100000000 ] - [ -0.1317806600000000, -0.0057682800000000, -0.0083900300000000 ] - [ -0.1316429700000000, -0.0057812300000000, -0.0083260900000000 ] - [ -0.1320765900000000, 0.0033464000000000, -0.0093141600000000 ] - [ -0.1313829900000000, 0.0072909400000000, -0.0090598400000000 ] - [ -0.0788342900000000, 0.0158093800000000, 0.0142569100000000 ] - [ -0.0788346700000000, 0.0155813800000000, 0.0144938600000000 ] - [ -0.0778779800000000, -0.0161550200000000, 0.0149315000000000 ] - [ -0.0790129300000000, -0.0157500300000000, 0.0143767700000000 ] - [ 0.0783207000000000, -0.0160656500000000, -0.0142507500000000 ] - [ 0.0788983100000000, -0.0155988100000000, -0.0144651200000000 ] - [ -0.0244584500000000, -0.0041738800000000, -0.0638189700000000 ] - [ -0.0245047000000000, -0.0074455600000000, -0.0636015200000000 ] - [ 0.0254695900000000, -0.0061298500000000, 0.0647815700000000 ] - [ 0.0247023200000000, -0.0060200000000000, 0.0641868700000000 ] - [ 0.0245457900000000, 0.0060248400000000, 0.0640810700000000 ] - [ 0.0246166300000000, 0.0059176300000000, 0.0641677600000000 ] - [ -0.0239206000000000, 0.0063708500000000, -0.0637836200000000 ] - [ -0.0245012700000000, 0.0060719700000000, -0.0641272800000000 ] - [ -0.0212995200000000, -0.1933054400000000, 0.0704657600000000 ] - [ -0.0211260000000000, -0.1935529900000000, 0.0707733300000000 ] - [ 0.0212852900000000, -0.1936637000000000, -0.0706152700000000 ] - [ 0.0212069800000000, -0.1936453200000000, -0.0707960100000000 ] - [ 0.0215670000000000, 0.1932176500000000, -0.0709928600000000 ] - [ 0.0213299500000000, 0.1934447500000000, -0.0705831400000000 ] - [ -0.0215794900000000, 0.1937756900000000, 0.0722627400000000 ] - [ -0.0214007100000000, 0.1935585400000000, 0.0709815900000000 ] - [ 0.0594441900000000, -0.0172092100000000, -0.0063477800000000 ] - [ 0.0576394300000000, -0.0150535300000000, -0.0072716400000000 ] - [ -0.0567819300000000, -0.0155174800000000, 0.0083379700000000 ] - [ -0.0567354400000000, -0.0154943600000000, 0.0082268000000000 ] - [ -0.0564110300000000, 0.0154563500000000, 0.0083003200000000 ] - [ -0.0567840300000000, 0.0155180300000000, 0.0082240900000000 ] - [ 0.0570282700000000, 0.0154865000000000, -0.0081746300000000 ] - [ 0.0569320600000000, 0.0155426600000000, -0.0081774200000000 ] - [ -0.0090860600000000, 0.2018071900000000, 0.0787158300000000 ] - [ -0.0096644100000000, 0.2020540400000000, 0.0797761100000000 ] - [ 0.0097703500000000, 0.2020028700000000, -0.0795224300000000 ] - [ 0.0096319500000000, 0.2020991000000000, -0.0797758400000000 ] - [ 0.0100533200000000, -0.2020125800000000, -0.0797617700000000 ] - [ 0.0099488900000000, -0.2017467700000000, -0.0798174400000000 ] - [ -0.0090942200000000, -0.2022684900000000, 0.0819490800000000 ] - [ -0.0097664800000000, -0.2020282000000000, 0.0797843700000000 ]- atom: 65 displacement: [ -0.0099999992956673, 0.0000000000000000, -0.0000037532191477 ] forces: - [ -0.0063948000000000, 0.0073656600000000, -0.0168309500000000 ] - [ -0.0063770600000000, 0.0071813500000000, -0.0168212300000000 ] - [ -0.0064892200000000, -0.0072159700000000, -0.0167493900000000 ] - [ -0.0065507400000000, -0.0072556400000000, -0.0167537300000000 ] - [ 0.0066502600000000, -0.0072257100000000, 0.0166579100000000 ] - [ 0.0066851400000000, -0.0071932000000000, 0.0166711700000000 ] - [ 0.0068208800000000, 0.0072593100000000, 0.0169048300000000 ] - [ 0.0066035500000000, 0.0071842100000000, 0.0168323500000000 ] - [ -0.0017659200000000, -0.0002396000000000, -0.0055510600000000 ] - [ -0.0017933900000000, -0.0002278200000000, -0.0056475500000000 ] - [ -0.0011130200000000, -0.0000825500000000, 0.0058365800000000 ] - [ 0.0016293100000000, -0.0003402700000000, 0.0055206700000000 ] - [ 0.0014182400000000, 0.0003024900000000, 0.0053745500000000 ] - [ 0.0014423600000000, 0.0002390900000000, 0.0053567900000000 ] - [ -0.0028179900000000, 0.0007252100000000, -0.0072638900000000 ] - [ -0.0015314100000000, 0.0002859300000000, -0.0053613000000000 ] - [ 0.0117317000000000, -0.0065068300000000, 0.0016380300000000 ] - [ 0.0117401800000000, -0.0068865400000000, 0.0016649900000000 ] - [ -0.0113436600000000, -0.0066679200000000, -0.0018521300000000 ] - [ -0.0115657000000000, -0.0067050200000000, -0.0015882000000000 ] - [ -0.0115648100000000, 0.0066702300000000, -0.0015345800000000 ] - [ -0.0115630800000000, 0.0066489700000000, -0.0015347600000000 ] - [ 0.0069525300000000, 0.0052333800000000, 0.0040127600000000 ] - [ 0.0115887900000000, 0.0066015900000000, 0.0014533600000000 ] - [ 0.0003877100000000, -0.0041227700000000, 0.0085614900000000 ] - [ 0.0000233200000000, -0.0040154000000000, 0.0087725900000000 ] - [ 0.0003108500000000, -0.0043457800000000, -0.0091191200000000 ] - [ -0.0003185500000000, -0.0042867700000000, -0.0087289600000000 ] - [ -0.0004892500000000, 0.0041117400000000, -0.0088406900000000 ] - [ -0.0000712200000000, 0.0040488500000000, -0.0089314700000000 ] - [ 0.0001307100000000, 0.0038761400000000, 0.0089417600000000 ] - [ 0.0001628900000000, 0.0041925000000000, 0.0089252200000000 ] - [ -0.0371664700000000, -0.0265276700000000, -0.0416117300000000 ] - [ -0.0165794300000000, -0.0331710200000000, -0.0310942300000000 ] - [ -0.0205561500000000, -0.0491588400000000, -0.0057519100000000 ] - [ -0.0206097900000000, -0.0491905900000000, -0.0056844300000000 ] - [ -0.0200081600000000, 0.0476202200000000, -0.0048063200000000 ] - [ -0.0201908200000000, 0.0490897000000000, -0.0054273700000000 ] - [ 0.0205588400000000, 0.0497332000000000, 0.0063633500000000 ] - [ 0.0203216300000000, 0.0494299200000000, 0.0066869900000000 ] - [ 0.0433516200000000, -0.0190872800000000, -0.0210329500000000 ] - [ 0.0436467000000000, -0.0191081300000000, -0.0209409700000000 ] - [ -0.0434894900000000, -0.0185485200000000, 0.0211020400000000 ] - [ -0.0435612300000000, -0.0189389700000000, 0.0209535000000000 ] - [ -0.0426528100000000, 0.0192917400000000, 0.0214794600000000 ] - [ -0.0431295000000000, 0.0189354400000000, 0.0209994800000000 ] - [ 0.0400454800000000, 0.0126545800000000, -0.0258148900000000 ] - [ 0.0425714400000000, 0.0184694700000000, -0.0207312400000000 ] - [ 0.0433520400000000, -0.0190064300000000, -0.0266262500000000 ] - [ 0.0436030000000000, -0.0186427400000000, -0.0269003300000000 ] - [ -0.0437739300000000, -0.0185273900000000, 0.0270857900000000 ] - [ -0.0437108300000000, -0.0188278900000000, 0.0269143200000000 ] - [ -0.0502113800000000, 0.0157374200000000, 0.0355325300000000 ] - [ -0.0447556900000000, 0.0183148600000000, 0.0266643100000000 ] - [ 0.0443078200000000, 0.0181772100000000, -0.0268575000000000 ] - [ 0.0441375900000000, 0.0182270300000000, -0.0266594600000000 ] - [ 0.0161927600000000, -0.0334757600000000, 0.0313760300000000 ] - [ 0.0162548400000000, -0.0336416100000000, 0.0314477300000000 ] - [ -0.0158290700000000, 0.0337319200000000, -0.0316194200000000 ] - [ -0.0158246300000000, 0.0335624100000000, -0.0314290100000000 ] - [ 0.0165315100000000, 0.0331406500000000, 0.0314960500000000 ] - [ 0.0159154500000000, 0.0335730900000000, 0.0313899400000000 ] - [ 0.0208798800000000, -0.0490415000000000, 0.0058411500000000 ] - [ 0.0206640400000000, -0.0491827300000000, 0.0058075600000000 ] - [ 0.1259074100000000, 0.0190945000000000, -0.0087291300000000 ] - [ 0.0796478000000000, 0.0158705500000000, -0.0144230200000000 ] - [ 0.1301760300000000, 0.0053283600000000, 0.0109127100000000 ] - [ 0.1309164800000000, 0.0063547400000000, 0.0089846300000000 ] - [ 0.1316131600000000, -0.0060913100000000, 0.0079906200000000 ] - [ 0.1316221900000000, -0.0056936900000000, 0.0082307500000000 ] - [ -0.1313798300000000, -0.0058321400000000, -0.0082435400000000 ] - [ -0.1315173100000000, -0.0058173700000000, -0.0083071600000000 ] - [ -0.1310823400000000, 0.0082471700000000, -0.0073133000000000 ] - [ -0.1317775400000000, 0.0043116100000000, -0.0075736400000000 ] - [ -0.0792718600000000, 0.0157224700000000, 0.0144759600000000 ] - [ -0.0792719400000000, 0.0159499100000000, 0.0142378000000000 ] - [ -0.0802267400000000, -0.0153787400000000, 0.0138002200000000 ] - [ -0.0790940000000000, -0.0157822100000000, 0.0143527100000000 ] - [ 0.0797922600000000, -0.0154594000000000, -0.0144762500000000 ] - [ 0.0792087500000000, -0.0159330200000000, -0.0142639100000000 ] - [ -0.0244914200000000, -0.0078919800000000, -0.0644562600000000 ] - [ -0.0244351900000000, -0.0046080500000000, -0.0646630600000000 ] - [ 0.0234778700000000, -0.0059179100000000, 0.0634905900000000 ] - [ 0.0242488100000000, -0.0060268100000000, 0.0640882200000000 ] - [ 0.0244046100000000, 0.0060228100000000, 0.0641937400000000 ] - [ 0.0243337400000000, 0.0061292800000000, 0.0641074900000000 ] - [ -0.0250294200000000, 0.0056777700000000, -0.0644877700000000 ] - [ -0.0244497000000000, 0.0059755600000000, -0.0641467700000000 ] - [ -0.0209369500000000, -0.1938416900000000, 0.0711194900000000 ] - [ -0.0211178700000000, -0.1935958300000000, 0.0708124900000000 ] - [ 0.0209569300000000, -0.1934829800000000, -0.0709687300000000 ] - [ 0.0210353800000000, -0.1935002600000000, -0.0707890000000000 ] - [ 0.0206759000000000, 0.1939315800000000, -0.0705891900000000 ] - [ 0.0209104900000000, 0.1937008100000000, -0.0710006500000000 ] - [ -0.0206526200000000, 0.1933696600000000, 0.0693176700000000 ] - [ -0.0208437900000000, 0.1935866000000000, 0.0706018900000000 ] - [ 0.0542577000000000, -0.0138941600000000, -0.0100521500000000 ] - [ 0.0560873700000000, -0.0160670500000000, -0.0091167100000000 ] - [ -0.0569458200000000, -0.0155904400000000, 0.0080527900000000 ] - [ -0.0569932000000000, -0.0156145700000000, 0.0081640500000000 ] - [ -0.0573222800000000, 0.0156520200000000, 0.0080890000000000 ] - [ -0.0569483500000000, 0.0155896900000000, 0.0081651200000000 ] - [ 0.0567018000000000, 0.0156218800000000, -0.0082138100000000 ] - [ 0.0567995200000000, 0.0155648800000000, -0.0082127100000000 ] - [ -0.0100944200000000, 0.2022548600000000, 0.0809055300000000 ] - [ -0.0095123700000000, 0.2020063700000000, 0.0798338000000000 ] - [ 0.0094063400000000, 0.2020568900000000, -0.0800838900000000 ] - [ 0.0095437100000000, 0.2019611500000000, -0.0798333100000000 ] - [ 0.0091221300000000, -0.2020459500000000, -0.0798480300000000 ] - [ 0.0092265000000000, -0.2023139600000000, -0.0797899200000000 ] - [ -0.0100803400000000, -0.2017908600000000, 0.0776625300000000 ] - [ -0.0094114200000000, -0.2020314200000000, 0.0798238000000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0068576200000000, 0.0072612700000000, -0.0167831100000000 ] - [ -0.0064235900000000, 0.0073052100000000, -0.0167907100000000 ] - [ -0.0066431700000000, -0.0072029200000000, -0.0167335700000000 ] - [ -0.0066117500000000, -0.0072698500000000, -0.0167500600000000 ] - [ 0.0066425200000000, -0.0071499600000000, 0.0166495000000000 ] - [ 0.0065268000000000, -0.0072974300000000, 0.0169162100000000 ] - [ 0.0067290800000000, 0.0076165000000000, 0.0167387200000000 ] - [ 0.0065721200000000, 0.0071270300000000, 0.0168022900000000 ] - [ -0.0014070900000000, -0.0003969500000000, -0.0055631700000000 ] - [ -0.0014715900000000, -0.0003483300000000, -0.0050890300000000 ] - [ 0.0016032600000000, -0.0002124100000000, 0.0052361800000000 ] - [ 0.0015081900000000, -0.0006905700000000, 0.0053737300000000 ] - [ 0.0014661600000000, 0.0003164800000000, 0.0053457800000000 ] - [ 0.0015237800000000, 0.0002641500000000, 0.0053959800000000 ] - [ -0.0020429400000000, 0.0006391300000000, -0.0067221900000000 ] - [ -0.0015031200000000, 0.0002074100000000, -0.0054030500000000 ] - [ 0.0115498800000000, -0.0068751700000000, 0.0014194800000000 ] - [ 0.0116996400000000, -0.0069689800000000, 0.0016758100000000 ] - [ -0.0116843100000000, -0.0066376200000000, -0.0016075300000000 ] - [ -0.0116436300000000, -0.0067081900000000, -0.0015911700000000 ] - [ -0.0116426800000000, 0.0067313400000000, -0.0015116400000000 ] - [ -0.0116895800000000, 0.0066387000000000, -0.0015504600000000 ] - [ 0.0130573100000000, 0.0066653700000000, 0.0007230800000000 ] - [ 0.0116579100000000, 0.0064535600000000, 0.0014273000000000 ] - [ -0.0000160900000000, -0.0040583400000000, 0.0088975300000000 ] - [ -0.0000026000000000, -0.0040713000000000, 0.0089072900000000 ] - [ 0.0009107200000000, 0.0021191200000000, -0.0057265300000000 ] - [ 0.0000774500000000, -0.0045230600000000, -0.0086503500000000 ] - [ -0.0000349100000000, 0.0043020400000000, -0.0088895700000000 ] - [ 0.0000370900000000, 0.0039956100000000, -0.0088669800000000 ] - [ 0.0001332200000000, 0.0040085900000000, 0.0089756500000000 ] - [ -0.0002283500000000, 0.0039965700000000, 0.0088029400000000 ] - [ -0.0246389400000000, -0.0262923400000000, -0.0372133600000000 ] - [ -0.0148695200000000, -0.0344782900000000, -0.0316092700000000 ] - [ -0.0206368100000000, -0.0489860600000000, -0.0057465900000000 ] - [ -0.0206943700000000, -0.0492210600000000, -0.0057894300000000 ] - [ -0.0207242100000000, 0.0493543800000000, -0.0059187200000000 ] - [ -0.0204504700000000, 0.0491633700000000, -0.0055055400000000 ] - [ 0.0201015000000000, 0.0494283100000000, 0.0054895200000000 ] - [ 0.0207946600000000, 0.0492519100000000, 0.0067902700000000 ] - [ 0.0437315100000000, -0.0187550000000000, -0.0208228800000000 ] - [ 0.0436082900000000, -0.0190236000000000, -0.0210538700000000 ] - [ -0.0437821000000000, -0.0186003200000000, 0.0209293900000000 ] - [ -0.0435457500000000, -0.0190937600000000, 0.0209509000000000 ] - [ -0.0435042400000000, 0.0189790600000000, 0.0209174100000000 ] - [ -0.0437419800000000, 0.0189997900000000, 0.0208084700000000 ] - [ 0.0489690600000000, 0.0518149400000000, -0.0009877600000000 ] - [ 0.0431679200000000, 0.0181540800000000, -0.0204910700000000 ] - [ 0.0435066500000000, -0.0188416200000000, -0.0268106500000000 ] - [ 0.0434981300000000, -0.0191252800000000, -0.0268125400000000 ] - [ -0.0433808200000000, -0.0186428000000000, 0.0268580100000000 ] - [ -0.0434773300000000, -0.0189977900000000, 0.0268277100000000 ] - [ -0.0389958500000000, 0.0274499200000000, 0.0129661100000000 ] - [ -0.0446276400000000, 0.0182116300000000, 0.0268951400000000 ] - [ 0.0439699100000000, 0.0193199600000000, -0.0272017400000000 ] - [ 0.0422748700000000, 0.0191416900000000, -0.0258599900000000 ] - [ 0.0157684900000000, -0.0335732700000000, 0.0313445500000000 ] - [ 0.0159475300000000, -0.0336955400000000, 0.0316025400000000 ] - [ -0.0159228800000000, 0.0340221500000000, -0.0312438600000000 ] - [ -0.0159553000000000, 0.0334780200000000, -0.0313603700000000 ] - [ 0.0160251400000000, 0.0334072000000000, 0.0314667100000000 ] - [ 0.0158653400000000, 0.0336440700000000, 0.0314217600000000 ] - [ 0.0205014600000000, -0.0492430600000000, 0.0057419200000000 ] - [ 0.0207173600000000, -0.0492336100000000, 0.0056600300000000 ] - [ 0.0756620700000000, -0.0495017000000000, -0.0145200600000000 ] - [ 0.0789487200000000, 0.0157725500000000, -0.0143842900000000 ] - [ 0.1316242800000000, 0.0051463200000000, 0.0088298600000000 ] - [ 0.1320133400000000, 0.0067054400000000, 0.0078920900000000 ] - [ 0.1320512300000000, -0.0055961400000000, 0.0084938300000000 ] - [ 0.1315124600000000, -0.0057083300000000, 0.0082702300000000 ] - [ -0.1316273200000000, -0.0058855100000000, -0.0083299000000000 ] - [ -0.1316057100000000, -0.0057009400000000, -0.0083208700000000 ] - [ -0.1315025800000000, 0.0081642800000000, -0.0068901400000000 ] - [ -0.1285746400000000, 0.0079059300000000, -0.0108092200000000 ] - [ -0.0788684300000000, 0.0158555200000000, 0.0144513600000000 ] - [ -0.0790976500000000, 0.0158557900000000, 0.0141730100000000 ] - [ -0.0794402200000000, -0.0157438800000000, 0.0141566900000000 ] - [ -0.0790374500000000, -0.0156604700000000, 0.0143638200000000 ] - [ 0.0793550800000000, -0.0157609200000000, -0.0144464100000000 ] - [ 0.0788863500000000, -0.0154257900000000, -0.0144982700000000 ] - [ -0.0230183400000000, -0.0038577300000000, -0.0635594000000000 ] - [ -0.0261520600000000, -0.0040252900000000, -0.0658915800000000 ] - [ 0.0245550200000000, -0.0055873700000000, 0.0642185900000000 ] - [ 0.0244513200000000, -0.0059857600000000, 0.0641600400000000 ] - [ 0.0244636900000000, 0.0059360300000000, 0.0641599400000000 ] - [ 0.0245670400000000, 0.0061038700000000, 0.0640810000000000 ] - [ -0.0240840800000000, 0.0054152300000000, -0.0636572300000000 ] - [ -0.0244227800000000, 0.0060444400000000, -0.0641441100000000 ] - [ -0.0209425500000000, -0.1932533900000000, 0.0701628800000000 ] - [ -0.0212527400000000, -0.1934989100000000, 0.0707723100000000 ] - [ 0.0211816200000000, -0.1937098900000000, -0.0708613900000000 ] - [ 0.0211333600000000, -0.1935182900000000, -0.0707442500000000 ] - [ 0.0211299900000000, 0.1934539500000000, -0.0707263500000000 ] - [ 0.0209451200000000, 0.1936643000000000, -0.0707856500000000 ] - [ -0.0203235500000000, 0.1944476600000000, 0.0726821800000000 ] - [ -0.0211240000000000, 0.1937249100000000, 0.0707200600000000 ] - [ 0.0570606900000000, -0.0161827800000000, -0.0078842500000000 ] - [ 0.0561019500000000, -0.0143742300000000, -0.0085720200000000 ] - [ -0.0569354400000000, -0.0155679800000000, 0.0080933700000000 ] - [ -0.0569277200000000, -0.0153975900000000, 0.0083583800000000 ] - [ -0.0568210900000000, 0.0154810100000000, 0.0082980600000000 ] - [ -0.0569099100000000, 0.0156189000000000, 0.0082309800000000 ] - [ 0.0566370000000000, 0.0155710100000000, -0.0081080700000000 ] - [ 0.0569413200000000, 0.0156086100000000, -0.0082653800000000 ] - [ -0.0100174600000000, 0.2014431500000000, 0.0802043300000000 ] - [ -0.0095469600000000, 0.2017303600000000, 0.0797979400000000 ] - [ 0.0095885900000000, 0.2020409100000000, -0.0798237200000000 ] - [ 0.0096236400000000, 0.2021139000000000, -0.0797892500000000 ] - [ 0.0093551400000000, -0.2019606200000000, -0.0797819100000000 ] - [ 0.0100477400000000, -0.2020767000000000, -0.0799502300000000 ] - [ -0.0113848500000000, -0.2011558700000000, 0.0771491600000000 ] - [ -0.0095109600000000, -0.2019220500000000, 0.0797227000000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0063304000000000, 0.0071868000000000, -0.0167214000000000 ] - [ -0.0067650200000000, 0.0071420600000000, -0.0167158900000000 ] - [ -0.0065444000000000, -0.0072482700000000, -0.0167721900000000 ] - [ -0.0065752000000000, -0.0071814400000000, -0.0167555400000000 ] - [ 0.0065445500000000, -0.0072989600000000, 0.0168572100000000 ] - [ 0.0066603500000000, -0.0071515700000000, 0.0165895900000000 ] - [ 0.0064567800000000, 0.0068346500000000, 0.0167651100000000 ] - [ 0.0066151000000000, 0.0073234400000000, 0.0167027500000000 ] - [ -0.0015839500000000, -0.0001543800000000, -0.0052106300000000 ] - [ -0.0015192500000000, -0.0002020700000000, -0.0056844700000000 ] - [ 0.0013705700000000, -0.0003435500000000, 0.0055413700000000 ] - [ 0.0014839600000000, 0.0001401800000000, 0.0053990400000000 ] - [ 0.0015259800000000, 0.0002336600000000, 0.0054269800000000 ] - [ 0.0014681400000000, 0.0002860000000000, 0.0053766500000000 ] - [ -0.0009565000000000, -0.0000839400000000, -0.0040691000000000 ] - [ -0.0014888900000000, 0.0003435400000000, -0.0053689200000000 ] - [ 0.0117773700000000, -0.0064839200000000, 0.0016794500000000 ] - [ 0.0116275100000000, -0.0063869500000000, 0.0014230200000000 ] - [ -0.0116448200000000, -0.0067191700000000, -0.0014936200000000 ] - [ -0.0116849200000000, -0.0066486300000000, -0.0015096800000000 ] - [ -0.0116854900000000, 0.0066260600000000, -0.0015905500000000 ] - [ -0.0116387600000000, 0.0067189100000000, -0.0015520500000000 ] - [ 0.0102799000000000, 0.0067046400000000, 0.0023774800000000 ] - [ 0.0116704300000000, 0.0069042400000000, 0.0016755100000000 ] - [ -0.0000365200000000, -0.0040422900000000, 0.0088996700000000 ] - [ -0.0000505100000000, -0.0040288500000000, 0.0088906500000000 ] - [ -0.0008328500000000, -0.0100086100000000, -0.0119476700000000 ] - [ -0.0000240700000000, -0.0035764800000000, -0.0091457700000000 ] - [ 0.0000886500000000, 0.0037979600000000, -0.0089108800000000 ] - [ 0.0000162300000000, 0.0041049500000000, -0.0089325800000000 ] - [ -0.0001866900000000, 0.0040937100000000, 0.0088241600000000 ] - [ 0.0001770000000000, 0.0041056800000000, 0.0089966400000000 ] - [ -0.0072535000000000, -0.0409438600000000, -0.0256450700000000 ] - [ -0.0168808800000000, -0.0327243700000000, -0.0311658400000000 ] - [ -0.0207234500000000, -0.0493078200000000, -0.0058041600000000 ] - [ -0.0206648900000000, -0.0490727400000000, -0.0057608900000000 ] - [ -0.0206355900000000, 0.0489381400000000, -0.0056326900000000 ] - [ -0.0209102100000000, 0.0491298700000000, -0.0060448100000000 ] - [ 0.0212537200000000, 0.0488659200000000, 0.0060639900000000 ] - [ 0.0205624500000000, 0.0490438000000000, 0.0047583300000000 ] - [ 0.0434483700000000, -0.0191038900000000, -0.0210826700000000 ] - [ 0.0435699600000000, -0.0188315400000000, -0.0208532500000000 ] - [ -0.0433973400000000, -0.0192589600000000, 0.0209759200000000 ] - [ -0.0436352100000000, -0.0187631500000000, 0.0209545600000000 ] - [ -0.0436743200000000, 0.0188787800000000, 0.0209896100000000 ] - [ -0.0434378300000000, 0.0188572100000000, 0.0210975300000000 ] - [ 0.0379500000000000, -0.0150778600000000, -0.0417896500000000 ] - [ 0.0440031800000000, 0.0197052700000000, -0.0214140700000000 ] - [ 0.0435767900000000, -0.0188132800000000, -0.0269750800000000 ] - [ 0.0435853000000000, -0.0185295500000000, -0.0269717800000000 ] - [ -0.0437016500000000, -0.0190133200000000, 0.0269264100000000 ] - [ -0.0436058700000000, -0.0186576100000000, 0.0269561000000000 ] - [ -0.0480183700000000, 0.0101714300000000, 0.0406134700000000 ] - [ -0.0424586000000000, 0.0194373400000000, 0.0268888600000000 ] - [ 0.0431166800000000, 0.0183333600000000, -0.0265848300000000 ] - [ 0.0448157100000000, 0.0185198300000000, -0.0279268800000000 ] - [ 0.0159813300000000, -0.0336202800000000, 0.0314296400000000 ] - [ 0.0158032700000000, -0.0334979600000000, 0.0311742600000000 ] - [ -0.0158301500000000, 0.0331691600000000, -0.0315264300000000 ] - [ -0.0157955900000000, 0.0337163400000000, -0.0314157800000000 ] - [ 0.0157254900000000, 0.0337889000000000, 0.0313077100000000 ] - [ 0.0158861700000000, 0.0335499100000000, 0.0313526800000000 ] - [ 0.0208590900000000, -0.0490538400000000, 0.0058090300000000 ] - [ 0.0206434000000000, -0.0490587800000000, 0.0058914300000000 ] - [ 0.0827688600000000, 0.0820078400000000, -0.0131466300000000 ] - [ 0.0791589600000000, 0.0157566200000000, -0.0143482600000000 ] - [ 0.1315322600000000, 0.0064553300000000, 0.0078025800000000 ] - [ 0.1311463000000000, 0.0048970400000000, 0.0087353900000000 ] - [ 0.1311098800000000, -0.0060036500000000, 0.0081403600000000 ] - [ 0.1316484200000000, -0.0058927600000000, 0.0083638800000000 ] - [ -0.1315344600000000, -0.0057145000000000, -0.0083043400000000 ] - [ -0.1315541100000000, -0.0058991400000000, -0.0083123100000000 ] - [ -0.1316492300000000, 0.0034208200000000, -0.0097492500000000 ] - [ -0.1345641600000000, 0.0037047700000000, -0.0058302800000000 ] - [ -0.0792365200000000, 0.0156762400000000, 0.0142805600000000 ] - [ -0.0790109200000000, 0.0156765300000000, 0.0145580300000000 ] - [ -0.0786641000000000, -0.0157866100000000, 0.0145752300000000 ] - [ -0.0790695500000000, -0.0158717600000000, 0.0143651400000000 ] - [ 0.0787489600000000, -0.0157708000000000, -0.0142835500000000 ] - [ 0.0792207400000000, -0.0161055300000000, -0.0142292300000000 ] - [ -0.0259496500000000, -0.0082007600000000, -0.0647119200000000 ] - [ -0.0228123400000000, -0.0080081600000000, -0.0623859800000000 ] - [ 0.0243927200000000, -0.0064612500000000, 0.0640537300000000 ] - [ 0.0244987600000000, -0.0060612500000000, 0.0641156300000000 ] - [ 0.0244868300000000, 0.0061124500000000, 0.0641149700000000 ] - [ 0.0243829400000000, 0.0059428700000000, 0.0641942400000000 ] - [ -0.0248665700000000, 0.0066396700000000, -0.0646127900000000 ] - [ -0.0245294200000000, 0.0060013300000000, -0.0641285600000000 ] - [ -0.0213049800000000, -0.1938974100000000, 0.0714256700000000 ] - [ -0.0209897700000000, -0.1936436900000000, 0.0708132200000000 ] - [ 0.0210611200000000, -0.1934356200000000, -0.0707233400000000 ] - [ 0.0211092800000000, -0.1936268400000000, -0.0708402200000000 ] - [ 0.0211117400000000, 0.1936927100000000, -0.0708536200000000 ] - [ 0.0212966500000000, 0.1934825200000000, -0.0707985000000000 ] - [ -0.0219141400000000, 0.1927056900000000, 0.0689050500000000 ] - [ -0.0211170700000000, 0.1934225200000000, 0.0708669000000000 ] - [ 0.0566704200000000, -0.0149227600000000, -0.0085121500000000 ] - [ 0.0576334100000000, -0.0167302600000000, -0.0078171800000000 ] - [ -0.0567922100000000, -0.0155395600000000, 0.0082958600000000 ] - [ -0.0568039100000000, -0.0157097700000000, 0.0080318700000000 ] - [ -0.0569096300000000, 0.0156267700000000, 0.0080920900000000 ] - [ -0.0568223900000000, 0.0154885500000000, 0.0081586100000000 ] - [ 0.0570960400000000, 0.0155350400000000, -0.0082807200000000 ] - [ 0.0567892400000000, 0.0154986000000000, -0.0081234300000000 ] - [ -0.0091499700000000, 0.2026156300000000, 0.0793889400000000 ] - [ -0.0096284100000000, 0.2023276000000000, 0.0798119300000000 ] - [ 0.0095871200000000, 0.2020177500000000, -0.0797836800000000 ] - [ 0.0095516400000000, 0.2019451600000000, -0.0798190000000000 ] - [ 0.0098199600000000, -0.2021000200000000, -0.0798260900000000 ] - [ 0.0091315800000000, -0.2019852900000000, -0.0796575700000000 ] - [ -0.0077879700000000, -0.2029077600000000, 0.0824623800000000 ] - [ -0.0096641100000000, -0.2021387300000000, 0.0798864300000000 ]- atom: 65 displacement: [ -0.0000427683518374, 0.0000000000000000, 0.0099999085429858 ] forces: - [ -0.0065700100000000, 0.0071408100000000, -0.0167315800000000 ] - [ -0.0065634400000000, 0.0072473300000000, -0.0167252200000000 ] - [ -0.0066373200000000, -0.0072606900000000, -0.0168549000000000 ] - [ -0.0065850900000000, -0.0072551900000000, -0.0167989400000000 ] - [ 0.0066605800000000, -0.0073187400000000, 0.0167892900000000 ] - [ 0.0066042300000000, -0.0072236700000000, 0.0167836500000000 ] - [ 0.0059223800000000, 0.0070675200000000, 0.0167309100000000 ] - [ 0.0066146200000000, 0.0072060700000000, 0.0167553500000000 ] - [ -0.0012519200000000, -0.0005598000000000, -0.0054667900000000 ] - [ -0.0012750600000000, 0.0001156400000000, -0.0055510000000000 ] - [ -0.0000118600000000, -0.0003244300000000, 0.0058735300000000 ] - [ 0.0015024600000000, -0.0002876200000000, 0.0053670800000000 ] - [ 0.0015064400000000, 0.0002963900000000, 0.0053153700000000 ] - [ 0.0015221300000000, 0.0002792700000000, 0.0053376300000000 ] - [ 0.0009457300000000, -0.0012695200000000, 0.0003827500000000 ] - [ -0.0014730400000000, 0.0002607300000000, -0.0053522400000000 ] - [ 0.0114400400000000, -0.0070391100000000, 0.0012198300000000 ] - [ 0.0114901400000000, -0.0060999800000000, 0.0011491500000000 ] - [ -0.0117669500000000, -0.0066836700000000, -0.0014237800000000 ] - [ -0.0116452500000000, -0.0066672600000000, -0.0015023500000000 ] - [ -0.0116466800000000, 0.0067256200000000, -0.0016832800000000 ] - [ -0.0116537900000000, 0.0066963900000000, -0.0016260800000000 ] - [ 0.0097843100000000, 0.0060805600000000, 0.0022638500000000 ] - [ 0.0116427500000000, 0.0067132000000000, 0.0015616800000000 ] - [ 0.0001086400000000, -0.0041715100000000, 0.0085314700000000 ] - [ -0.0000535700000000, -0.0040211800000000, 0.0088453800000000 ] - [ 0.0003780800000000, -0.0014888700000000, -0.0081713100000000 ] - [ -0.0000484000000000, -0.0032635300000000, -0.0089219400000000 ] - [ 0.0003881900000000, 0.0040199900000000, -0.0094132200000000 ] - [ 0.0000494500000000, 0.0040105100000000, -0.0089505000000000 ] - [ -0.0000505900000000, 0.0041555900000000, 0.0090032800000000 ] - [ -0.0000810700000000, 0.0039643800000000, 0.0089827900000000 ] - [ -0.0042075200000000, -0.0393773100000000, -0.0205023400000000 ] - [ -0.0160620500000000, -0.0335889200000000, -0.0313650600000000 ] - [ -0.0206531100000000, -0.0491690200000000, -0.0057634700000000 ] - [ -0.0206909300000000, -0.0491505800000000, -0.0058534500000000 ] - [ -0.0207152400000000, 0.0490763500000000, -0.0057270000000000 ] - [ -0.0205753200000000, 0.0489592000000000, -0.0055505100000000 ] - [ 0.0196408000000000, 0.0486030400000000, 0.0065040500000000 ] - [ 0.0207276200000000, 0.0493804500000000, 0.0059987700000000 ] - [ 0.0436571300000000, -0.0189585200000000, -0.0210213600000000 ] - [ 0.0435763600000000, -0.0187448800000000, -0.0208618200000000 ] - [ -0.0436569700000000, -0.0190400200000000, 0.0208960600000000 ] - [ -0.0436287700000000, -0.0188690300000000, 0.0209680400000000 ] - [ -0.0430186800000000, 0.0195984900000000, 0.0214059800000000 ] - [ -0.0437229300000000, 0.0188514500000000, 0.0209810700000000 ] - [ 0.0481426500000000, 0.0399546800000000, -0.0044948500000000 ] - [ 0.0433627600000000, 0.0189515400000000, -0.0210514700000000 ] - [ 0.0436256800000000, -0.0187980100000000, -0.0270029400000000 ] - [ 0.0435289500000000, -0.0189991900000000, -0.0268580400000000 ] - [ -0.0437411300000000, -0.0189565900000000, 0.0266514400000000 ] - [ -0.0435547200000000, -0.0188489600000000, 0.0267726400000000 ] - [ -0.0538667800000000, 0.0050042500000000, 0.0591649900000000 ] - [ -0.0434863700000000, 0.0188083900000000, 0.0266261800000000 ] - [ 0.0437377500000000, 0.0179743200000000, -0.0267871800000000 ] - [ 0.0432317600000000, 0.0187993400000000, -0.0269293700000000 ] - [ 0.0158205800000000, -0.0336716200000000, 0.0314343100000000 ] - [ 0.0157176400000000, -0.0335462800000000, 0.0313256400000000 ] - [ -0.0157697100000000, 0.0339561900000000, -0.0318743400000000 ] - [ -0.0159069000000000, 0.0335215600000000, -0.0315261300000000 ] - [ 0.0157189900000000, 0.0338701100000000, 0.0312718400000000 ] - [ 0.0159095700000000, 0.0335648900000000, 0.0313839500000000 ] - [ 0.0206855800000000, -0.0494960400000000, 0.0056975000000000 ] - [ 0.0206202500000000, -0.0491881800000000, 0.0057796600000000 ] - [ 0.0737373800000000, 0.0149742100000000, -0.0886459800000000 ] - [ 0.0791155900000000, 0.0157487300000000, -0.0146040200000000 ] - [ 0.1297611400000000, 0.0053486300000000, 0.0094165500000000 ] - [ 0.1316245400000000, 0.0059637500000000, 0.0083423500000000 ] - [ 0.1316646300000000, -0.0055888900000000, 0.0084800900000000 ] - [ 0.1315990300000000, -0.0058934400000000, 0.0083504100000000 ] - [ -0.1315673400000000, -0.0057834800000000, -0.0080993300000000 ] - [ -0.1316420300000000, -0.0057863600000000, -0.0082393000000000 ] - [ -0.1316548300000000, 0.0062535300000000, -0.0089658200000000 ] - [ -0.1315166200000000, 0.0053862700000000, -0.0090192100000000 ] - [ -0.0789266500000000, 0.0159580900000000, 0.0142889000000000 ] - [ -0.0791634400000000, 0.0156819100000000, 0.0142867300000000 ] - [ -0.0784887400000000, -0.0159752700000000, 0.0144535700000000 ] - [ -0.0790418900000000, -0.0157666500000000, 0.0143210900000000 ] - [ 0.0791701900000000, -0.0156833500000000, -0.0137597900000000 ] - [ 0.0789541500000000, -0.0156330500000000, -0.0142893300000000 ] - [ -0.0242731900000000, -0.0068817200000000, -0.0653181000000000 ] - [ -0.0247338100000000, -0.0056647600000000, -0.0652667000000000 ] - [ 0.0238443800000000, -0.0059464900000000, 0.0642361500000000 ] - [ 0.0244758100000000, -0.0060910000000000, 0.0641824900000000 ] - [ 0.0245143700000000, 0.0060764100000000, 0.0640850200000000 ] - [ 0.0245422400000000, 0.0059475400000000, 0.0641635400000000 ] - [ -0.0244402300000000, 0.0059202200000000, -0.0630998800000000 ] - [ -0.0244644100000000, 0.0058791300000000, -0.0639638000000000 ] - [ -0.0215896400000000, -0.1941000000000000, 0.0705456800000000 ] - [ -0.0210925500000000, -0.1939715400000000, 0.0709584700000000 ] - [ 0.0211136300000000, -0.1935742100000000, -0.0707559000000000 ] - [ 0.0211339600000000, -0.1936126300000000, -0.0707688500000000 ] - [ 0.0211946600000000, 0.1934602500000000, -0.0707708400000000 ] - [ 0.0210190500000000, 0.1936856800000000, -0.0707850800000000 ] - [ -0.0194882900000000, 0.1945758000000000, 0.0738835500000000 ] - [ -0.0210615000000000, 0.1932514700000000, 0.0709902000000000 ] - [ 0.0571059200000000, -0.0154400700000000, -0.0092708200000000 ] - [ 0.0564762200000000, -0.0158055400000000, -0.0085171500000000 ] - [ -0.0565866500000000, -0.0151592200000000, 0.0079612600000000 ] - [ -0.0565227300000000, -0.0158814200000000, 0.0080624800000000 ] - [ -0.0567188800000000, 0.0155950800000000, 0.0084341700000000 ] - [ -0.0568846600000000, 0.0155723900000000, 0.0082175300000000 ] - [ 0.0565990400000000, 0.0157084900000000, -0.0080232300000000 ] - [ 0.0568041700000000, 0.0155533400000000, -0.0080541000000000 ] - [ -0.0102854600000000, 0.2026866500000000, 0.0811280900000000 ] - [ -0.0096839300000000, 0.2021468800000000, 0.0802302200000000 ] - [ 0.0096169800000000, 0.2019916300000000, -0.0796247500000000 ] - [ 0.0095687700000000, 0.2020624100000000, -0.0797944000000000 ] - [ 0.0096038600000000, -0.2019471300000000, -0.0797993600000000 ] - [ 0.0098085800000000, -0.2020141100000000, -0.0798273100000000 ] - [ -0.0072401000000000, -0.2029767300000000, 0.0849710100000000 ] - [ -0.0096738200000000, -0.2017677500000000, 0.0798608700000000 ]- atom: 65 displacement: [ 0.0000427683518374, 0.0000000000000000, -0.0099999085429858 ] forces: - [ -0.0066211800000000, 0.0073068200000000, -0.0167752500000000 ] - [ -0.0066258700000000, 0.0071985900000000, -0.0167806000000000 ] - [ -0.0065485800000000, -0.0071911800000000, -0.0166518300000000 ] - [ -0.0066015300000000, -0.0071957500000000, -0.0167085200000000 ] - [ 0.0065267400000000, -0.0071304500000000, 0.0167201300000000 ] - [ 0.0065834700000000, -0.0072233400000000, 0.0167281600000000 ] - [ 0.0072688900000000, 0.0073841200000000, 0.0167690900000000 ] - [ 0.0065731500000000, 0.0072436400000000, 0.0167492600000000 ] - [ -0.0017423700000000, 0.0000099300000000, -0.0053087800000000 ] - [ -0.0017184500000000, -0.0006662900000000, -0.0052249300000000 ] - [ 0.0029847300000000, -0.0002254200000000, 0.0049252800000000 ] - [ 0.0014933800000000, -0.0002623500000000, 0.0054082600000000 ] - [ 0.0014857900000000, 0.0002541600000000, 0.0054563100000000 ] - [ 0.0014702200000000, 0.0002712400000000, 0.0054341500000000 ] - [ -0.0038402500000000, 0.0017581300000000, -0.0109675900000000 ] - [ -0.0015204200000000, 0.0002906200000000, -0.0054180300000000 ] - [ 0.0118892500000000, -0.0063148200000000, 0.0018799200000000 ] - [ 0.0118381600000000, -0.0072604800000000, 0.0019505300000000 ] - [ -0.0115627000000000, -0.0066727400000000, -0.0016732000000000 ] - [ -0.0116838600000000, -0.0066887800000000, -0.0015965000000000 ] - [ -0.0116810700000000, 0.0066322000000000, -0.0014207900000000 ] - [ -0.0116736200000000, 0.0066612700000000, -0.0014777700000000 ] - [ 0.0135089600000000, 0.0072628800000000, 0.0008486500000000 ] - [ 0.0116853500000000, 0.0066441800000000, 0.0015453300000000 ] - [ -0.0001624100000000, -0.0039285500000000, 0.0092640400000000 ] - [ 0.0000003200000000, -0.0040789900000000, 0.0089501600000000 ] - [ -0.0003164400000000, -0.0065901200000000, -0.0096364500000000 ] - [ 0.0001025400000000, -0.0048291800000000, -0.0088707500000000 ] - [ -0.0003377100000000, 0.0040797700000000, -0.0083866100000000 ] - [ 0.0000035200000000, 0.0040895100000000, -0.0088511300000000 ] - [ -0.0000028200000000, 0.0039493300000000, 0.0087984000000000 ] - [ 0.0000276700000000, 0.0041361900000000, 0.0088192700000000 ] - [ -0.0277533600000000, -0.0277028300000000, -0.0422804300000000 ] - [ -0.0156760600000000, -0.0336147500000000, -0.0314183800000000 ] - [ -0.0207049100000000, -0.0491255500000000, -0.0057883200000000 ] - [ -0.0206673600000000, -0.0491423500000000, -0.0056975400000000 ] - [ -0.0206457600000000, 0.0492244100000000, -0.0058292600000000 ] - [ -0.0207892000000000, 0.0493373200000000, -0.0060060800000000 ] - [ 0.0217230400000000, 0.0496913900000000, 0.0050350700000000 ] - [ 0.0206361500000000, 0.0489096500000000, 0.0055434600000000 ] - [ 0.0435196400000000, -0.0188980300000000, -0.0208832900000000 ] - [ 0.0436053900000000, -0.0191115400000000, -0.0210426800000000 ] - [ -0.0435259300000000, -0.0188186400000000, 0.0210065100000000 ] - [ -0.0435537100000000, -0.0189875300000000, 0.0209367000000000 ] - [ -0.0441625200000000, 0.0182592300000000, 0.0204967900000000 ] - [ -0.0434523800000000, 0.0190081200000000, 0.0209235500000000 ] - [ 0.0389663400000000, -0.0025261100000000, -0.0375005300000000 ] - [ 0.0438150400000000, 0.0189084100000000, -0.0208582000000000 ] - [ 0.0434580300000000, -0.0188563400000000, -0.0267846400000000 ] - [ 0.0435527400000000, -0.0186600600000000, -0.0269256300000000 ] - [ -0.0433400800000000, -0.0186981200000000, 0.0271337700000000 ] - [ -0.0435290600000000, -0.0188068900000000, 0.0270121400000000 ] - [ -0.0327410600000000, 0.0332639400000000, -0.0064016100000000 ] - [ -0.0436036200000000, 0.0188438800000000, 0.0271540500000000 ] - [ 0.0433472200000000, 0.0196814500000000, -0.0270006000000000 ] - [ 0.0438572100000000, 0.0188495700000000, -0.0268667100000000 ] - [ 0.0159296500000000, -0.0335259000000000, 0.0313415100000000 ] - [ 0.0160331400000000, -0.0336478500000000, 0.0314463500000000 ] - [ -0.0159824900000000, 0.0332389200000000, -0.0308920900000000 ] - [ -0.0158438400000000, 0.0336723400000000, -0.0312502400000000 ] - [ 0.0160303600000000, 0.0333304000000000, 0.0314991300000000 ] - [ 0.0158422500000000, 0.0336282000000000, 0.0313899900000000 ] - [ 0.0206779000000000, -0.0487957000000000, 0.0058520600000000 ] - [ 0.0207391600000000, -0.0491065900000000, 0.0057713500000000 ] - [ 0.0841308700000000, 0.0163020000000000, 0.0609305200000000 ] - [ 0.0789927300000000, 0.0157837500000000, -0.0141260100000000 ] - [ 0.1334111300000000, 0.0062543300000000, 0.0072101500000000 ] - [ 0.1315309400000000, 0.0056356600000000, 0.0082968200000000 ] - [ 0.1314997900000000, -0.0060079200000000, 0.0081542600000000 ] - [ 0.1315634100000000, -0.0057082900000000, 0.0082824400000000 ] - [ -0.1315929600000000, -0.0058159200000000, -0.0085317300000000 ] - [ -0.1315184300000000, -0.0058128200000000, -0.0083924300000000 ] - [ -0.1315031600000000, 0.0053592000000000, -0.0076626800000000 ] - [ -0.1316608600000000, 0.0061917200000000, -0.0076049700000000 ] - [ -0.0791808000000000, 0.0155733600000000, 0.0144432100000000 ] - [ -0.0789427300000000, 0.0158512200000000, 0.0144431000000000 ] - [ -0.0796098300000000, -0.0155600800000000, 0.0142788800000000 ] - [ -0.0790658600000000, -0.0157650300000000, 0.0144071200000000 ] - [ 0.0789389500000000, -0.0158486800000000, -0.0149667000000000 ] - [ 0.0791540400000000, -0.0159003800000000, -0.0144379100000000 ] - [ -0.0246594700000000, -0.0051351000000000, -0.0629550700000000 ] - [ -0.0242070100000000, -0.0063965100000000, -0.0630071600000000 ] - [ 0.0251080000000000, -0.0060983100000000, 0.0640415400000000 ] - [ 0.0244748100000000, -0.0059574800000000, 0.0640940900000000 ] - [ 0.0244377900000000, 0.0059721900000000, 0.0641880900000000 ] - [ 0.0244097300000000, 0.0060989200000000, 0.0641102400000000 ] - [ -0.0245118200000000, 0.0061278600000000, -0.0651740300000000 ] - [ -0.0244869700000000, 0.0061660700000000, -0.0643074200000000 ] - [ -0.0206567400000000, -0.1930517500000000, 0.0710365000000000 ] - [ -0.0211499000000000, -0.1931710500000000, 0.0706256900000000 ] - [ 0.0211276800000000, -0.1935714900000000, -0.0708260200000000 ] - [ 0.0211088600000000, -0.1935323700000000, -0.0708142100000000 ] - [ 0.0210480500000000, 0.1936842000000000, -0.0708112600000000 ] - [ 0.0212210700000000, 0.1934584600000000, -0.0707988900000000 ] - [ -0.0227859200000000, 0.1925461500000000, 0.0676467700000000 ] - [ -0.0211811200000000, 0.1938940600000000, 0.0705963300000000 ] - [ 0.0566387100000000, -0.0156728200000000, -0.0071115800000000 ] - [ 0.0572600100000000, -0.0152971800000000, -0.0078620500000000 ] - [ -0.0571469000000000, -0.0159505900000000, 0.0084321300000000 ] - [ -0.0572108100000000, -0.0152254100000000, 0.0083279800000000 ] - [ -0.0570142600000000, 0.0155121200000000, 0.0079550600000000 ] - [ -0.0568476300000000, 0.0155358600000000, 0.0081701800000000 ] - [ 0.0571300900000000, 0.0154009200000000, -0.0083641500000000 ] - [ 0.0569259400000000, 0.0155532000000000, -0.0083330200000000 ] - [ -0.0088940400000000, 0.2013728600000000, 0.0784807000000000 ] - [ -0.0094918400000000, 0.2019057200000000, 0.0793810300000000 ] - [ 0.0095596900000000, 0.2020659800000000, -0.0799791200000000 ] - [ 0.0096070900000000, 0.2019974100000000, -0.0798133700000000 ] - [ 0.0095751000000000, -0.2021101900000000, -0.0798083100000000 ] - [ 0.0093640600000000, -0.2020438900000000, -0.0797776700000000 ] - [ -0.0119627600000000, -0.2010557200000000, 0.0745694900000000 ] - [ -0.0095015100000000, -0.2022908900000000, 0.0797490900000000 ]- atom: 67 displacement: [ 0.0099999992956673, 0.0000000000000000, 0.0000037532191477 ] forces: - [ -0.0069397100000000, 0.0072333800000000, -0.0168288000000000 ] - [ -0.0068673800000000, 0.0071068800000000, -0.0168293300000000 ] - [ -0.0066873900000000, -0.0071226000000000, -0.0164284700000000 ] - [ -0.0066609400000000, -0.0071951900000000, -0.0166649700000000 ] - [ 0.0064864400000000, -0.0072026800000000, 0.0167785600000000 ] - [ 0.0065060700000000, -0.0072578300000000, 0.0168185200000000 ] - [ 0.0057562500000000, 0.0070942400000000, 0.0164148800000000 ] - [ 0.0064427300000000, 0.0071933900000000, 0.0167602900000000 ] - [ -0.0013498200000000, -0.0011763300000000, -0.0056399800000000 ] - [ -0.0013631700000000, 0.0001877200000000, -0.0053518700000000 ] - [ 0.0021248700000000, -0.0002911100000000, 0.0059882500000000 ] - [ 0.0017733700000000, -0.0002866100000000, 0.0053570700000000 ] - [ 0.0016126600000000, 0.0002702400000000, 0.0053924800000000 ] - [ 0.0016459100000000, 0.0002687500000000, 0.0055600700000000 ] - [ -0.0013341300000000, 0.0002312500000000, -0.0051593600000000 ] - [ -0.0014348600000000, 0.0002593200000000, -0.0053478600000000 ] - [ 0.0115038100000000, -0.0067545800000000, 0.0014254800000000 ] - [ 0.0114972300000000, -0.0065292900000000, 0.0014300100000000 ] - [ -0.0118032100000000, -0.0066167700000000, -0.0017575800000000 ] - [ -0.0117842200000000, -0.0066719000000000, -0.0018003200000000 ] - [ -0.0116470500000000, 0.0064444300000000, -0.0014420100000000 ] - [ -0.0118680500000000, 0.0066206300000000, -0.0014529000000000 ] - [ 0.0112797700000000, 0.0065727200000000, 0.0016838500000000 ] - [ 0.0115416700000000, 0.0067076400000000, 0.0015460400000000 ] - [ 0.0017814200000000, -0.0048280500000000, 0.0053029200000000 ] - [ 0.0000410100000000, -0.0039494900000000, 0.0089575900000000 ] - [ 0.0000742200000000, -0.0038807000000000, -0.0088255800000000 ] - [ -0.0000170900000000, -0.0040611700000000, -0.0086980300000000 ] - [ 0.0031088100000000, 0.0041999000000000, -0.0056229100000000 ] - [ 0.0000792500000000, 0.0040505200000000, -0.0088935200000000 ] - [ 0.0002280500000000, 0.0041318600000000, 0.0087572400000000 ] - [ 0.0001562300000000, 0.0039956700000000, 0.0087963300000000 ] - [ -0.0163291000000000, -0.0332306900000000, -0.0306286000000000 ] - [ -0.0162823300000000, -0.0338976600000000, -0.0315747900000000 ] - [ -0.0208726200000000, -0.0490462200000000, -0.0057588400000000 ] - [ -0.0207768300000000, -0.0491341900000000, -0.0057954100000000 ] - [ -0.0211491700000000, 0.0488963100000000, -0.0058266500000000 ] - [ -0.0211854200000000, 0.0488080500000000, -0.0053114900000000 ] - [ 0.0201087600000000, 0.0488089900000000, 0.0060683600000000 ] - [ 0.0204351000000000, 0.0493303300000000, 0.0057275400000000 ] - [ 0.0436350500000000, -0.0187830400000000, -0.0209690500000000 ] - [ 0.0436124100000000, -0.0185906300000000, -0.0209856400000000 ] - [ -0.0434283300000000, -0.0189899900000000, 0.0210174500000000 ] - [ -0.0434335900000000, -0.0189783200000000, 0.0210195400000000 ] - [ -0.0127626300000000, 0.0369947700000000, 0.0221362800000000 ] - [ -0.0432623700000000, 0.0193822700000000, 0.0202602900000000 ] - [ 0.0434361800000000, 0.0185621400000000, -0.0208348900000000 ] - [ 0.0435402800000000, 0.0185775600000000, -0.0212876100000000 ] - [ 0.0437512800000000, -0.0188075300000000, -0.0269021400000000 ] - [ 0.0436334300000000, -0.0187871300000000, -0.0268891300000000 ] - [ -0.0433599500000000, -0.0189725200000000, 0.0268233800000000 ] - [ -0.0435077500000000, -0.0188438500000000, 0.0268418200000000 ] - [ -0.0260124800000000, 0.0072345100000000, 0.0101803800000000 ] - [ -0.0435454600000000, 0.0185932900000000, 0.0264630300000000 ] - [ 0.0536413600000000, 0.0053434200000000, -0.0210451500000000 ] - [ 0.0440658300000000, 0.0189806400000000, -0.0267649700000000 ] - [ 0.0149521600000000, -0.0328472200000000, 0.0314580900000000 ] - [ 0.0162394600000000, -0.0329071800000000, 0.0318448300000000 ] - [ -0.0161036900000000, 0.0335172800000000, -0.0312659300000000 ] - [ -0.0159714700000000, 0.0336276300000000, -0.0313694700000000 ] - [ 0.0157995900000000, 0.0335296700000000, 0.0314995800000000 ] - [ 0.0158758500000000, 0.0334645600000000, 0.0314162100000000 ] - [ 0.0205771600000000, -0.0492049600000000, 0.0057462500000000 ] - [ 0.0205504100000000, -0.0491629900000000, 0.0057611700000000 ] - [ 0.0804545300000000, 0.0158111200000000, -0.0161728800000000 ] - [ 0.0797240200000000, 0.0162024100000000, -0.0143140700000000 ] - [ 0.0576294200000000, 0.0177089800000000, 0.0203049200000000 ] - [ 0.1311042700000000, 0.0057106500000000, 0.0083578000000000 ] - [ 0.1313711300000000, -0.0058100600000000, 0.0083019000000000 ] - [ 0.1314262200000000, -0.0057632400000000, 0.0082265500000000 ] - [ -0.1319262900000000, -0.0057270900000000, -0.0082646700000000 ] - [ -0.1316888400000000, -0.0058642400000000, -0.0083385200000000 ] - [ -0.1322408600000000, 0.0072906800000000, -0.0090412300000000 ] - [ -0.1322426700000000, 0.0053296700000000, -0.0083325700000000 ] - [ -0.0788670300000000, 0.0127657600000000, 0.0144353700000000 ] - [ -0.0795529000000000, 0.0156873800000000, 0.0142865300000000 ] - [ -0.0792551900000000, -0.0158124300000000, 0.0143764900000000 ] - [ -0.0791169500000000, -0.0157917700000000, 0.0143023300000000 ] - [ 0.0790201300000000, -0.0162346300000000, -0.0142831900000000 ] - [ 0.0790120300000000, -0.0156976200000000, -0.0143469400000000 ] - [ -0.0241577800000000, -0.0059461500000000, -0.0645441200000000 ] - [ -0.0244760900000000, -0.0062285700000000, -0.0641759100000000 ] - [ 0.0275015000000000, -0.0057110100000000, 0.0633788000000000 ] - [ 0.0248827000000000, -0.0066118200000000, 0.0641632400000000 ] - [ 0.0244549700000000, 0.0060682800000000, 0.0643202300000000 ] - [ 0.0245161900000000, 0.0059995100000000, 0.0641470800000000 ] - [ -0.0242296700000000, 0.0059807100000000, -0.0641438500000000 ] - [ -0.0243800300000000, 0.0059790300000000, -0.0641354100000000 ] - [ -0.0210450600000000, -0.1936018000000000, 0.0706418200000000 ] - [ -0.0210271100000000, -0.1934811100000000, 0.0708498400000000 ] - [ 0.0211979000000000, -0.1935654400000000, -0.0709255000000000 ] - [ 0.0210571200000000, -0.1935004900000000, -0.0707966600000000 ] - [ 0.0225151100000000, 0.1949184800000000, -0.0705091700000000 ] - [ 0.0217794700000000, 0.1929944900000000, -0.0705272500000000 ] - [ -0.0198239100000000, 0.1942759000000000, 0.0704299200000000 ] - [ -0.0210835800000000, 0.1936466400000000, 0.0708230800000000 ] - [ 0.0575987000000000, -0.0152645600000000, -0.0084069300000000 ] - [ 0.0574990900000000, -0.0155084000000000, -0.0082437600000000 ] - [ -0.0562538000000000, -0.0159022300000000, 0.0079124300000000 ] - [ -0.0563255000000000, -0.0159677300000000, 0.0082960000000000 ] - [ -0.0567537100000000, 0.0155769900000000, 0.0081611600000000 ] - [ -0.0568004000000000, 0.0155802200000000, 0.0082109500000000 ] - [ 0.0570043900000000, 0.0155289800000000, -0.0082071200000000 ] - [ 0.0569730500000000, 0.0155298200000000, -0.0081733600000000 ] - [ -0.0094267200000000, 0.2020099000000000, 0.0795594400000000 ] - [ -0.0095596300000000, 0.2020328100000000, 0.0797910500000000 ] - [ 0.0095891400000000, 0.2019998800000000, -0.0798337800000000 ] - [ 0.0095956000000000, 0.2019512700000000, -0.0798260200000000 ] - [ 0.0099423200000000, -0.2038719900000000, -0.0789749000000000 ] - [ 0.0096861400000000, -0.2016611100000000, -0.0795998400000000 ] - [ -0.0053690200000000, -0.2032276500000000, 0.0796606600000000 ] - [ -0.0096862700000000, -0.2020399700000000, 0.0798995200000000 ]- atom: 67 displacement: [ -0.0099999992956673, 0.0000000000000000, -0.0000037532191477 ] forces: - [ -0.0062472000000000, 0.0072153200000000, -0.0166750000000000 ] - [ -0.0063208900000000, 0.0073410500000000, -0.0166752700000000 ] - [ -0.0064998300000000, -0.0073273700000000, -0.0170729900000000 ] - [ -0.0065259900000000, -0.0072566400000000, -0.0168387100000000 ] - [ 0.0067000600000000, -0.0072471400000000, 0.0167254300000000 ] - [ 0.0066803900000000, -0.0071919800000000, 0.0166844900000000 ] - [ 0.0074272400000000, 0.0073569100000000, 0.0170872100000000 ] - [ 0.0067437000000000, 0.0072571700000000, 0.0167444300000000 ] - [ -0.0016462400000000, 0.0006206100000000, -0.0051348500000000 ] - [ -0.0016232600000000, -0.0007478400000000, -0.0054221400000000 ] - [ 0.0008658500000000, -0.0002574300000000, 0.0047857700000000 ] - [ 0.0012229300000000, -0.0002646100000000, 0.0054164300000000 ] - [ 0.0013788600000000, 0.0002793100000000, 0.0053812400000000 ] - [ 0.0013459200000000, 0.0002812300000000, 0.0052133000000000 ] - [ -0.0016583500000000, 0.0003192200000000, -0.0056147700000000 ] - [ -0.0015562500000000, 0.0002910100000000, -0.0054241000000000 ] - [ 0.0118241600000000, -0.0066026400000000, 0.0016750400000000 ] - [ 0.0118310300000000, -0.0068287800000000, 0.0016707000000000 ] - [ -0.0115254500000000, -0.0067390500000000, -0.0013445100000000 ] - [ -0.0115452800000000, -0.0066855800000000, -0.0013030100000000 ] - [ -0.0116803400000000, 0.0069105700000000, -0.0016584800000000 ] - [ -0.0114591500000000, 0.0067372200000000, -0.0016495200000000 ] - [ 0.0120494000000000, 0.0067844900000000, 0.0014179800000000 ] - [ 0.0117850400000000, 0.0066495500000000, 0.0015567900000000 ] - [ -0.0018247600000000, -0.0032798200000000, 0.0124436500000000 ] - [ -0.0000938600000000, -0.0041486100000000, 0.0088400800000000 ] - [ -0.0000214000000000, -0.0042228700000000, -0.0089712500000000 ] - [ 0.0000683000000000, -0.0040390400000000, -0.0090966900000000 ] - [ -0.0031232500000000, 0.0039048800000000, -0.0122782300000000 ] - [ -0.0000261700000000, 0.0040493000000000, -0.0089059100000000 ] - [ -0.0002785600000000, 0.0039710800000000, 0.0090413200000000 ] - [ -0.0002079100000000, 0.0041053900000000, 0.0090022500000000 ] - [ -0.0154180300000000, -0.0339694500000000, -0.0321432400000000 ] - [ -0.0154740100000000, -0.0332942400000000, -0.0312012900000000 ] - [ -0.0204878200000000, -0.0492471900000000, -0.0057915200000000 ] - [ -0.0205825200000000, -0.0491593700000000, -0.0057556400000000 ] - [ -0.0202190000000000, 0.0493967900000000, -0.0057322600000000 ] - [ -0.0201750400000000, 0.0494839300000000, -0.0062375500000000 ] - [ 0.0212455900000000, 0.0494869300000000, 0.0054794300000000 ] - [ 0.0209236200000000, 0.0489633800000000, 0.0058231200000000 ] - [ 0.0435441100000000, -0.0190742800000000, -0.0209356500000000 ] - [ 0.0435677900000000, -0.0192690300000000, -0.0209183400000000 ] - [ -0.0437509800000000, -0.0188675700000000, 0.0208880200000000 ] - [ -0.0437458700000000, -0.0188792000000000, 0.0208859900000000 ] - [ -0.0734323400000000, 0.0015951600000000, 0.0197870900000000 ] - [ -0.0439159800000000, 0.0184738000000000, 0.0216436200000000 ] - [ 0.0437329900000000, 0.0192969800000000, -0.0210700000000000 ] - [ 0.0436335000000000, 0.0192756800000000, -0.0206252000000000 ] - [ 0.0433339400000000, -0.0188477800000000, -0.0268824400000000 ] - [ 0.0434497900000000, -0.0188676200000000, -0.0268959000000000 ] - [ -0.0437233400000000, -0.0186811000000000, 0.0269628100000000 ] - [ -0.0435750300000000, -0.0188117300000000, 0.0269432700000000 ] - [ -0.0613881200000000, 0.0307973400000000, 0.0440847200000000 ] - [ -0.0435408900000000, 0.0190539700000000, 0.0273089300000000 ] - [ 0.0334455100000000, 0.0321632300000000, -0.0326870600000000 ] - [ 0.0430224300000000, 0.0186762600000000, -0.0270180600000000 ] - [ 0.0168025300000000, -0.0343432800000000, 0.0313208100000000 ] - [ 0.0155115700000000, -0.0342936400000000, 0.0309334300000000 ] - [ -0.0156470100000000, 0.0336784600000000, -0.0315081900000000 ] - [ -0.0157805300000000, 0.0335667300000000, -0.0314046400000000 ] - [ 0.0159516400000000, 0.0336644300000000, 0.0312753800000000 ] - [ 0.0158756500000000, 0.0337286600000000, 0.0313581200000000 ] - [ 0.0207818900000000, -0.0490895800000000, 0.0058051000000000 ] - [ 0.0208082500000000, -0.0491317800000000, 0.0057897700000000 ] - [ 0.0776514400000000, 0.0157186900000000, -0.0125361100000000 ] - [ 0.0783920700000000, 0.0153356000000000, -0.0144136500000000 ] - [ 0.2049392000000000, -0.0070544700000000, -0.0040790400000000 ] - [ 0.1320562500000000, 0.0058891500000000, 0.0082775600000000 ] - [ 0.1317886200000000, -0.0057899200000000, 0.0083309000000000 ] - [ 0.1317329700000000, -0.0058363200000000, 0.0084054700000000 ] - [ -0.1312360700000000, -0.0058736800000000, -0.0083646800000000 ] - [ -0.1314719100000000, -0.0057354100000000, -0.0082940400000000 ] - [ -0.1309064300000000, 0.0043301900000000, -0.0075927200000000 ] - [ -0.1309080100000000, 0.0062609600000000, -0.0083021200000000 ] - [ -0.0792604200000000, 0.0187533400000000, 0.0142901900000000 ] - [ -0.0785583500000000, 0.0158348300000000, 0.0144434800000000 ] - [ -0.0788544900000000, -0.0157196600000000, 0.0143528500000000 ] - [ -0.0789913100000000, -0.0157404900000000, 0.0144267500000000 ] - [ 0.0790853600000000, -0.0152931600000000, -0.0144481900000000 ] - [ 0.0790949200000000, -0.0158337300000000, -0.0143825100000000 ] - [ -0.0247892200000000, -0.0061051100000000, -0.0637296400000000 ] - [ -0.0244723400000000, -0.0058165100000000, -0.0640987300000000 ] - [ 0.0214976700000000, -0.0063278100000000, 0.0648791400000000 ] - [ 0.0240628500000000, -0.0054377400000000, 0.0641066900000000 ] - [ 0.0244950400000000, 0.0059800100000000, 0.0639551500000000 ] - [ 0.0244340000000000, 0.0060471700000000, 0.0641273800000000 ] - [ -0.0247187400000000, 0.0060655800000000, -0.0641313400000000 ] - [ -0.0245699800000000, 0.0060689800000000, -0.0641391700000000 ] - [ -0.0211970200000000, -0.1935435500000000, 0.0709428600000000 ] - [ -0.0212154200000000, -0.1936647000000000, 0.0707327500000000 ] - [ 0.0210453900000000, -0.1935789500000000, -0.0706598000000000 ] - [ 0.0211837800000000, -0.1936433300000000, -0.0707871600000000 ] - [ 0.0197305600000000, 0.1922462100000000, -0.0710670100000000 ] - [ 0.0204691400000000, 0.1941447400000000, -0.0710535000000000 ] - [ -0.0224375600000000, 0.1928450000000000, 0.0711612500000000 ] - [ -0.0211554500000000, 0.1934970100000000, 0.0707615000000000 ] - [ 0.0561455800000000, -0.0158403000000000, -0.0079832000000000 ] - [ 0.0562352200000000, -0.0156006700000000, -0.0081448900000000 ] - [ -0.0574896600000000, -0.0152016500000000, 0.0084786200000000 ] - [ -0.0574052700000000, -0.0151425500000000, 0.0080925400000000 ] - [ -0.0569776300000000, 0.0155309000000000, 0.0082276600000000 ] - [ -0.0569313400000000, 0.0155276800000000, 0.0081784900000000 ] - [ 0.0567276900000000, 0.0155792500000000, -0.0081822500000000 ] - [ 0.0567590000000000, 0.0155777000000000, -0.0082158700000000 ] - [ -0.0097496900000000, 0.2020489800000000, 0.0800489700000000 ] - [ -0.0096159900000000, 0.2020263100000000, 0.0798169400000000 ] - [ 0.0095875300000000, 0.2020577000000000, -0.0797741700000000 ] - [ 0.0095805500000000, 0.2021069900000000, -0.0797811600000000 ] - [ 0.0092275700000000, -0.2002014700000000, -0.0806258700000000 ] - [ 0.0094927700000000, -0.2023871600000000, -0.0799987900000000 ] - [ -0.0138472600000000, -0.2007996400000000, 0.0799345800000000 ] - [ -0.0094886400000000, -0.2020147500000000, 0.0797105500000000 ]- atom: 67 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0063289300000000, 0.0071645800000000, -0.0166136300000000 ] - [ -0.0068415100000000, 0.0071110400000000, -0.0167991800000000 ] - [ -0.0066013600000000, -0.0072491000000000, -0.0169248900000000 ] - [ -0.0066025000000000, -0.0072393300000000, -0.0167739700000000 ] - [ 0.0065800700000000, -0.0072077800000000, 0.0167383300000000 ] - [ 0.0065836800000000, -0.0072217500000000, 0.0167377800000000 ] - [ 0.0068361000000000, 0.0074132000000000, 0.0169090300000000 ] - [ 0.0066214600000000, 0.0071830900000000, 0.0167391800000000 ] - [ -0.0018006200000000, -0.0005240300000000, -0.0053275600000000 ] - [ -0.0012764500000000, -0.0007693100000000, -0.0053098900000000 ] - [ 0.0015588100000000, -0.0000436800000000, 0.0054246000000000 ] - [ 0.0014961300000000, -0.0007375200000000, 0.0053681200000000 ] - [ 0.0014948900000000, 0.0002643700000000, 0.0057090600000000 ] - [ 0.0014356500000000, 0.0002152800000000, 0.0051651800000000 ] - [ -0.0014853000000000, 0.0002771700000000, -0.0053493300000000 ] - [ -0.0014599500000000, 0.0002454200000000, -0.0054125200000000 ] - [ 0.0117096600000000, -0.0067116400000000, 0.0015325300000000 ] - [ 0.0116934700000000, -0.0067214300000000, 0.0015691300000000 ] - [ -0.0116925700000000, -0.0064071000000000, -0.0015802100000000 ] - [ -0.0116821600000000, -0.0068817900000000, -0.0015323400000000 ] - [ -0.0118960000000000, 0.0068845200000000, -0.0014471000000000 ] - [ -0.0114054200000000, 0.0065561100000000, -0.0017189800000000 ] - [ 0.0115900700000000, 0.0066237200000000, 0.0015458000000000 ] - [ 0.0116610600000000, 0.0066626800000000, 0.0015459600000000 ] - [ -0.0008604400000000, -0.0041503000000000, 0.0099934800000000 ] - [ 0.0000310700000000, -0.0044935000000000, 0.0090267900000000 ] - [ 0.0001844100000000, -0.0038734400000000, -0.0090672400000000 ] - [ -0.0001903300000000, -0.0041186600000000, -0.0086875900000000 ] - [ 0.0001893500000000, 0.0044499400000000, -0.0088797100000000 ] - [ 0.0000299400000000, 0.0040067600000000, -0.0088948100000000 ] - [ 0.0000689800000000, 0.0040224600000000, 0.0091121300000000 ] - [ -0.0001181200000000, 0.0040911300000000, 0.0087166200000000 ] - [ -0.0162027900000000, -0.0335838600000000, -0.0319600600000000 ] - [ -0.0157273000000000, -0.0334139600000000, -0.0311804100000000 ] - [ -0.0207661800000000, -0.0490151800000000, -0.0058108800000000 ] - [ -0.0206726100000000, -0.0491967500000000, -0.0057669300000000 ] - [ -0.0210849100000000, 0.0498475700000000, -0.0049052000000000 ] - [ -0.0206728600000000, 0.0491177300000000, -0.0059740100000000 ] - [ 0.0207981000000000, 0.0493388800000000, 0.0061696500000000 ] - [ 0.0207680000000000, 0.0489804100000000, 0.0056532100000000 ] - [ 0.0436257000000000, -0.0189417700000000, -0.0209607200000000 ] - [ 0.0435661100000000, -0.0191636600000000, -0.0209115200000000 ] - [ -0.0435092600000000, -0.0188133900000000, 0.0209591800000000 ] - [ -0.0436190300000000, -0.0190430700000000, 0.0209396500000000 ] - [ -0.0273459600000000, 0.0339235300000000, 0.0231790700000000 ] - [ -0.0438758500000000, 0.0181164500000000, 0.0214047800000000 ] - [ 0.0428400800000000, 0.0191527400000000, -0.0208883800000000 ] - [ 0.0448992900000000, 0.0187735700000000, -0.0205889400000000 ] - [ 0.0435113800000000, -0.0188885600000000, -0.0269097300000000 ] - [ 0.0435890400000000, -0.0188033500000000, -0.0268741300000000 ] - [ -0.0435392400000000, -0.0186211200000000, 0.0270434500000000 ] - [ -0.0435144800000000, -0.0189545400000000, 0.0268256600000000 ] - [ -0.0556783800000000, 0.0317785600000000, 0.0386491100000000 ] - [ -0.0437800400000000, 0.0181490600000000, 0.0260914000000000 ] - [ 0.0297271300000000, 0.0508511300000000, -0.0404099700000000 ] - [ 0.0434056000000000, 0.0178407700000000, -0.0270531000000000 ] - [ 0.0163781600000000, -0.0334884200000000, 0.0313117600000000 ] - [ 0.0145518300000000, -0.0333383400000000, 0.0304615900000000 ] - [ -0.0157484200000000, 0.0338703400000000, -0.0312778300000000 ] - [ -0.0159662100000000, 0.0334891700000000, -0.0313911400000000 ] - [ 0.0159197000000000, 0.0335856700000000, 0.0313539100000000 ] - [ 0.0158220300000000, 0.0335411000000000, 0.0314058100000000 ] - [ 0.0206102400000000, -0.0491423100000000, 0.0058049900000000 ] - [ 0.0207064100000000, -0.0491530700000000, 0.0057800600000000 ] - [ 0.0795202900000000, 0.0151115200000000, -0.0148121000000000 ] - [ 0.0784966700000000, 0.0166724200000000, -0.0142038100000000 ] - [ 0.1435549800000000, -0.0640770500000000, 0.0061530300000000 ] - [ 0.1314937900000000, 0.0058716800000000, 0.0084261100000000 ] - [ 0.1315907900000000, -0.0058813500000000, 0.0083845000000000 ] - [ 0.1315445900000000, -0.0057415000000000, 0.0081833800000000 ] - [ -0.1315078000000000, -0.0059362400000000, -0.0082478200000000 ] - [ -0.1316446200000000, -0.0057092800000000, -0.0083461200000000 ] - [ -0.1311151600000000, 0.0078718000000000, -0.0092976200000000 ] - [ -0.1330645300000000, 0.0078905100000000, -0.0070100500000000 ] - [ -0.0805351000000000, 0.0178581900000000, 0.0147528500000000 ] - [ -0.0765989900000000, 0.0181440200000000, 0.0139209900000000 ] - [ -0.0790215000000000, -0.0158507200000000, 0.0143813600000000 ] - [ -0.0790350600000000, -0.0156667300000000, 0.0143778300000000 ] - [ 0.0787618500000000, -0.0155610900000000, -0.0145767600000000 ] - [ 0.0791597000000000, -0.0156736700000000, -0.0142722800000000 ] - [ -0.0247332600000000, -0.0061456400000000, -0.0642546900000000 ] - [ -0.0245090300000000, -0.0058759400000000, -0.0639625000000000 ] - [ 0.0226237500000000, -0.0063567400000000, 0.0642670100000000 ] - [ 0.0248926100000000, -0.0052721000000000, 0.0645448800000000 ] - [ 0.0244714300000000, 0.0060348300000000, 0.0643324000000000 ] - [ 0.0244839500000000, 0.0060370900000000, 0.0640942000000000 ] - [ -0.0245427700000000, 0.0059639100000000, -0.0641575300000000 ] - [ -0.0245197400000000, 0.0061105200000000, -0.0641473000000000 ] - [ -0.0211312500000000, -0.1935535800000000, 0.0707542000000000 ] - [ -0.0211820900000000, -0.1936345200000000, 0.0707416700000000 ] - [ 0.0211497700000000, -0.1936477000000000, -0.0708339400000000 ] - [ 0.0211125200000000, -0.1934756800000000, -0.0707535300000000 ] - [ 0.0233258900000000, 0.1947375300000000, -0.0708201000000000 ] - [ 0.0207319200000000, 0.1937563100000000, -0.0709526400000000 ] - [ -0.0203976200000000, 0.1935953700000000, 0.0707627800000000 ] - [ -0.0211390700000000, 0.1936567600000000, 0.0708150800000000 ] - [ 0.0571738200000000, -0.0164208300000000, -0.0086372900000000 ] - [ 0.0569422300000000, -0.0155609100000000, -0.0080640900000000 ] - [ -0.0566943500000000, -0.0155957400000000, 0.0084023500000000 ] - [ -0.0562394100000000, -0.0159208200000000, 0.0078209600000000 ] - [ -0.0568912200000000, 0.0155197400000000, 0.0081844400000000 ] - [ -0.0568109800000000, 0.0156060900000000, 0.0081633900000000 ] - [ 0.0568767800000000, 0.0154800100000000, -0.0081699500000000 ] - [ 0.0568943900000000, 0.0156188300000000, -0.0081930600000000 ] - [ -0.0096038700000000, 0.2020404800000000, 0.0796182700000000 ] - [ -0.0095568000000000, 0.2020672700000000, 0.0799129600000000 ] - [ 0.0096028400000000, 0.2019630900000000, -0.0796811700000000 ] - [ 0.0096385900000000, 0.2020057300000000, -0.0798761100000000 ] - [ 0.0083517400000000, -0.2007179900000000, -0.0806949300000000 ] - [ 0.0099523300000000, -0.2017058900000000, -0.0793002800000000 ] - [ -0.0107327400000000, -0.2014928900000000, 0.0808647100000000 ] - [ -0.0096786600000000, -0.2017554900000000, 0.0797212400000000 ]- atom: 67 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0068573500000000, 0.0072842700000000, -0.0168918100000000 ] - [ -0.0063437100000000, 0.0073375300000000, -0.0167048100000000 ] - [ -0.0065851300000000, -0.0072028800000000, -0.0165819400000000 ] - [ -0.0065841000000000, -0.0072124800000000, -0.0167295900000000 ] - [ 0.0066073400000000, -0.0072419200000000, 0.0167653200000000 ] - [ 0.0066034400000000, -0.0072277900000000, 0.0167665800000000 ] - [ 0.0063536400000000, 0.0070366700000000, 0.0165940800000000 ] - [ 0.0065658100000000, 0.0072678000000000, 0.0167654300000000 ] - [ -0.0011983200000000, -0.0000373600000000, -0.0054503400000000 ] - [ -0.0017225400000000, 0.0002282300000000, -0.0054665900000000 ] - [ 0.0014260800000000, -0.0005078500000000, 0.0053391200000000 ] - [ 0.0014940100000000, 0.0001860300000000, 0.0054063200000000 ] - [ 0.0014958200000000, 0.0002856200000000, 0.0050637400000000 ] - [ 0.0015554000000000, 0.0003348300000000, 0.0056075800000000 ] - [ -0.0015077300000000, 0.0002732600000000, -0.0054247300000000 ] - [ -0.0015319900000000, 0.0003047600000000, -0.0053608600000000 ] - [ 0.0116190400000000, -0.0066454800000000, 0.0015687100000000 ] - [ 0.0116355000000000, -0.0066357100000000, 0.0015312400000000 ] - [ -0.0116344600000000, -0.0069507400000000, -0.0015206800000000 ] - [ -0.0116457100000000, -0.0064750400000000, -0.0015680100000000 ] - [ -0.0114313900000000, 0.0064749200000000, -0.0016557600000000 ] - [ -0.0119215800000000, 0.0068011000000000, -0.0013827800000000 ] - [ 0.0117393400000000, 0.0067337000000000, 0.0015559800000000 ] - [ 0.0116673500000000, 0.0066940800000000, 0.0015562200000000 ] - [ 0.0007964800000000, -0.0039410000000000, 0.0078230300000000 ] - [ -0.0000837600000000, -0.0036048400000000, 0.0087707300000000 ] - [ -0.0001310800000000, -0.0042283900000000, -0.0087320800000000 ] - [ 0.0002435300000000, -0.0039825300000000, -0.0091110500000000 ] - [ -0.0001141100000000, 0.0036489800000000, -0.0088944600000000 ] - [ 0.0000227900000000, 0.0040934500000000, -0.0089046400000000 ] - [ -0.0001224500000000, 0.0040792100000000, 0.0086872800000000 ] - [ 0.0000633000000000, 0.0040120400000000, 0.0090832900000000 ] - [ -0.0155446600000000, -0.0336112900000000, -0.0308070200000000 ] - [ -0.0160229400000000, -0.0337794000000000, -0.0315930800000000 ] - [ -0.0205923400000000, -0.0492794300000000, -0.0057399600000000 ] - [ -0.0206865200000000, -0.0490972800000000, -0.0057840500000000 ] - [ -0.0202711100000000, 0.0484479200000000, -0.0066419600000000 ] - [ -0.0206868800000000, 0.0491761100000000, -0.0055757600000000 ] - [ 0.0205581800000000, 0.0489543800000000, 0.0053794100000000 ] - [ 0.0205933200000000, 0.0493133400000000, 0.0058988500000000 ] - [ 0.0435547800000000, -0.0189167900000000, -0.0209442200000000 ] - [ 0.0436134900000000, -0.0186954600000000, -0.0209935200000000 ] - [ -0.0436719100000000, -0.0190441500000000, 0.0209455200000000 ] - [ -0.0435613800000000, -0.0188148100000000, 0.0209653700000000 ] - [ -0.0594181500000000, 0.0040350700000000, 0.0187345100000000 ] - [ -0.0433041900000000, 0.0197369700000000, 0.0205046000000000 ] - [ 0.0443391300000000, 0.0187089400000000, -0.0210153900000000 ] - [ 0.0422827700000000, 0.0190832100000000, -0.0213148000000000 ] - [ 0.0435718200000000, -0.0187665500000000, -0.0268752800000000 ] - [ 0.0434938000000000, -0.0188519100000000, -0.0269109100000000 ] - [ -0.0435445400000000, -0.0190333200000000, 0.0267421000000000 ] - [ -0.0435693100000000, -0.0187005300000000, 0.0269599000000000 ] - [ -0.0316073900000000, 0.0058685400000000, 0.0153442900000000 ] - [ -0.0433077000000000, 0.0195027600000000, 0.0276950300000000 ] - [ 0.0579587400000000, -0.0142900900000000, -0.0128211900000000 ] - [ 0.0436738500000000, 0.0198147000000000, -0.0267264400000000 ] - [ 0.0153786200000000, -0.0337141700000000, 0.0314667000000000 ] - [ 0.0172037900000000, -0.0338529300000000, 0.0323103800000000 ] - [ -0.0160014300000000, 0.0333246100000000, -0.0314971600000000 ] - [ -0.0157841200000000, 0.0337048700000000, -0.0313835000000000 ] - [ 0.0158320800000000, 0.0336086900000000, 0.0314202500000000 ] - [ 0.0159290200000000, 0.0336540900000000, 0.0313682800000000 ] - [ 0.0207493600000000, -0.0491515700000000, 0.0057462200000000 ] - [ 0.0206539300000000, -0.0491400800000000, 0.0057705000000000 ] - [ 0.0785741300000000, 0.0164203700000000, -0.0139100800000000 ] - [ 0.0796096200000000, 0.0148639500000000, -0.0145266900000000 ] - [ 0.1187784700000000, 0.0766765500000000, 0.0096393900000000 ] - [ 0.1316721500000000, 0.0057277100000000, 0.0082071000000000 ] - [ 0.1315702100000000, -0.0057185800000000, 0.0082491400000000 ] - [ 0.1316168600000000, -0.0058582000000000, 0.0084501500000000 ] - [ -0.1316538800000000, -0.0056631400000000, -0.0083838200000000 ] - [ -0.1315154100000000, -0.0058903300000000, -0.0082871800000000 ] - [ -0.1320469700000000, 0.0037130600000000, -0.0073186900000000 ] - [ -0.1301030200000000, 0.0037317200000000, -0.0096022500000000 ] - [ -0.0775553400000000, 0.0136571800000000, 0.0139600100000000 ] - [ -0.0815005500000000, 0.0134011600000000, 0.0147938900000000 ] - [ -0.0790858300000000, -0.0156807100000000, 0.0143483200000000 ] - [ -0.0790717900000000, -0.0158654900000000, 0.0143507900000000 ] - [ 0.0793432200000000, -0.0159691500000000, -0.0141545900000000 ] - [ 0.0789471600000000, -0.0158586100000000, -0.0144579800000000 ] - [ -0.0242148200000000, -0.0059022700000000, -0.0640227600000000 ] - [ -0.0244411900000000, -0.0061715100000000, -0.0643121000000000 ] - [ 0.0263103800000000, -0.0056861900000000, 0.0640134700000000 ] - [ 0.0240622700000000, -0.0067804200000000, 0.0637264000000000 ] - [ 0.0244781500000000, 0.0060131500000000, 0.0639410000000000 ] - [ 0.0244662700000000, 0.0060109400000000, 0.0641806700000000 ] - [ -0.0244096400000000, 0.0060845800000000, -0.0641168600000000 ] - [ -0.0244312600000000, 0.0059369500000000, -0.0641268800000000 ] - [ -0.0211102900000000, -0.1935912000000000, 0.0708307600000000 ] - [ -0.0210612500000000, -0.1935093700000000, 0.0708422100000000 ] - [ 0.0210926000000000, -0.1934973600000000, -0.0707505300000000 ] - [ 0.0211292700000000, -0.1936697100000000, -0.0708300700000000 ] - [ 0.0189199700000000, 0.1924003900000000, -0.0707585900000000 ] - [ 0.0215086800000000, 0.1933891400000000, -0.0706317100000000 ] - [ -0.0218540600000000, 0.1935509400000000, 0.0708199900000000 ] - [ -0.0211015600000000, 0.1934876100000000, 0.0707694000000000 ] - [ 0.0565519600000000, -0.0146798900000000, -0.0077523900000000 ] - [ 0.0567887100000000, -0.0155456400000000, -0.0083250600000000 ] - [ -0.0570401400000000, -0.0155097900000000, 0.0079904400000000 ] - [ -0.0574923100000000, -0.0151892300000000, 0.0085649500000000 ] - [ -0.0568412400000000, 0.0155880100000000, 0.0082049400000000 ] - [ -0.0569211800000000, 0.0155016100000000, 0.0082261100000000 ] - [ 0.0568539500000000, 0.0156266500000000, -0.0082187200000000 ] - [ 0.0568372300000000, 0.0154896200000000, -0.0081960000000000 ] - [ -0.0095714000000000, 0.2020189600000000, 0.0799891600000000 ] - [ -0.0096199000000000, 0.2019905000000000, 0.0796949900000000 ] - [ 0.0095731100000000, 0.2020969500000000, -0.0799261200000000 ] - [ 0.0095376100000000, 0.2020533600000000, -0.0797308500000000 ] - [ 0.0108440900000000, -0.2033349800000000, -0.0789035900000000 ] - [ 0.0092213100000000, -0.2023550600000000, -0.0803081400000000 ] - [ -0.0084327500000000, -0.2025780800000000, 0.0787406600000000 ] - [ -0.0094971800000000, -0.2023030900000000, 0.0798855100000000 ]- atom: 67 displacement: [ -0.0000427683518374, 0.0000000000000000, 0.0099999085429858 ] forces: - [ -0.0066987200000000, 0.0072849400000000, -0.0168563300000000 ] - [ -0.0066859600000000, 0.0071215600000000, -0.0168172400000000 ] - [ -0.0066117700000000, -0.0072592200000000, -0.0169258900000000 ] - [ -0.0066030600000000, -0.0072229400000000, -0.0167751600000000 ] - [ 0.0065986100000000, -0.0072195900000000, 0.0166967300000000 ] - [ 0.0065888900000000, -0.0072262400000000, 0.0167201300000000 ] - [ 0.0068059100000000, 0.0071960400000000, 0.0167682000000000 ] - [ 0.0067041700000000, 0.0072687200000000, 0.0167861900000000 ] - [ -0.0017588400000000, -0.0005751000000000, -0.0051874400000000 ] - [ -0.0017439000000000, 0.0003519900000000, -0.0053958300000000 ] - [ 0.0019133700000000, -0.0002934600000000, 0.0079853400000000 ] - [ 0.0014796700000000, -0.0002448900000000, 0.0053532900000000 ] - [ 0.0015534300000000, 0.0004851600000000, 0.0051622700000000 ] - [ 0.0014912700000000, 0.0001983500000000, 0.0052889200000000 ] - [ -0.0016661400000000, 0.0003316100000000, -0.0057844800000000 ] - [ -0.0015205400000000, 0.0002770700000000, -0.0054861800000000 ] - [ 0.0116289300000000, -0.0067027400000000, 0.0016230300000000 ] - [ 0.0116414000000000, -0.0066357300000000, 0.0015816200000000 ] - [ -0.0115906700000000, -0.0066319400000000, -0.0017759000000000 ] - [ -0.0117311000000000, -0.0066981900000000, -0.0017576800000000 ] - [ -0.0115638100000000, 0.0067770200000000, -0.0016852400000000 ] - [ -0.0115011500000000, 0.0067028700000000, -0.0016659500000000 ] - [ 0.0120190700000000, 0.0068617800000000, 0.0012503200000000 ] - [ 0.0117431200000000, 0.0066747800000000, 0.0014034500000000 ] - [ -0.0029696400000000, -0.0032637900000000, 0.0140065500000000 ] - [ -0.0000957200000000, -0.0040037700000000, 0.0087861300000000 ] - [ -0.0000250600000000, -0.0042352800000000, -0.0091176800000000 ] - [ 0.0000532100000000, -0.0040838000000000, -0.0091049800000000 ] - [ 0.0027027600000000, 0.0040544800000000, -0.0054682000000000 ] - [ 0.0000154900000000, 0.0040446500000000, -0.0088446500000000 ] - [ -0.0000344100000000, 0.0040951600000000, 0.0086442600000000 ] - [ 0.0000035400000000, 0.0039959700000000, 0.0087361900000000 ] - [ -0.0152651500000000, -0.0343852900000000, -0.0298303700000000 ] - [ -0.0157078900000000, -0.0338429200000000, -0.0312067600000000 ] - [ -0.0206379900000000, -0.0491029900000000, -0.0057886000000000 ] - [ -0.0207016000000000, -0.0491525300000000, -0.0058092600000000 ] - [ -0.0210674700000000, 0.0496069100000000, -0.0043528400000000 ] - [ -0.0207831700000000, 0.0491429200000000, -0.0051113500000000 ] - [ 0.0205824400000000, 0.0491835700000000, 0.0059268200000000 ] - [ 0.0208339400000000, 0.0492588800000000, 0.0060838000000000 ] - [ 0.0433527300000000, -0.0191822600000000, -0.0208655000000000 ] - [ 0.0436175500000000, -0.0187659000000000, -0.0209996700000000 ] - [ -0.0435330400000000, -0.0188663400000000, 0.0209308600000000 ] - [ -0.0435007800000000, -0.0189723700000000, 0.0210279500000000 ] - [ -0.0431180500000000, 0.0206172100000000, 0.0252190100000000 ] - [ -0.0436694200000000, 0.0184273200000000, 0.0218699800000000 ] - [ 0.0440768100000000, 0.0194698800000000, -0.0203489000000000 ] - [ 0.0440042700000000, 0.0193047600000000, -0.0205002000000000 ] - [ 0.0440659300000000, -0.0191062400000000, -0.0269317800000000 ] - [ 0.0435889500000000, -0.0187699400000000, -0.0268924800000000 ] - [ -0.0436675800000000, -0.0183904700000000, 0.0268700800000000 ] - [ -0.0435674200000000, -0.0188436600000000, 0.0269047300000000 ] - [ -0.0591074200000000, 0.0297363500000000, 0.0476593100000000 ] - [ -0.0434225900000000, 0.0192347600000000, 0.0276301400000000 ] - [ 0.0492056800000000, 0.0061859700000000, -0.0171325000000000 ] - [ 0.0434071500000000, 0.0186699000000000, -0.0260663700000000 ] - [ 0.0160692500000000, -0.0338566600000000, 0.0322679700000000 ] - [ 0.0159870500000000, -0.0341738100000000, 0.0322464400000000 ] - [ -0.0159581200000000, 0.0335727900000000, -0.0315670500000000 ] - [ -0.0158847400000000, 0.0335806400000000, -0.0314266000000000 ] - [ 0.0158834000000000, 0.0335291100000000, 0.0313639400000000 ] - [ 0.0158528400000000, 0.0335792800000000, 0.0313878500000000 ] - [ 0.0206481500000000, -0.0491774500000000, 0.0057463900000000 ] - [ 0.0206585000000000, -0.0491438600000000, 0.0057753900000000 ] - [ 0.0764374600000000, 0.0162813200000000, -0.0132620400000000 ] - [ 0.0783807100000000, 0.0153395300000000, -0.0143434200000000 ] - [ 0.1443770500000000, 0.0039605500000000, -0.0402077500000000 ] - [ 0.1316229000000000, 0.0059093500000000, 0.0079593400000000 ] - [ 0.1315665800000000, -0.0058676100000000, 0.0083767600000000 ] - [ 0.1314915800000000, -0.0056664900000000, 0.0083365900000000 ] - [ -0.1315302500000000, -0.0057316200000000, -0.0071282600000000 ] - [ -0.1316022800000000, -0.0058290600000000, -0.0082550300000000 ] - [ -0.1315923700000000, 0.0044942100000000, -0.0087533100000000 ] - [ -0.1322976700000000, 0.0067862100000000, -0.0087594800000000 ] - [ -0.0797946300000000, 0.0182638200000000, 0.0136566600000000 ] - [ -0.0800479900000000, 0.0143349600000000, 0.0137119600000000 ] - [ -0.0791257600000000, -0.0157789100000000, 0.0145815600000000 ] - [ -0.0790629300000000, -0.0157703700000000, 0.0144412600000000 ] - [ 0.0793788400000000, -0.0159422600000000, -0.0142011700000000 ] - [ 0.0791396900000000, -0.0157192000000000, -0.0143308300000000 ] - [ -0.0244523300000000, -0.0058573700000000, -0.0642321300000000 ] - [ -0.0244460200000000, -0.0061940900000000, -0.0642957600000000 ] - [ 0.0221758600000000, -0.0063093100000000, 0.0632691900000000 ] - [ 0.0234614000000000, -0.0054311400000000, 0.0635160300000000 ] - [ 0.0243917700000000, 0.0060420500000000, 0.0642467600000000 ] - [ 0.0244822000000000, 0.0060266900000000, 0.0642145200000000 ] - [ -0.0244990000000000, 0.0060532600000000, -0.0639899700000000 ] - [ -0.0244896500000000, 0.0060040200000000, -0.0641587800000000 ] - [ -0.0210929000000000, -0.1935594200000000, 0.0708275400000000 ] - [ -0.0210326400000000, -0.1936632000000000, 0.0709668100000000 ] - [ 0.0210099700000000, -0.1935483300000000, -0.0706848000000000 ] - [ 0.0210283800000000, -0.1934883600000000, -0.0708311800000000 ] - [ 0.0224833900000000, 0.1952687400000000, -0.0708564400000000 ] - [ 0.0218030400000000, 0.1934637200000000, -0.0708515900000000 ] - [ -0.0212281900000000, 0.1936885000000000, 0.0699981900000000 ] - [ -0.0212462000000000, 0.1936229800000000, 0.0706702600000000 ] - [ 0.0568502200000000, -0.0156485800000000, -0.0083605100000000 ] - [ 0.0572039700000000, -0.0155569000000000, -0.0084505400000000 ] - [ -0.0568307600000000, -0.0157887600000000, 0.0078389300000000 ] - [ -0.0566773200000000, -0.0156265100000000, 0.0077776900000000 ] - [ -0.0568869600000000, 0.0155769200000000, 0.0082576100000000 ] - [ -0.0568462800000000, 0.0155699900000000, 0.0082221900000000 ] - [ 0.0568836500000000, 0.0155894800000000, -0.0081230700000000 ] - [ 0.0568523200000000, 0.0155853800000000, -0.0081386700000000 ] - [ -0.0096417000000000, 0.2019900600000000, 0.0800993400000000 ] - [ -0.0095659900000000, 0.2021122400000000, 0.0798984600000000 ] - [ 0.0095208400000000, 0.2019909600000000, -0.0796461100000000 ] - [ 0.0096084400000000, 0.2019620000000000, -0.0797573400000000 ] - [ 0.0097061000000000, -0.2039074400000000, -0.0798081000000000 ] - [ 0.0099619700000000, -0.2016057400000000, -0.0796956200000000 ] - [ -0.0085742700000000, -0.2022080300000000, 0.0783792500000000 ] - [ -0.0096388400000000, -0.2020112500000000, 0.0796507900000000 ]- atom: 67 displacement: [ 0.0000427683518374, 0.0000000000000000, -0.0099999085429858 ] forces: - [ -0.0064858800000000, 0.0071625900000000, -0.0166488200000000 ] - [ -0.0064989000000000, 0.0073273800000000, -0.0166889000000000 ] - [ -0.0065752100000000, -0.0071921200000000, -0.0165809000000000 ] - [ -0.0065839400000000, -0.0072274000000000, -0.0167301700000000 ] - [ 0.0065883600000000, -0.0072287400000000, 0.0168086600000000 ] - [ 0.0065979200000000, -0.0072224800000000, 0.0167852100000000 ] - [ 0.0063827400000000, 0.0072558500000000, 0.0167388500000000 ] - [ 0.0064821900000000, 0.0071812300000000, 0.0167205400000000 ] - [ -0.0012313100000000, 0.0000286600000000, -0.0055823800000000 ] - [ -0.0012446800000000, -0.0009137200000000, -0.0053752600000000 ] - [ 0.0011120100000000, -0.0002560600000000, 0.0029274400000000 ] - [ 0.0015133300000000, -0.0003043900000000, 0.0054196600000000 ] - [ 0.0014382500000000, 0.0000638500000000, 0.0056121300000000 ] - [ 0.0015001100000000, 0.0003514300000000, 0.0054839700000000 ] - [ -0.0013255800000000, 0.0002185300000000, -0.0049890300000000 ] - [ -0.0014711600000000, 0.0002736600000000, -0.0052865200000000 ] - [ 0.0116987700000000, -0.0066540300000000, 0.0014789000000000 ] - [ 0.0116861400000000, -0.0067218200000000, 0.0015205400000000 ] - [ -0.0117363100000000, -0.0067251500000000, -0.0013245900000000 ] - [ -0.0115970300000000, -0.0066585200000000, -0.0013435900000000 ] - [ -0.0117646700000000, 0.0065807600000000, -0.0014153800000000 ] - [ -0.0118262200000000, 0.0066530400000000, -0.0014348700000000 ] - [ 0.0113081100000000, 0.0064945900000000, 0.0018505800000000 ] - [ 0.0115847800000000, 0.0066811000000000, 0.0016981800000000 ] - [ 0.0030528100000000, -0.0048805500000000, 0.0036253200000000 ] - [ 0.0000434400000000, -0.0040954600000000, 0.0090133300000000 ] - [ 0.0000775600000000, -0.0038677700000000, -0.0086806100000000 ] - [ -0.0000002900000000, -0.0040174400000000, -0.0086932400000000 ] - [ -0.0027607000000000, 0.0040487000000000, -0.0123982400000000 ] - [ 0.0000372300000000, 0.0040556000000000, -0.0089543800000000 ] - [ -0.0000188900000000, 0.0040063400000000, 0.0091549400000000 ] - [ -0.0000560600000000, 0.0041058300000000, 0.0090635700000000 ] - [ -0.0164916500000000, -0.0328138700000000, -0.0329485400000000 ] - [ -0.0160444100000000, -0.0333517000000000, -0.0315694900000000 ] - [ -0.0207218900000000, -0.0491921000000000, -0.0057621700000000 ] - [ -0.0206578400000000, -0.0491413900000000, -0.0057415300000000 ] - [ -0.0202831800000000, 0.0486817300000000, -0.0071994700000000 ] - [ -0.0205765800000000, 0.0491504100000000, -0.0064441500000000 ] - [ 0.0207787400000000, 0.0491139400000000, 0.0056203000000000 ] - [ 0.0205249600000000, 0.0490330800000000, 0.0054657400000000 ] - [ 0.0438254900000000, -0.0186766400000000, -0.0210398500000000 ] - [ 0.0435622700000000, -0.0190904000000000, -0.0209057700000000 ] - [ -0.0436466100000000, -0.0189915700000000, 0.0209743500000000 ] - [ -0.0436792600000000, -0.0188853400000000, 0.0208777300000000 ] - [ -0.0442117500000000, 0.0171653200000000, 0.0166401100000000 ] - [ -0.0435060300000000, 0.0194285200000000, 0.0200282100000000 ] - [ 0.0430982000000000, 0.0183866900000000, -0.0215584700000000 ] - [ 0.0431647400000000, 0.0185535700000000, -0.0214102500000000 ] - [ 0.0430188100000000, -0.0185498400000000, -0.0268542300000000 ] - [ 0.0434947000000000, -0.0188848000000000, -0.0268922000000000 ] - [ -0.0434155700000000, -0.0192636500000000, 0.0269149600000000 ] - [ -0.0435157900000000, -0.0188115900000000, 0.0268803000000000 ] - [ -0.0284175700000000, 0.0082273800000000, 0.0063062500000000 ] - [ -0.0436595600000000, 0.0184222700000000, 0.0261526700000000 ] - [ 0.0378805300000000, 0.0313747900000000, -0.0367453400000000 ] - [ 0.0436795800000000, 0.0189888600000000, -0.0277230200000000 ] - [ 0.0156869500000000, -0.0333410800000000, 0.0305050400000000 ] - [ 0.0157655500000000, -0.0330162600000000, 0.0305259100000000 ] - [ -0.0157936200000000, 0.0336217200000000, -0.0312063400000000 ] - [ -0.0158665800000000, 0.0336135700000000, -0.0313480400000000 ] - [ 0.0158677700000000, 0.0336652200000000, 0.0314109400000000 ] - [ 0.0158982600000000, 0.0336150400000000, 0.0313867300000000 ] - [ 0.0207111300000000, -0.0491164600000000, 0.0058041400000000 ] - [ 0.0207009500000000, -0.0491499200000000, 0.0057754600000000 ] - [ 0.0816564900000000, 0.0152542400000000, -0.0154616100000000 ] - [ 0.0797263400000000, 0.0161865400000000, -0.0143823600000000 ] - [ 0.1193274300000000, 0.0075637200000000, 0.0569008600000000 ] - [ 0.1315380500000000, 0.0056899500000000, 0.0086808300000000 ] - [ 0.1315934900000000, -0.0057323300000000, 0.0082563200000000 ] - [ 0.1316688700000000, -0.0059332800000000, 0.0082966400000000 ] - [ -0.1316321000000000, -0.0058672700000000, -0.0095045100000000 ] - [ -0.1315583200000000, -0.0057708700000000, -0.0083784000000000 ] - [ -0.1315676000000000, 0.0070996800000000, -0.0078800400000000 ] - [ -0.1308546400000000, 0.0048036100000000, -0.0078802800000000 ] - [ -0.0783077300000000, 0.0132596600000000, 0.0150777200000000 ] - [ -0.0780521200000000, 0.0171932300000000, 0.0150225900000000 ] - [ -0.0789810500000000, -0.0157536200000000, 0.0141490300000000 ] - [ -0.0790445200000000, -0.0157621700000000, 0.0142872200000000 ] - [ 0.0787273700000000, -0.0155927800000000, -0.0145290300000000 ] - [ 0.0789678200000000, -0.0158121200000000, -0.0143993800000000 ] - [ -0.0244940000000000, -0.0061915000000000, -0.0640422300000000 ] - [ -0.0245021200000000, -0.0058510000000000, -0.0639765200000000 ] - [ 0.0267731700000000, -0.0057352000000000, 0.0650157500000000 ] - [ 0.0254886400000000, -0.0066167900000000, 0.0647594300000000 ] - [ 0.0245582800000000, 0.0060062900000000, 0.0640262000000000 ] - [ 0.0244686900000000, 0.0060204100000000, 0.0640597400000000 ] - [ -0.0244504200000000, 0.0059938900000000, -0.0642865800000000 ] - [ -0.0244606200000000, 0.0060431900000000, -0.0641165100000000 ] - [ -0.0211489300000000, -0.1935865300000000, 0.0707578600000000 ] - [ -0.0212090400000000, -0.1934816700000000, 0.0706172800000000 ] - [ 0.0212315300000000, -0.1935964600000000, -0.0709004700000000 ] - [ 0.0212120000000000, -0.1936570600000000, -0.0707543700000000 ] - [ 0.0197496500000000, 0.1918742700000000, -0.0707327600000000 ] - [ 0.0204394600000000, 0.1936846200000000, -0.0707328100000000 ] - [ -0.0210152700000000, 0.1934653500000000, 0.0715868200000000 ] - [ -0.0209960900000000, 0.1935243000000000, 0.0709130600000000 ] - [ 0.0568770900000000, -0.0154629700000000, -0.0080236400000000 ] - [ 0.0565283000000000, -0.0155500500000000, -0.0079384200000000 ] - [ -0.0569029200000000, -0.0153224700000000, 0.0085510400000000 ] - [ -0.0570526600000000, -0.0154796000000000, 0.0086071700000000 ] - [ -0.0568454500000000, 0.0155310300000000, 0.0081322600000000 ] - [ -0.0568860600000000, 0.0155378800000000, 0.0081668600000000 ] - [ 0.0568489200000000, 0.0155186100000000, -0.0082662800000000 ] - [ 0.0568800800000000, 0.0155226800000000, -0.0082503100000000 ] - [ -0.0095327200000000, 0.2020684100000000, 0.0795080700000000 ] - [ -0.0096096300000000, 0.2019471500000000, 0.0797098100000000 ] - [ 0.0096551200000000, 0.2020688900000000, -0.0799611300000000 ] - [ 0.0095670400000000, 0.2020967600000000, -0.0798508800000000 ] - [ 0.0094658400000000, -0.2001429800000000, -0.0798130800000000 ] - [ 0.0092156700000000, -0.2024462700000000, -0.0799107500000000 ] - [ -0.0106212900000000, -0.2018508500000000, 0.0812369700000000 ] - [ -0.0095376900000000, -0.2020474900000000, 0.0799578900000000 ]- atom: 81 displacement: [ 0.0099999992956673, 0.0000000000000000, 0.0000037532191477 ] forces: - [ 0.0014093500000000, 0.0074485500000000, -0.0168018400000000 ] - [ -0.0067116300000000, 0.0070723500000000, -0.0165636100000000 ] - [ -0.0065345500000000, -0.0071888500000000, -0.0167833600000000 ] - [ -0.0065506000000000, -0.0072520100000000, -0.0167514700000000 ] - [ 0.0066393300000000, -0.0072148800000000, 0.0167404000000000 ] - [ 0.0076218800000000, -0.0072414600000000, 0.0166562300000000 ] - [ 0.0068562900000000, 0.0073106100000000, 0.0166062900000000 ] - [ 0.0068437800000000, 0.0071582100000000, 0.0167076000000000 ] - [ -0.0015904400000000, -0.0002015900000000, -0.0051158500000000 ] - [ -0.0016643600000000, -0.0003166700000000, -0.0052337800000000 ] - [ 0.0012745700000000, -0.0003879000000000, 0.0053386300000000 ] - [ 0.0012854200000000, -0.0001669100000000, 0.0053687600000000 ] - [ 0.0014438000000000, 0.0002676100000000, 0.0053869300000000 ] - [ 0.0014483700000000, 0.0002901000000000, 0.0054391300000000 ] - [ -0.0015492100000000, 0.0003305200000000, -0.0055456700000000 ] - [ -0.0015447000000000, 0.0002599700000000, -0.0055242600000000 ] - [ 0.0120010900000000, -0.0065931600000000, 0.0016325900000000 ] - [ 0.0118645300000000, -0.0067046200000000, 0.0016922000000000 ] - [ -0.0117430100000000, -0.0066774300000000, -0.0015503700000000 ] - [ -0.0118528900000000, -0.0067576000000000, -0.0015070400000000 ] - [ -0.0117189100000000, 0.0067005700000000, -0.0015952300000000 ] - [ -0.0120484900000000, 0.0066320700000000, -0.0018205100000000 ] - [ 0.0114643100000000, 0.0068919500000000, 0.0014906200000000 ] - [ 0.0119473600000000, 0.0064953000000000, 0.0016638100000000 ] - [ -0.0001044400000000, -0.0040869200000000, 0.0089639400000000 ] - [ -0.0001113400000000, -0.0040529200000000, 0.0089170100000000 ] - [ 0.0000903900000000, -0.0041621600000000, -0.0090358700000000 ] - [ 0.0034859700000000, -0.0047733200000000, -0.0073320200000000 ] - [ -0.0000606800000000, 0.0040157900000000, -0.0087479600000000 ] - [ 0.0000077100000000, 0.0040703100000000, -0.0088506200000000 ] - [ -0.0002883200000000, 0.0040753200000000, 0.0085962000000000 ] - [ -0.0001318500000000, 0.0040379900000000, 0.0088679000000000 ] - [ -0.0149991400000000, -0.0340606800000000, -0.0313864700000000 ] - [ -0.0115773500000000, -0.0396030500000000, -0.0351437300000000 ] - [ -0.0207014300000000, -0.0490378500000000, -0.0057963300000000 ] - [ -0.0205609800000000, -0.0492440800000000, -0.0056362000000000 ] - [ -0.0212204700000000, 0.0486861200000000, -0.0058495800000000 ] - [ -0.0214899400000000, 0.0488265000000000, -0.0057898200000000 ] - [ 0.0278808700000000, 0.0456025200000000, 0.0148051100000000 ] - [ 0.0222458500000000, 0.0487293600000000, 0.0051293400000000 ] - [ 0.0435757000000000, -0.0189858900000000, -0.0208456400000000 ] - [ 0.0435882200000000, -0.0189658600000000, -0.0210068200000000 ] - [ -0.0436694600000000, -0.0189773200000000, 0.0209018200000000 ] - [ -0.0439631900000000, -0.0193590600000000, 0.0209428300000000 ] - [ -0.0439286400000000, 0.0188570200000000, 0.0209390100000000 ] - [ -0.0438815200000000, 0.0192015100000000, 0.0209508500000000 ] - [ 0.0663407700000000, 0.0282903800000000, -0.0323848800000000 ] - [ 0.0442320600000000, 0.0189363100000000, -0.0208338600000000 ] - [ 0.0434998500000000, -0.0187971700000000, -0.0268890000000000 ] - [ 0.0434559100000000, -0.0188770300000000, -0.0268766200000000 ] - [ -0.0435507100000000, -0.0188078000000000, 0.0268947900000000 ] - [ -0.0435141900000000, -0.0188423300000000, 0.0270479100000000 ] - [ -0.0433811600000000, 0.0192329800000000, 0.0273839500000000 ] - [ -0.0435291400000000, 0.0195358100000000, 0.0275851200000000 ] - [ 0.0426826800000000, 0.0174468700000000, -0.0257978600000000 ] - [ 0.0429768100000000, 0.0187255300000000, -0.0265959000000000 ] - [ 0.0149895200000000, -0.0333325900000000, 0.0320556300000000 ] - [ 0.0156384900000000, -0.0337047800000000, 0.0313379500000000 ] - [ -0.0158217800000000, 0.0335521100000000, -0.0314078500000000 ] - [ -0.0157349900000000, 0.0335677400000000, -0.0314537700000000 ] - [ 0.0157999700000000, 0.0339087400000000, 0.0314306100000000 ] - [ 0.0158119900000000, 0.0336140000000000, 0.0313523200000000 ] - [ 0.0207663300000000, -0.0488459600000000, 0.0059533900000000 ] - [ 0.0208564100000000, -0.0491589500000000, 0.0058025000000000 ] - [ 0.0790665300000000, 0.0172277500000000, -0.0141672700000000 ] - [ 0.0790189900000000, 0.0140871300000000, -0.0146296900000000 ] - [ 0.1318946400000000, 0.0055402200000000, 0.0083398600000000 ] - [ 0.1315758000000000, 0.0057651300000000, 0.0083459800000000 ] - [ 0.1316749300000000, -0.0057560700000000, 0.0083022500000000 ] - [ 0.1318249500000000, -0.0057332400000000, 0.0082935300000000 ] - [ -0.1316006600000000, -0.0058036500000000, -0.0083997400000000 ] - [ -0.1315393400000000, -0.0057908900000000, -0.0083099300000000 ] - [ -0.1285597300000000, 0.0076468800000000, -0.0106094600000000 ] - [ -0.1311690600000000, 0.0053774700000000, -0.0093288800000000 ] - [ -0.0780549600000000, 0.0156837500000000, 0.0137346000000000 ] - [ -0.0788266800000000, 0.0157898500000000, 0.0143670100000000 ] - [ -0.0789826600000000, -0.0157774200000000, 0.0144034500000000 ] - [ -0.0789119400000000, -0.0156741400000000, 0.0144313800000000 ] - [ 0.0790275700000000, -0.0158193900000000, -0.0143542400000000 ] - [ 0.0796077400000000, -0.0161561600000000, -0.0143241800000000 ] - [ -0.0778178000000000, -0.0056855000000000, -0.0622252300000000 ] - [ -0.0250934100000000, -0.0059535700000000, -0.0641051000000000 ] - [ 0.0247114500000000, -0.0058412200000000, 0.0640750400000000 ] - [ 0.0247107600000000, -0.0062295300000000, 0.0642449600000000 ] - [ 0.0245802300000000, 0.0060167300000000, 0.0641219700000000 ] - [ 0.0254188100000000, 0.0064188600000000, 0.0635673300000000 ] - [ -0.0250397400000000, 0.0060850000000000, -0.0644553600000000 ] - [ -0.0246071500000000, 0.0059534800000000, -0.0641312000000000 ] - [ -0.0209268700000000, -0.1934322700000000, 0.0713419400000000 ] - [ -0.0211460500000000, -0.1935306200000000, 0.0708053700000000 ] - [ 0.0212130700000000, -0.1937467900000000, -0.0708244300000000 ] - [ 0.0211999800000000, -0.1935555000000000, -0.0708125100000000 ] - [ 0.0212777900000000, 0.1936645200000000, -0.0708411100000000 ] - [ 0.0216191600000000, 0.1937585200000000, -0.0708151100000000 ] - [ -0.0206563900000000, 0.1946655500000000, 0.0706205300000000 ] - [ -0.0210987200000000, 0.1928405000000000, 0.0704293200000000 ] - [ 0.0570383200000000, -0.0173169400000000, -0.0070349100000000 ] - [ 0.0562866700000000, -0.0127931500000000, -0.0069975300000000 ] - [ -0.0551807500000000, -0.0161065100000000, 0.0102857200000000 ] - [ -0.0567404300000000, -0.0150704300000000, 0.0087783900000000 ] - [ -0.0569480700000000, 0.0152566600000000, 0.0080423900000000 ] - [ -0.0569249600000000, 0.0156863300000000, 0.0081574300000000 ] - [ 0.0568066500000000, 0.0155158700000000, -0.0081925200000000 ] - [ 0.0567210100000000, 0.0155379500000000, -0.0081426300000000 ] - [ -0.0095704100000000, 0.2020204100000000, 0.0798506600000000 ] - [ -0.0098682600000000, 0.2019135200000000, 0.0799413800000000 ] - [ 0.0096155700000000, 0.2020882600000000, -0.0798219400000000 ] - [ 0.0096806200000000, 0.2021057800000000, -0.0798560100000000 ] - [ 0.0108709200000000, -0.2019737500000000, -0.0795640600000000 ] - [ 0.0097143200000000, -0.2019558400000000, -0.0798214300000000 ] - [ -0.0095387200000000, -0.2017685700000000, 0.0790523000000000 ] - [ -0.0106497600000000, -0.2025669000000000, 0.0801040900000000 ]- atom: 81 displacement: [ -0.0099999992956673, 0.0000000000000000, -0.0000037532191477 ] forces: - [ -0.0149458400000000, 0.0070009100000000, -0.0167189900000000 ] - [ -0.0064756700000000, 0.0073748000000000, -0.0169431900000000 ] - [ -0.0066526000000000, -0.0072623200000000, -0.0167223800000000 ] - [ -0.0066365500000000, -0.0071995100000000, -0.0167537300000000 ] - [ 0.0065482200000000, -0.0072337300000000, 0.0167659000000000 ] - [ 0.0055649400000000, -0.0072136800000000, 0.0168653300000000 ] - [ 0.0063296200000000, 0.0071428800000000, 0.0168965700000000 ] - [ 0.0063442800000000, 0.0072921900000000, 0.0167975000000000 ] - [ -0.0014010500000000, -0.0003487000000000, -0.0056560100000000 ] - [ -0.0013285200000000, -0.0002339200000000, -0.0055402300000000 ] - [ 0.0017189300000000, -0.0001640100000000, 0.0054338200000000 ] - [ 0.0017076900000000, -0.0003817700000000, 0.0054047600000000 ] - [ 0.0015477800000000, 0.0002826300000000, 0.0053859000000000 ] - [ 0.0015436600000000, 0.0002603400000000, 0.0053338700000000 ] - [ -0.0014428500000000, 0.0002190800000000, -0.0052255200000000 ] - [ -0.0014472100000000, 0.0002909800000000, -0.0052481900000000 ] - [ 0.0113283700000000, -0.0067653800000000, 0.0014674900000000 ] - [ 0.0114645800000000, -0.0066532500000000, 0.0014101600000000 ] - [ -0.0115858200000000, -0.0066799600000000, -0.0015509700000000 ] - [ -0.0114757100000000, -0.0065978300000000, -0.0015936700000000 ] - [ -0.0116091900000000, 0.0066567900000000, -0.0015062600000000 ] - [ -0.0112807900000000, 0.0067254000000000, -0.0012823400000000 ] - [ 0.0118694600000000, 0.0064393700000000, 0.0015918200000000 ] - [ 0.0113816100000000, 0.0068606900000000, 0.0014386800000000 ] - [ 0.0000514200000000, -0.0040136300000000, 0.0088341600000000 ] - [ 0.0000583900000000, -0.0040471500000000, 0.0088807200000000 ] - [ -0.0000383500000000, -0.0039375300000000, -0.0087608900000000 ] - [ -0.0033414900000000, -0.0033582900000000, -0.0103932100000000 ] - [ 0.0001143400000000, 0.0040851900000000, -0.0090527700000000 ] - [ 0.0000452700000000, 0.0040295300000000, -0.0089488300000000 ] - [ 0.0002349900000000, 0.0040261400000000, 0.0092023700000000 ] - [ 0.0000793000000000, 0.0040639400000000, 0.0089317400000000 ] - [ -0.0167570100000000, -0.0331279500000000, -0.0313891100000000 ] - [ -0.0202228100000000, -0.0274579300000000, -0.0275830000000000 ] - [ -0.0206583300000000, -0.0492552100000000, -0.0057545000000000 ] - [ -0.0207992800000000, -0.0490494300000000, -0.0059146500000000 ] - [ -0.0201426100000000, 0.0496105200000000, -0.0057056800000000 ] - [ -0.0198719700000000, 0.0494658100000000, -0.0057573600000000 ] - [ 0.0135302900000000, 0.0527656200000000, -0.0033263200000000 ] - [ 0.0191155700000000, 0.0495614900000000, 0.0064187200000000 ] - [ 0.0436025800000000, -0.0188750000000000, -0.0210614800000000 ] - [ 0.0435920500000000, -0.0188919600000000, -0.0208981700000000 ] - [ -0.0435108800000000, -0.0188803400000000, 0.0210033200000000 ] - [ -0.0432165000000000, -0.0184971500000000, 0.0209631400000000 ] - [ -0.0432507000000000, 0.0190001100000000, 0.0209666600000000 ] - [ -0.0432977600000000, 0.0186574500000000, 0.0209560500000000 ] - [ 0.0214617700000000, 0.0100538200000000, -0.0099835700000000 ] - [ 0.0429455400000000, 0.0189237900000000, -0.0210686000000000 ] - [ 0.0435827400000000, -0.0188585600000000, -0.0268956500000000 ] - [ 0.0436271400000000, -0.0187777200000000, -0.0269081000000000 ] - [ -0.0435325700000000, -0.0188472000000000, 0.0268904100000000 ] - [ -0.0435676700000000, -0.0188128700000000, 0.0267359200000000 ] - [ -0.0436988700000000, 0.0184225400000000, 0.0263895600000000 ] - [ -0.0435548500000000, 0.0181191700000000, 0.0261998300000000 ] - [ 0.0444042300000000, 0.0202040300000000, -0.0279841900000000 ] - [ 0.0441102200000000, 0.0189280800000000, -0.0271907800000000 ] - [ 0.0167578200000000, -0.0338597600000000, 0.0307214600000000 ] - [ 0.0161130300000000, -0.0334894400000000, 0.0314383700000000 ] - [ -0.0159296100000000, 0.0336409000000000, -0.0313660300000000 ] - [ -0.0160169100000000, 0.0336267100000000, -0.0313223500000000 ] - [ 0.0159511000000000, 0.0332848300000000, 0.0313442600000000 ] - [ 0.0159394800000000, 0.0335799800000000, 0.0314227700000000 ] - [ 0.0205953500000000, -0.0494486200000000, 0.0055981800000000 ] - [ 0.0205026700000000, -0.0491357200000000, 0.0057475200000000 ] - [ 0.0790329800000000, 0.0142960800000000, -0.0145526800000000 ] - [ 0.0790882400000000, 0.0174282200000000, -0.0141019000000000 ] - [ 0.1312635900000000, 0.0060590300000000, 0.0082953400000000 ] - [ 0.1315799600000000, 0.0058328600000000, 0.0082896900000000 ] - [ 0.1314850000000000, -0.0058447100000000, 0.0083306800000000 ] - [ 0.1313361200000000, -0.0058667500000000, 0.0083398400000000 ] - [ -0.1315603900000000, -0.0057969200000000, -0.0082331300000000 ] - [ -0.1316208800000000, -0.0058088100000000, -0.0083238300000000 ] - [ -0.1345642200000000, 0.0039602600000000, -0.0060368500000000 ] - [ -0.1319898000000000, 0.0062078500000000, -0.0073045500000000 ] - [ -0.0800477400000000, 0.0158462700000000, 0.0149898400000000 ] - [ -0.0792807400000000, 0.0157424400000000, 0.0143640300000000 ] - [ -0.0791241700000000, -0.0157542900000000, 0.0143264500000000 ] - [ -0.0791951300000000, -0.0158583400000000, 0.0142979400000000 ] - [ 0.0790789800000000, -0.0157125700000000, -0.0143767000000000 ] - [ 0.0784985900000000, -0.0153732100000000, -0.0144013200000000 ] - [ 0.0284651800000000, -0.0069722400000000, -0.0656220700000000 ] - [ -0.0238560300000000, -0.0060969900000000, -0.0641677900000000 ] - [ 0.0242394100000000, -0.0062056600000000, 0.0642002500000000 ] - [ 0.0242388800000000, -0.0058178500000000, 0.0640321100000000 ] - [ 0.0243700200000000, 0.0060307400000000, 0.0641533100000000 ] - [ 0.0235288500000000, 0.0056275200000000, 0.0647108300000000 ] - [ -0.0239139100000000, 0.0059674300000000, -0.0638182500000000 ] - [ -0.0243430700000000, 0.0060934800000000, -0.0641425500000000 ] - [ -0.0213141800000000, -0.1937110300000000, 0.0702525800000000 ] - [ -0.0210960300000000, -0.1936143700000000, 0.0707787500000000 ] - [ 0.0210297600000000, -0.1933989000000000, -0.0707601900000000 ] - [ 0.0210422000000000, -0.1935912700000000, -0.0707723200000000 ] - [ 0.0209644600000000, 0.1934794700000000, -0.0707437200000000 ] - [ 0.0206220200000000, 0.1933866800000000, -0.0707720600000000 ] - [ -0.0215730700000000, 0.1924727400000000, 0.0709741600000000 ] - [ -0.0211465200000000, 0.1942957600000000, 0.0711558000000000 ] - [ 0.0566966200000000, -0.0137850200000000, -0.0093508600000000 ] - [ 0.0574467700000000, -0.0183177500000000, -0.0093913000000000 ] - [ -0.0585410400000000, -0.0150014900000000, 0.0060937000000000 ] - [ -0.0569945200000000, -0.0160417400000000, 0.0076070600000000 ] - [ -0.0567836100000000, 0.0158498200000000, 0.0083471900000000 ] - [ -0.0568071500000000, 0.0154213700000000, 0.0082319700000000 ] - [ 0.0569251800000000, 0.0155922600000000, -0.0081968100000000 ] - [ 0.0570104900000000, 0.0155698000000000, -0.0082459500000000 ] - [ -0.0096055000000000, 0.2020386700000000, 0.0797570300000000 ] - [ -0.0093129400000000, 0.2021474000000000, 0.0796686900000000 ] - [ 0.0095607500000000, 0.2019715700000000, -0.0797864300000000 ] - [ 0.0094951400000000, 0.2019538800000000, -0.0797516800000000 ] - [ 0.0083079800000000, -0.2020829600000000, -0.0800446300000000 ] - [ 0.0094623900000000, -0.2020995800000000, -0.0797877800000000 ] - [ -0.0096410800000000, -0.2022818500000000, 0.0805505400000000 ] - [ -0.0085323000000000, -0.2014774900000000, 0.0795073500000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0068907700000000, 0.0070659800000000, -0.0169844200000000 ] - [ -0.0066703500000000, 0.0066585700000000, -0.0167988400000000 ] - [ -0.0066160000000000, -0.0071748200000000, -0.0167875900000000 ] - [ -0.0065959500000000, -0.0072541700000000, -0.0167203100000000 ] - [ 0.0065723100000000, -0.0073057800000000, 0.0167112700000000 ] - [ 0.0069547100000000, -0.0069335800000000, 0.0164344400000000 ] - [ 0.0066764500000000, 0.0071169800000000, 0.0170714900000000 ] - [ 0.0064191000000000, 0.0071646100000000, 0.0165214600000000 ] - [ -0.0015229200000000, 0.0000354300000000, -0.0053952600000000 ] - [ -0.0013589700000000, -0.0004908200000000, -0.0053221000000000 ] - [ 0.0013134600000000, -0.0001505000000000, 0.0053768200000000 ] - [ 0.0017808100000000, -0.0002872800000000, 0.0052642600000000 ] - [ 0.0015010400000000, 0.0002463800000000, 0.0053872900000000 ] - [ 0.0015499200000000, 0.0002956400000000, 0.0054158000000000 ] - [ -0.0015170000000000, 0.0003701200000000, -0.0056199600000000 ] - [ -0.0014539100000000, 0.0002286800000000, -0.0051531000000000 ] - [ 0.0117613000000000, -0.0064798000000000, 0.0015872500000000 ] - [ 0.0115745800000000, -0.0068068500000000, 0.0015229100000000 ] - [ -0.0114901400000000, -0.0066438400000000, -0.0016980800000000 ] - [ -0.0118792300000000, -0.0066868000000000, -0.0014717200000000 ] - [ -0.0116787000000000, 0.0066537400000000, -0.0015435900000000 ] - [ -0.0117170900000000, 0.0066715000000000, -0.0015707700000000 ] - [ 0.0112166200000000, 0.0114133300000000, 0.0047542500000000 ] - [ 0.0116412400000000, 0.0063938600000000, 0.0017894600000000 ] - [ -0.0000279800000000, -0.0040316300000000, 0.0089507400000000 ] - [ -0.0000318100000000, -0.0040658800000000, 0.0089146500000000 ] - [ 0.0000629500000000, -0.0044551200000000, -0.0090563100000000 ] - [ -0.0004869200000000, -0.0041589100000000, -0.0092844700000000 ] - [ -0.0001010100000000, 0.0038345800000000, -0.0086381100000000 ] - [ 0.0001594900000000, 0.0040497000000000, -0.0090651100000000 ] - [ -0.0000363400000000, 0.0040778900000000, 0.0088610200000000 ] - [ -0.0000180300000000, 0.0039913100000000, 0.0088309500000000 ] - [ -0.0151168300000000, -0.0343207600000000, -0.0310377600000000 ] - [ -0.0211172300000000, 0.0056874700000000, -0.0143129100000000 ] - [ -0.0206349900000000, -0.0493963000000000, -0.0057350600000000 ] - [ -0.0206627300000000, -0.0491334600000000, -0.0057302400000000 ] - [ -0.0200375200000000, 0.0494734700000000, -0.0042582500000000 ] - [ -0.0210861200000000, 0.0493600900000000, -0.0062131300000000 ] - [ 0.0150740700000000, 0.0592010800000000, -0.0075992600000000 ] - [ 0.0214575000000000, 0.0483928900000000, 0.0057170600000000 ] - [ 0.0437032100000000, -0.0187537600000000, -0.0206347700000000 ] - [ 0.0436357100000000, -0.0189381100000000, -0.0209738900000000 ] - [ -0.0435795700000000, -0.0189382000000000, 0.0209776800000000 ] - [ -0.0437345100000000, -0.0191018900000000, 0.0209829800000000 ] - [ -0.0436614600000000, 0.0188887400000000, 0.0214245600000000 ] - [ -0.0435340300000000, 0.0188939400000000, 0.0208305300000000 ] - [ 0.0553787700000000, 0.0286452300000000, -0.0272516200000000 ] - [ 0.0428458300000000, 0.0181152800000000, -0.0212312800000000 ] - [ 0.0435673500000000, -0.0186842700000000, -0.0269113600000000 ] - [ 0.0435145100000000, -0.0189340600000000, -0.0268641200000000 ] - [ -0.0435455400000000, -0.0188316400000000, 0.0268196600000000 ] - [ -0.0434639200000000, -0.0189733600000000, 0.0269361600000000 ] - [ -0.0437377900000000, 0.0189175300000000, 0.0277519000000000 ] - [ -0.0426648100000000, 0.0192379300000000, 0.0265396100000000 ] - [ 0.0435207000000000, 0.0190522000000000, -0.0270695800000000 ] - [ 0.0434588200000000, 0.0190033400000000, -0.0265918300000000 ] - [ 0.0157187800000000, -0.0334687300000000, 0.0312940100000000 ] - [ 0.0159398000000000, -0.0335706500000000, 0.0314477000000000 ] - [ -0.0158964000000000, 0.0336167700000000, -0.0314361400000000 ] - [ -0.0159132500000000, 0.0335782200000000, -0.0312580900000000 ] - [ 0.0159978400000000, 0.0338950800000000, 0.0313517400000000 ] - [ 0.0158183700000000, 0.0333970700000000, 0.0314212600000000 ] - [ 0.0204541700000000, -0.0488651300000000, 0.0056638700000000 ] - [ 0.0206904700000000, -0.0492848000000000, 0.0058138600000000 ] - [ 0.0809209400000000, 0.0179433600000000, -0.0152287000000000 ] - [ 0.0776450800000000, 0.0177514300000000, -0.0140014300000000 ] - [ 0.1316591700000000, 0.0056760400000000, 0.0084846900000000 ] - [ 0.1313721700000000, 0.0059487500000000, 0.0081430000000000 ] - [ 0.1316252200000000, -0.0057134200000000, 0.0083363900000000 ] - [ 0.1316225500000000, -0.0058608800000000, 0.0082874500000000 ] - [ -0.1315362700000000, -0.0057892900000000, -0.0082981100000000 ] - [ -0.1316040200000000, -0.0057873300000000, -0.0083138700000000 ] - [ -0.1318875600000000, 0.0054673700000000, -0.0080345100000000 ] - [ -0.1309955800000000, 0.0065562700000000, -0.0089072700000000 ] - [ -0.0789454800000000, 0.0162025200000000, 0.0142870500000000 ] - [ -0.0790566000000000, 0.0158034300000000, 0.0144327800000000 ] - [ -0.0790525000000000, -0.0158537300000000, 0.0144169200000000 ] - [ -0.0791588900000000, -0.0156859200000000, 0.0142887200000000 ] - [ 0.0790048600000000, -0.0157441300000000, -0.0142216600000000 ] - [ 0.0787079000000000, -0.0163747100000000, -0.0142612500000000 ] - [ -0.0240440900000000, -0.0815024500000000, -0.0618992700000000 ] - [ -0.0244039900000000, -0.0063186000000000, -0.0641358600000000 ] - [ 0.0246819100000000, -0.0060028300000000, 0.0638619800000000 ] - [ 0.0242922500000000, -0.0060017600000000, 0.0643085900000000 ] - [ 0.0244681900000000, 0.0060986300000000, 0.0641462000000000 ] - [ 0.0248699800000000, 0.0060962700000000, 0.0639315500000000 ] - [ -0.0245333200000000, 0.0059088100000000, -0.0644577700000000 ] - [ -0.0244050200000000, 0.0062566300000000, -0.0640990600000000 ] - [ -0.0209211900000000, -0.1938089800000000, 0.0706810300000000 ] - [ -0.0211148700000000, -0.1934666500000000, 0.0707820500000000 ] - [ 0.0210599700000000, -0.1935798200000000, -0.0708193700000000 ] - [ 0.0211420700000000, -0.1934669900000000, -0.0707862200000000 ] - [ 0.0207187400000000, 0.1936102800000000, -0.0710962900000000 ] - [ 0.0211996700000000, 0.1935100600000000, -0.0704604800000000 ] - [ -0.0198861300000000, 0.1947158600000000, 0.0684914300000000 ] - [ -0.0216687000000000, 0.1943974200000000, 0.0717880000000000 ] - [ 0.0535790000000000, -0.0132630300000000, -0.0106937200000000 ] - [ 0.0570215500000000, -0.0130619600000000, -0.0074433300000000 ] - [ -0.0565232900000000, -0.0160812700000000, 0.0088346800000000 ] - [ -0.0572598100000000, -0.0149019700000000, 0.0078553400000000 ] - [ -0.0572440400000000, 0.0157372600000000, 0.0082326700000000 ] - [ -0.0568174700000000, 0.0156836900000000, 0.0081489700000000 ] - [ 0.0568540600000000, 0.0156400500000000, -0.0081738200000000 ] - [ 0.0569725400000000, 0.0154461700000000, -0.0082147200000000 ] - [ -0.0095975600000000, 0.2019843300000000, 0.0799510700000000 ] - [ -0.0096655700000000, 0.2021223300000000, 0.0794397000000000 ] - [ 0.0095022400000000, 0.2020033800000000, -0.0797222700000000 ] - [ 0.0096512200000000, 0.2020677900000000, -0.0798882000000000 ] - [ 0.0095820200000000, -0.2020417600000000, -0.0797803700000000 ] - [ 0.0096227800000000, -0.2017883800000000, -0.0799360100000000 ] - [ -0.0093834500000000, -0.2019500000000000, 0.0796861200000000 ] - [ -0.0095507200000000, -0.2000859700000000, 0.0799095900000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0062616300000000, 0.0073689300000000, -0.0165189900000000 ] - [ -0.0065189800000000, 0.0077894100000000, -0.0167080400000000 ] - [ -0.0065717400000000, -0.0072770400000000, -0.0167166800000000 ] - [ -0.0065916900000000, -0.0071972300000000, -0.0167855700000000 ] - [ 0.0066147800000000, -0.0071425300000000, 0.0167957600000000 ] - [ 0.0062388700000000, -0.0075186300000000, 0.0170613000000000 ] - [ 0.0065101900000000, 0.0073349600000000, 0.0164298800000000 ] - [ 0.0067679700000000, 0.0072861300000000, 0.0169848400000000 ] - [ -0.0014681500000000, -0.0005860100000000, -0.0053788800000000 ] - [ -0.0016310600000000, -0.0000596200000000, -0.0054521700000000 ] - [ 0.0016796200000000, -0.0004003200000000, 0.0053962200000000 ] - [ 0.0012115000000000, -0.0002633000000000, 0.0055096200000000 ] - [ 0.0014909300000000, 0.0003042000000000, 0.0053856900000000 ] - [ 0.0014418000000000, 0.0002545100000000, 0.0053576500000000 ] - [ -0.0014742800000000, 0.0001800000000000, -0.0051520800000000 ] - [ -0.0015376000000000, 0.0003225500000000, -0.0056193300000000 ] - [ 0.0115671400000000, -0.0068781700000000, 0.0015122100000000 ] - [ 0.0117535500000000, -0.0065510700000000, 0.0015770900000000 ] - [ -0.0118402400000000, -0.0067123600000000, -0.0014032200000000 ] - [ -0.0114488800000000, -0.0066693900000000, -0.0016294500000000 ] - [ -0.0116499100000000, 0.0067039300000000, -0.0015585900000000 ] - [ -0.0116122400000000, 0.0066860500000000, -0.0015326200000000 ] - [ 0.0121023500000000, 0.0020886000000000, -0.0015335300000000 ] - [ 0.0116861800000000, 0.0069678100000000, 0.0013142500000000 ] - [ -0.0000251000000000, -0.0040686400000000, 0.0088469700000000 ] - [ -0.0000213500000000, -0.0040333700000000, 0.0088831700000000 ] - [ -0.0000094900000000, -0.0036455600000000, -0.0087413000000000 ] - [ 0.0005250800000000, -0.0039365800000000, -0.0085190300000000 ] - [ 0.0001546100000000, 0.0042650400000000, -0.0091622600000000 ] - [ -0.0001054700000000, 0.0040500700000000, -0.0087349300000000 ] - [ -0.0000161600000000, 0.0040227300000000, 0.0089381700000000 ] - [ -0.0000342700000000, 0.0041100700000000, 0.0089683500000000 ] - [ -0.0166259800000000, -0.0328695800000000, -0.0317377400000000 ] - [ -0.0103779200000000, -0.0743931900000000, -0.0492147500000000 ] - [ -0.0207250800000000, -0.0488963300000000, -0.0058157000000000 ] - [ -0.0206973900000000, -0.0491599000000000, -0.0058215600000000 ] - [ -0.0213383500000000, 0.0488295200000000, -0.0072931800000000 ] - [ -0.0202758600000000, 0.0489306100000000, -0.0053379600000000 ] - [ 0.0261869700000000, 0.0391015600000000, 0.0189003600000000 ] - [ 0.0198986700000000, 0.0498994800000000, 0.0058346300000000 ] - [ 0.0434760900000000, -0.0191037700000000, -0.0212720900000000 ] - [ 0.0435453200000000, -0.0189193800000000, -0.0209301000000000 ] - [ -0.0436011700000000, -0.0189195000000000, 0.0209270500000000 ] - [ -0.0434451100000000, -0.0187538000000000, 0.0209218300000000 ] - [ -0.0435179800000000, 0.0189700700000000, 0.0204853300000000 ] - [ -0.0436461500000000, 0.0189627800000000, 0.0210748700000000 ] - [ 0.0320434400000000, 0.0092121800000000, -0.0147814200000000 ] - [ 0.0443326700000000, 0.0197368100000000, -0.0206741100000000 ] - [ 0.0435157500000000, -0.0189715600000000, -0.0268736100000000 ] - [ 0.0435688900000000, -0.0187207400000000, -0.0269205400000000 ] - [ -0.0435371100000000, -0.0188239900000000, 0.0269652000000000 ] - [ -0.0436208500000000, -0.0186813800000000, 0.0268491600000000 ] - [ -0.0433436300000000, 0.0187345300000000, 0.0260305700000000 ] - [ -0.0444124300000000, 0.0184172000000000, 0.0272470000000000 ] - [ 0.0435613900000000, 0.0186019700000000, -0.0267181500000000 ] - [ 0.0436280000000000, 0.0186524800000000, -0.0271933300000000 ] - [ 0.0160290700000000, -0.0337232600000000, 0.0314813200000000 ] - [ 0.0158090700000000, -0.0336247400000000, 0.0313298000000000 ] - [ -0.0158547300000000, 0.0335770000000000, -0.0313378200000000 ] - [ -0.0158367500000000, 0.0336170100000000, -0.0315176200000000 ] - [ 0.0157523800000000, 0.0332973900000000, 0.0314238700000000 ] - [ 0.0159331600000000, 0.0337981900000000, 0.0313538400000000 ] - [ 0.0209072200000000, -0.0494301900000000, 0.0058867500000000 ] - [ 0.0206677300000000, -0.0490088000000000, 0.0057356500000000 ] - [ 0.0772027100000000, 0.0136004800000000, -0.0134978700000000 ] - [ 0.0804832600000000, 0.0137683200000000, -0.0147212400000000 ] - [ 0.1315006400000000, 0.0059200300000000, 0.0081500600000000 ] - [ 0.1317843800000000, 0.0056534500000000, 0.0084876700000000 ] - [ 0.1315353400000000, -0.0058868300000000, 0.0082969600000000 ] - [ 0.1315378400000000, -0.0057400200000000, 0.0083466100000000 ] - [ -0.1316247100000000, -0.0058108800000000, -0.0083341300000000 ] - [ -0.1315565400000000, -0.0058129800000000, -0.0083196800000000 ] - [ -0.1312711300000000, 0.0061381100000000, -0.0086057300000000 ] - [ -0.1321703400000000, 0.0050487700000000, -0.0077262200000000 ] - [ -0.0791577300000000, 0.0153285700000000, 0.0144382300000000 ] - [ -0.0790501200000000, 0.0157278400000000, 0.0142996800000000 ] - [ -0.0790548000000000, -0.0156770900000000, 0.0143128600000000 ] - [ -0.0789478800000000, -0.0158468100000000, 0.0144414300000000 ] - [ 0.0791014900000000, -0.0157868900000000, -0.0145080900000000 ] - [ 0.0794015400000000, -0.0151501800000000, -0.0144651200000000 ] - [ -0.0253381200000000, 0.0708312900000000, -0.0653377000000000 ] - [ -0.0245475600000000, -0.0057351300000000, -0.0641438100000000 ] - [ 0.0242704100000000, -0.0060452000000000, 0.0644119300000000 ] - [ 0.0246568500000000, -0.0060442100000000, 0.0639686200000000 ] - [ 0.0244824100000000, 0.0059486500000000, 0.0641290500000000 ] - [ 0.0240786200000000, 0.0059511200000000, 0.0643469800000000 ] - [ -0.0244161900000000, 0.0061401600000000, -0.0638142000000000 ] - [ -0.0245451600000000, 0.0057901400000000, -0.0641753400000000 ] - [ -0.0213253800000000, -0.1933415800000000, 0.0709009200000000 ] - [ -0.0211287200000000, -0.1936803500000000, 0.0708026100000000 ] - [ 0.0211837800000000, -0.1935662900000000, -0.0707654200000000 ] - [ 0.0211003500000000, -0.1936803800000000, -0.0707983300000000 ] - [ 0.0215204800000000, 0.1935340100000000, -0.0704887500000000 ] - [ 0.0210440300000000, 0.1936380200000000, -0.0711200600000000 ] - [ -0.0223514900000000, 0.1924192600000000, 0.0730810400000000 ] - [ -0.0205735900000000, 0.1927482200000000, 0.0697981400000000 ] - [ 0.0601324900000000, -0.0178294900000000, -0.0056943000000000 ] - [ 0.0567024400000000, -0.0180671700000000, -0.0089520200000000 ] - [ -0.0571976500000000, -0.0150249700000000, 0.0075560500000000 ] - [ -0.0564702200000000, -0.0162042200000000, 0.0085326200000000 ] - [ -0.0564881400000000, 0.0153688900000000, 0.0081552700000000 ] - [ -0.0569146700000000, 0.0154217800000000, 0.0082403300000000 ] - [ 0.0568778500000000, 0.0154663400000000, -0.0082153800000000 ] - [ 0.0567600000000000, 0.0156614800000000, -0.0081741400000000 ] - [ -0.0095786500000000, 0.2020754300000000, 0.0796577800000000 ] - [ -0.0095085400000000, 0.2019366200000000, 0.0801725700000000 ] - [ 0.0096732200000000, 0.2020573500000000, -0.0798853800000000 ] - [ 0.0095239900000000, 0.2019921300000000, -0.0797185200000000 ] - [ 0.0095999900000000, -0.2020184300000000, -0.0798201300000000 ] - [ 0.0095539100000000, -0.2022677600000000, -0.0796733100000000 ] - [ -0.0097935200000000, -0.2021111700000000, 0.0799254900000000 ] - [ -0.0096227900000000, -0.2039722600000000, 0.0796799300000000 ]- atom: 81 displacement: [ -0.0000427683518374, 0.0000000000000000, 0.0099999085429858 ] forces: - [ -0.0053180000000000, 0.0069762300000000, -0.0166276000000000 ] - [ -0.0065990000000000, 0.0072491200000000, -0.0167682700000000 ] - [ -0.0065695500000000, -0.0071926200000000, -0.0168488600000000 ] - [ -0.0065944300000000, -0.0072376600000000, -0.0168250300000000 ] - [ 0.0065604800000000, -0.0072395600000000, 0.0168311900000000 ] - [ 0.0053455700000000, -0.0077360700000000, 0.0184746300000000 ] - [ 0.0063328800000000, 0.0075342800000000, 0.0164728000000000 ] - [ 0.0063957500000000, 0.0070474600000000, 0.0165804900000000 ] - [ -0.0013058500000000, -0.0004668800000000, -0.0055452000000000 ] - [ -0.0011231800000000, -0.0002982700000000, -0.0054573700000000 ] - [ 0.0014773700000000, -0.0002198900000000, 0.0054466000000000 ] - [ 0.0013261400000000, -0.0004202000000000, 0.0054890100000000 ] - [ 0.0015290000000000, 0.0002589400000000, 0.0053284500000000 ] - [ 0.0014567800000000, 0.0002364100000000, 0.0052663900000000 ] - [ -0.0015661100000000, 0.0001436900000000, -0.0052897500000000 ] - [ -0.0015383500000000, 0.0003301900000000, -0.0054629900000000 ] - [ 0.0116244100000000, -0.0067710700000000, 0.0011869500000000 ] - [ 0.0113735000000000, -0.0066541100000000, 0.0012613700000000 ] - [ -0.0116637600000000, -0.0067238600000000, -0.0014019500000000 ] - [ -0.0116339900000000, -0.0065918400000000, -0.0014232400000000 ] - [ -0.0116204700000000, 0.0066980600000000, -0.0016227200000000 ] - [ -0.0118006300000000, 0.0065481600000000, -0.0019795100000000 ] - [ 0.0113292200000000, 0.0092498500000000, 0.0031918600000000 ] - [ 0.0117243700000000, 0.0072695500000000, 0.0015065300000000 ] - [ -0.0000327900000000, -0.0039933000000000, 0.0087406300000000 ] - [ -0.0000447200000000, -0.0040447300000000, 0.0088077400000000 ] - [ 0.0000391200000000, -0.0039241100000000, -0.0088831300000000 ] - [ 0.0009451700000000, -0.0043939000000000, -0.0084407500000000 ] - [ 0.0002356900000000, 0.0042139900000000, -0.0092846200000000 ] - [ 0.0001697600000000, 0.0041491400000000, -0.0091624500000000 ] - [ 0.0000853600000000, 0.0040416400000000, 0.0091745900000000 ] - [ -0.0000075600000000, 0.0040856300000000, 0.0089904300000000 ] - [ -0.0160069400000000, -0.0335655000000000, -0.0311589900000000 ] - [ -0.0190408200000000, -0.0162254900000000, -0.0199069200000000 ] - [ -0.0206043000000000, -0.0493448700000000, -0.0057772800000000 ] - [ -0.0207670400000000, -0.0490993000000000, -0.0058554500000000 ] - [ -0.0203501100000000, 0.0493496500000000, -0.0059501600000000 ] - [ -0.0208647900000000, 0.0483311100000000, -0.0055321900000000 ] - [ 0.0312449300000000, 0.0363310400000000, 0.0335211800000000 ] - [ 0.0199083900000000, 0.0490880400000000, 0.0058773200000000 ] - [ 0.0434657800000000, -0.0192979800000000, -0.0214386300000000 ] - [ 0.0435875300000000, -0.0187577800000000, -0.0210062300000000 ] - [ -0.0435676000000000, -0.0189155500000000, 0.0209799300000000 ] - [ -0.0434802800000000, -0.0185890800000000, 0.0209103400000000 ] - [ -0.0434364600000000, 0.0190708500000000, 0.0209868700000000 ] - [ -0.0436407100000000, 0.0188797700000000, 0.0209640300000000 ] - [ 0.0315659700000000, 0.0126039000000000, -0.0121551600000000 ] - [ 0.0443518000000000, 0.0194938600000000, -0.0197826300000000 ] - [ 0.0434922200000000, -0.0189239000000000, -0.0268983900000000 ] - [ 0.0435644100000000, -0.0188076600000000, -0.0268917400000000 ] - [ -0.0434311800000000, -0.0189761800000000, 0.0268291900000000 ] - [ -0.0439044500000000, -0.0187353000000000, 0.0268334200000000 ] - [ -0.0430487200000000, 0.0189867400000000, 0.0274424700000000 ] - [ -0.0431309400000000, 0.0182032500000000, 0.0275269300000000 ] - [ 0.0435782800000000, 0.0188986600000000, -0.0270462700000000 ] - [ 0.0434603600000000, 0.0186278500000000, -0.0267678100000000 ] - [ 0.0151604600000000, -0.0329048300000000, 0.0318609400000000 ] - [ 0.0160789100000000, -0.0337751200000000, 0.0315182400000000 ] - [ -0.0160565400000000, 0.0335349500000000, -0.0313535700000000 ] - [ -0.0156226500000000, 0.0337391500000000, -0.0315749000000000 ] - [ 0.0159783100000000, 0.0334933800000000, 0.0313258200000000 ] - [ 0.0159154000000000, 0.0336734000000000, 0.0313990600000000 ] - [ 0.0209561700000000, -0.0492390000000000, 0.0055878300000000 ] - [ 0.0205979100000000, -0.0491543200000000, 0.0057502700000000 ] - [ 0.0793711200000000, 0.0163317600000000, -0.0155424900000000 ] - [ 0.0795771600000000, 0.0140325400000000, -0.0154931800000000 ] - [ 0.1311714400000000, 0.0056851900000000, 0.0082208000000000 ] - [ 0.1315406900000000, 0.0059744700000000, 0.0081574800000000 ] - [ 0.1315814500000000, -0.0057905300000000, 0.0082954200000000 ] - [ 0.1315721700000000, -0.0057801400000000, 0.0084657500000000 ] - [ -0.1313973100000000, -0.0056043900000000, -0.0082056300000000 ] - [ -0.1315702200000000, -0.0058432000000000, -0.0082387400000000 ] - [ -0.1323473900000000, 0.0056622300000000, -0.0091764700000000 ] - [ -0.1315513900000000, 0.0053930500000000, -0.0089287400000000 ] - [ -0.0784137600000000, 0.0156840300000000, 0.0144687500000000 ] - [ -0.0790050600000000, 0.0157434300000000, 0.0144101500000000 ] - [ -0.0791107300000000, -0.0157437500000000, 0.0143121100000000 ] - [ -0.0790250200000000, -0.0158229600000000, 0.0143902300000000 ] - [ 0.0790635500000000, -0.0157579600000000, -0.0141923200000000 ] - [ 0.0794023800000000, -0.0162436200000000, -0.0133242400000000 ] - [ -0.0223758700000000, -0.0045565600000000, -0.1193249300000000 ] - [ -0.0244416600000000, -0.0060215200000000, -0.0643968200000000 ] - [ 0.0245800000000000, -0.0061946200000000, 0.0640545300000000 ] - [ 0.0244108500000000, -0.0057479300000000, 0.0640551300000000 ] - [ 0.0244592100000000, 0.0060325300000000, 0.0641069400000000 ] - [ 0.0238969900000000, 0.0058136000000000, 0.0644104100000000 ] - [ -0.0247915800000000, 0.0063450500000000, -0.0637297100000000 ] - [ -0.0244694300000000, 0.0059860800000000, -0.0640403700000000 ] - [ -0.0202048700000000, -0.1931108700000000, 0.0723040600000000 ] - [ -0.0211419700000000, -0.1935966100000000, 0.0707788600000000 ] - [ 0.0210157100000000, -0.1935034900000000, -0.0707124300000000 ] - [ 0.0211265400000000, -0.1936271500000000, -0.0708186500000000 ] - [ 0.0210488300000000, 0.1935181300000000, -0.0708985100000000 ] - [ 0.0211506000000000, 0.1935800600000000, -0.0708253000000000 ] - [ -0.0214534000000000, 0.1909575600000000, 0.0724304600000000 ] - [ -0.0217359700000000, 0.1950159500000000, 0.0715221700000000 ] - [ 0.0570997600000000, -0.0156574000000000, -0.0085951000000000 ] - [ 0.0571937000000000, -0.0157706800000000, -0.0090988400000000 ] - [ -0.0548971800000000, -0.0163938100000000, 0.0094097400000000 ] - [ -0.0570258400000000, -0.0154335500000000, 0.0078648500000000 ] - [ -0.0570154200000000, 0.0158810400000000, 0.0083065100000000 ] - [ -0.0568673700000000, 0.0154222400000000, 0.0082085500000000 ] - [ 0.0569338700000000, 0.0156177700000000, -0.0081777100000000 ] - [ 0.0567235500000000, 0.0154968500000000, -0.0080118700000000 ] - [ -0.0095252000000000, 0.2020486600000000, 0.0798047000000000 ] - [ -0.0091868500000000, 0.2020727000000000, 0.0801427900000000 ] - [ 0.0096290900000000, 0.2019846000000000, -0.0798274100000000 ] - [ 0.0095092000000000, 0.2019601600000000, -0.0797262000000000 ] - [ 0.0092664300000000, -0.2020518500000000, -0.0798076600000000 ] - [ 0.0094831700000000, -0.2019538500000000, -0.0797850000000000 ] - [ -0.0102566300000000, -0.2022882600000000, 0.0806672200000000 ] - [ -0.0094828400000000, -0.1998629600000000, 0.0801469900000000 ]- atom: 81 displacement: [ 0.0000427683518374, 0.0000000000000000, -0.0099999085429858 ] forces: - [ -0.0078349600000000, 0.0074703500000000, -0.0168586500000000 ] - [ -0.0065892100000000, 0.0071980900000000, -0.0167372800000000 ] - [ -0.0066173700000000, -0.0072581300000000, -0.0166565600000000 ] - [ -0.0065919500000000, -0.0072146100000000, -0.0166782800000000 ] - [ 0.0066267500000000, -0.0072091100000000, 0.0166749300000000 ] - [ 0.0077807600000000, -0.0067512600000000, 0.0151168000000000 ] - [ 0.0068560200000000, 0.0069174300000000, 0.0170320200000000 ] - [ 0.0067930700000000, 0.0074016800000000, 0.0169248000000000 ] - [ -0.0016876100000000, -0.0000839900000000, -0.0052289800000000 ] - [ -0.0018736600000000, -0.0002521500000000, -0.0053155300000000 ] - [ 0.0015152700000000, -0.0003301400000000, 0.0053279000000000 ] - [ 0.0016689700000000, -0.0001301000000000, 0.0052843500000000 ] - [ 0.0014623600000000, 0.0002913500000000, 0.0054446600000000 ] - [ 0.0015345300000000, 0.0003135700000000, 0.0055059300000000 ] - [ -0.0014255700000000, 0.0004062800000000, -0.0054827600000000 ] - [ -0.0014535600000000, 0.0002208900000000, -0.0053066300000000 ] - [ 0.0117051700000000, -0.0065853100000000, 0.0019145800000000 ] - [ 0.0119568700000000, -0.0067036300000000, 0.0018431700000000 ] - [ -0.0116640700000000, -0.0066330900000000, -0.0016984400000000 ] - [ -0.0116936900000000, -0.0067631600000000, -0.0016766400000000 ] - [ -0.0117071700000000, 0.0066593300000000, -0.0014790300000000 ] - [ -0.0115278600000000, 0.0068084000000000, -0.0011233700000000 ] - [ 0.0119928100000000, 0.0041681400000000, -0.0000817700000000 ] - [ 0.0116018600000000, 0.0060925500000000, 0.0015973000000000 ] - [ -0.0000199700000000, -0.0041064200000000, 0.0090572300000000 ] - [ -0.0000083700000000, -0.0040557800000000, 0.0089899800000000 ] - [ 0.0000139300000000, -0.0041780000000000, -0.0089134300000000 ] - [ -0.0008645800000000, -0.0037163800000000, -0.0093495600000000 ] - [ -0.0001822700000000, 0.0038891800000000, -0.0085158100000000 ] - [ -0.0001162000000000, 0.0039489000000000, -0.0086379100000000 ] - [ -0.0001381500000000, 0.0040601700000000, 0.0086268300000000 ] - [ -0.0000456200000000, 0.0040163000000000, 0.0088091900000000 ] - [ -0.0157434200000000, -0.0336262400000000, -0.0316209700000000 ] - [ -0.0126989200000000, -0.0511606200000000, -0.0427972800000000 ] - [ -0.0207542400000000, -0.0489495900000000, -0.0057731400000000 ] - [ -0.0205940600000000, -0.0491949300000000, -0.0056968500000000 ] - [ -0.0210072400000000, 0.0489443300000000, -0.0056096100000000 ] - [ -0.0204971100000000, 0.0499603500000000, -0.0060204000000000 ] - [ 0.0096851700000000, 0.0625302300000000, -0.0227969100000000 ] - [ 0.0214564300000000, 0.0492047300000000, 0.0056649700000000 ] - [ 0.0437148000000000, -0.0185556400000000, -0.0204563000000000 ] - [ 0.0435932700000000, -0.0191005500000000, -0.0208987000000000 ] - [ -0.0436127100000000, -0.0189422100000000, 0.0209245500000000 ] - [ -0.0436986300000000, -0.0192652400000000, 0.0209948000000000 ] - [ -0.0437420500000000, 0.0187879600000000, 0.0209170600000000 ] - [ -0.0435374500000000, 0.0189774300000000, 0.0209410200000000 ] - [ 0.0557670000000000, 0.0253616100000000, -0.0297380400000000 ] - [ 0.0428190900000000, 0.0183587800000000, -0.0221378400000000 ] - [ 0.0435904300000000, -0.0187317000000000, -0.0268869600000000 ] - [ 0.0435185900000000, -0.0188473800000000, -0.0268927900000000 ] - [ -0.0436510100000000, -0.0186786500000000, 0.0269566800000000 ] - [ -0.0431787200000000, -0.0189220500000000, 0.0269514000000000 ] - [ -0.0440414700000000, 0.0186691400000000, 0.0263347500000000 ] - [ -0.0439538500000000, 0.0194490000000000, 0.0262517800000000 ] - [ 0.0435072800000000, 0.0187636700000000, -0.0267449000000000 ] - [ 0.0436267000000000, 0.0190261900000000, -0.0270187600000000 ] - [ 0.0165887100000000, -0.0342897300000000, 0.0309119500000000 ] - [ 0.0156730800000000, -0.0334202900000000, 0.0312552100000000 ] - [ -0.0156949300000000, 0.0336598400000000, -0.0314195600000000 ] - [ -0.0161270000000000, 0.0334546000000000, -0.0311989000000000 ] - [ 0.0157739700000000, 0.0336992500000000, 0.0314474800000000 ] - [ 0.0158372800000000, 0.0335207000000000, 0.0313761500000000 ] - [ 0.0204024100000000, -0.0490533100000000, 0.0059640900000000 ] - [ 0.0207604700000000, -0.0491397700000000, 0.0058006600000000 ] - [ 0.0787327500000000, 0.0151919700000000, -0.0131819000000000 ] - [ 0.0785142600000000, 0.0175238500000000, -0.0132415100000000 ] - [ 0.1319891200000000, 0.0059145600000000, 0.0084143400000000 ] - [ 0.1316181800000000, 0.0056242400000000, 0.0084774000000000 ] - [ 0.1315793000000000, -0.0058098100000000, 0.0083375400000000 ] - [ 0.1315871500000000, -0.0058195600000000, 0.0081689900000000 ] - [ -0.1317628800000000, -0.0059952700000000, -0.0084285300000000 ] - [ -0.1315898900000000, -0.0057561300000000, -0.0083933000000000 ] - [ -0.1308227800000000, 0.0059312300000000, -0.0074427300000000 ] - [ -0.1316051600000000, 0.0062078500000000, -0.0076946700000000 ] - [ -0.0796954200000000, 0.0158484200000000, 0.0142641700000000 ] - [ -0.0791012400000000, 0.0157882600000000, 0.0143218800000000 ] - [ -0.0789971000000000, -0.0157886100000000, 0.0144169300000000 ] - [ -0.0790837600000000, -0.0157090400000000, 0.0143381700000000 ] - [ 0.0790434700000000, -0.0157736700000000, -0.0145371600000000 ] - [ 0.0787035900000000, -0.0152905400000000, -0.0154023200000000 ] - [ -0.0262607100000000, -0.0080086900000000, -0.0083323500000000 ] - [ -0.0245096800000000, -0.0060287500000000, -0.0638778800000000 ] - [ 0.0243687400000000, -0.0058528400000000, 0.0642184300000000 ] - [ 0.0245378000000000, -0.0062992500000000, 0.0642205400000000 ] - [ 0.0244913300000000, 0.0060153200000000, 0.0641675700000000 ] - [ 0.0250485400000000, 0.0062323200000000, 0.0638666000000000 ] - [ -0.0241589300000000, 0.0057020000000000, -0.0645427000000000 ] - [ -0.0244817100000000, 0.0060619000000000, -0.0642341200000000 ] - [ -0.0220364400000000, -0.1940328500000000, 0.0692802100000000 ] - [ -0.0210997000000000, -0.1935473700000000, 0.0708058200000000 ] - [ 0.0212258800000000, -0.1936418300000000, -0.0708707500000000 ] - [ 0.0211148400000000, -0.1935191400000000, -0.0707649200000000 ] - [ 0.0211913100000000, 0.1936273300000000, -0.0706818400000000 ] - [ 0.0210898600000000, 0.1935655000000000, -0.0707593000000000 ] - [ -0.0208017400000000, 0.1962070500000000, 0.0691579800000000 ] - [ -0.0204994700000000, 0.1920969700000000, 0.0700563500000000 ] - [ 0.0566355700000000, -0.0154674100000000, -0.0077852600000000 ] - [ 0.0565395100000000, -0.0153258500000000, -0.0072910000000000 ] - [ -0.0588465500000000, -0.0147091000000000, 0.0069804000000000 ] - [ -0.0567069400000000, -0.0156727800000000, 0.0085250800000000 ] - [ -0.0567163900000000, 0.0152262600000000, 0.0080841400000000 ] - [ -0.0568663500000000, 0.0156849100000000, 0.0081808200000000 ] - [ 0.0567984800000000, 0.0154898300000000, -0.0082112400000000 ] - [ 0.0570096400000000, 0.0156111000000000, -0.0083753800000000 ] - [ -0.0096509600000000, 0.2020087800000000, 0.0798018000000000 ] - [ -0.0099867000000000, 0.2019817100000000, 0.0794661200000000 ] - [ 0.0095471700000000, 0.2020744100000000, -0.0797796900000000 ] - [ 0.0096661200000000, 0.2020980400000000, -0.0798811700000000 ] - [ 0.0099081500000000, -0.2020088400000000, -0.0798002900000000 ] - [ 0.0096956200000000, -0.2021027500000000, -0.0798224300000000 ] - [ -0.0089084700000000, -0.2017467800000000, 0.0789214800000000 ] - [ -0.0096957800000000, -0.2041882700000000, 0.0794660200000000 ]- atom: 89 displacement: [ 0.0099999992956673, 0.0000000000000000, 0.0000037532191477 ] forces: - [ -0.0065998600000000, 0.0072203900000000, -0.0166843500000000 ] - [ -0.0065904900000000, 0.0072324700000000, -0.0167847800000000 ] - [ -0.0066973900000000, -0.0070143100000000, -0.0165650900000000 ] - [ -0.0067257100000000, -0.0074298600000000, -0.0168105000000000 ] - [ 0.0066958500000000, -0.0071825900000000, 0.0167212900000000 ] - [ 0.0100531100000000, -0.0052425900000000, 0.0178545900000000 ] - [ 0.0065918300000000, 0.0071982700000000, 0.0167727300000000 ] - [ 0.0066136900000000, 0.0071930000000000, 0.0168918000000000 ] - [ -0.0015762900000000, -0.0003880300000000, -0.0054932300000000 ] - [ -0.0014799000000000, -0.0002798400000000, -0.0054239800000000 ] - [ 0.0014550800000000, -0.0002783500000000, 0.0053919300000000 ] - [ 0.0014711200000000, -0.0002809000000000, 0.0053771000000000 ] - [ 0.0013745800000000, 0.0002205700000000, 0.0053928900000000 ] - [ 0.0013869000000000, 0.0002360800000000, 0.0053239100000000 ] - [ 0.0018744900000000, 0.0025877400000000, -0.0069992400000000 ] - [ -0.0018005700000000, 0.0005824900000000, -0.0050723300000000 ] - [ 0.0119874200000000, -0.0065914400000000, 0.0016424100000000 ] - [ 0.0117241600000000, -0.0067846200000000, 0.0016067000000000 ] - [ -0.0117111900000000, -0.0067097600000000, -0.0016403000000000 ] - [ -0.0116878700000000, -0.0066713000000000, -0.0015806500000000 ] - [ -0.0116916600000000, 0.0066910900000000, -0.0015469400000000 ] - [ -0.0121522800000000, 0.0067159200000000, -0.0013497700000000 ] - [ 0.0125348600000000, 0.0050792100000000, 0.0038816600000000 ] - [ 0.0117277000000000, 0.0066065100000000, 0.0013936200000000 ] - [ -0.0001877700000000, -0.0039596100000000, 0.0087885900000000 ] - [ -0.0001939500000000, -0.0040980800000000, 0.0087984700000000 ] - [ 0.0000288300000000, -0.0040981200000000, -0.0088914800000000 ] - [ 0.0015043200000000, -0.0051154600000000, -0.0112458600000000 ] - [ 0.0001179500000000, 0.0039665700000000, -0.0090487700000000 ] - [ 0.0001508600000000, 0.0042421700000000, -0.0089904400000000 ] - [ -0.0001249400000000, 0.0040472600000000, 0.0089804400000000 ] - [ -0.0000849800000000, 0.0040590300000000, 0.0088900700000000 ] - [ -0.0155596700000000, -0.0336908900000000, -0.0314397600000000 ] - [ -0.0157892300000000, -0.0336783600000000, -0.0313126900000000 ] - [ -0.0207318300000000, -0.0488377300000000, -0.0049857700000000 ] - [ -0.0214464600000000, -0.0495157900000000, -0.0061898800000000 ] - [ -0.0206958800000000, 0.0491243800000000, -0.0057594500000000 ] - [ -0.0207278700000000, 0.0489890500000000, -0.0057510600000000 ] - [ 0.0209184200000000, 0.0493722500000000, 0.0059201400000000 ] - [ 0.0206848000000000, 0.0491498500000000, 0.0057895300000000 ] - [ 0.0483400100000000, -0.0176477200000000, -0.0100209100000000 ] - [ 0.0441054600000000, -0.0189640500000000, -0.0210149100000000 ] - [ -0.0438402300000000, -0.0190137300000000, 0.0209972100000000 ] - [ -0.0438769200000000, -0.0186258800000000, 0.0212894900000000 ] - [ -0.0436667900000000, 0.0189644000000000, 0.0209273000000000 ] - [ -0.0436868000000000, 0.0189361100000000, 0.0209392900000000 ] - [ 0.0435672400000000, 0.0190459300000000, -0.0208948000000000 ] - [ 0.0436359200000000, 0.0189797800000000, -0.0208641300000000 ] - [ 0.0430693100000000, -0.0189476900000000, -0.0269175300000000 ] - [ 0.0432502800000000, -0.0186801800000000, -0.0265591400000000 ] - [ -0.0434088400000000, -0.0194354200000000, 0.0270953800000000 ] - [ -0.0439748300000000, -0.0201966300000000, 0.0266990400000000 ] - [ -0.0437338300000000, 0.0187387600000000, 0.0270664800000000 ] - [ -0.0434914300000000, 0.0188355300000000, 0.0269061100000000 ] - [ 0.0434151400000000, 0.0188429000000000, -0.0268684500000000 ] - [ 0.0435145500000000, 0.0188919400000000, -0.0268818600000000 ] - [ 0.0157423200000000, -0.0335541900000000, 0.0313609400000000 ] - [ 0.0158123300000000, -0.0336813800000000, 0.0313864300000000 ] - [ -0.0156879600000000, 0.0337412200000000, -0.0317366400000000 ] - [ -0.0142523800000000, 0.0341525400000000, -0.0309604000000000 ] - [ 0.0156025300000000, 0.0334997000000000, 0.0312932200000000 ] - [ 0.0158220200000000, 0.0336757600000000, 0.0316231600000000 ] - [ 0.0465067900000000, -0.0525447500000000, -0.0096541500000000 ] - [ 0.0206691600000000, -0.0493001200000000, 0.0058082000000000 ] - [ 0.0788687900000000, 0.0159439400000000, -0.0148288300000000 ] - [ 0.0790500100000000, 0.0156335700000000, -0.0143367100000000 ] - [ 0.1316562200000000, 0.0057894200000000, 0.0083447900000000 ] - [ 0.1316743100000000, 0.0057397600000000, 0.0084052800000000 ] - [ 0.1316162800000000, -0.0057826100000000, 0.0081923200000000 ] - [ 0.1328970700000000, -0.0065318100000000, 0.0082177800000000 ] - [ -0.1301912800000000, -0.0035971500000000, -0.0069546600000000 ] - [ -0.1309238400000000, -0.0061908300000000, -0.0076299800000000 ] - [ -0.1315033200000000, 0.0057720900000000, -0.0084263500000000 ] - [ -0.1316429100000000, 0.0058084300000000, -0.0084085300000000 ] - [ -0.0788896800000000, 0.0157057300000000, 0.0143585000000000 ] - [ -0.0789678000000000, 0.0157537700000000, 0.0143782600000000 ] - [ -0.0786079500000000, -0.0157558900000000, 0.0144410400000000 ] - [ -0.0788446900000000, -0.0159429300000000, 0.0142640800000000 ] - [ 0.0787754300000000, -0.0157638900000000, -0.0143061400000000 ] - [ 0.0785853600000000, -0.0165567500000000, -0.0127209600000000 ] - [ -0.0242804500000000, -0.0058249200000000, -0.0632266600000000 ] - [ -0.0245000700000000, -0.0060167100000000, -0.0641590600000000 ] - [ 0.0245526700000000, -0.0060447600000000, 0.0641442500000000 ] - [ 0.0245660500000000, -0.0059622700000000, 0.0640336900000000 ] - [ 0.0246321100000000, 0.0056201900000000, 0.0640675000000000 ] - [ 0.0249763200000000, 0.0061022500000000, 0.0641697400000000 ] - [ -0.0240293400000000, 0.0047980400000000, -0.0644476900000000 ] - [ -0.0244535200000000, 0.0065716900000000, -0.0647539600000000 ] - [ -0.0715740600000000, -0.1928637000000000, 0.0751242300000000 ] - [ -0.0215187700000000, -0.1936286200000000, 0.0707991000000000 ] - [ 0.0215053000000000, -0.1936592000000000, -0.0711161800000000 ] - [ 0.0215066500000000, -0.1937400600000000, -0.0706342400000000 ] - [ 0.0211710900000000, 0.1935977700000000, -0.0707710600000000 ] - [ 0.0212702800000000, 0.1935743100000000, -0.0708235200000000 ] - [ -0.0212878200000000, 0.1934585100000000, 0.0708688600000000 ] - [ -0.0213567600000000, 0.1938120300000000, 0.0707760800000000 ] - [ 0.0567379000000000, -0.0155545900000000, -0.0081877700000000 ] - [ 0.0567748400000000, -0.0155496900000000, -0.0082136000000000 ] - [ -0.0567494400000000, -0.0156379100000000, 0.0078264100000000 ] - [ -0.0568028400000000, -0.0155418600000000, 0.0081776300000000 ] - [ -0.0559394400000000, 0.0136990400000000, 0.0072153500000000 ] - [ -0.0566204100000000, 0.0155502500000000, 0.0083117300000000 ] - [ 0.0570255400000000, 0.0154264000000000, -0.0081870600000000 ] - [ 0.0590703100000000, 0.0172837000000000, -0.0106278500000000 ] - [ -0.0094253600000000, 0.2019187600000000, 0.0798356100000000 ] - [ -0.0057420700000000, 0.2039810400000000, 0.0797114000000000 ] - [ 0.0092711900000000, 0.2021245900000000, -0.0798862600000000 ] - [ 0.0098646100000000, 0.2019605800000000, -0.0799688400000000 ] - [ 0.0096452400000000, -0.2020058000000000, -0.0797595800000000 ] - [ 0.0095641800000000, -0.2020467500000000, -0.0797970000000000 ] - [ -0.0097896500000000, -0.2018466000000000, 0.0796954800000000 ] - [ -0.0096895000000000, -0.2019600500000000, 0.0799424600000000 ]- atom: 89 displacement: [ -0.0099999992956673, 0.0000000000000000, -0.0000037532191477 ] forces: - [ -0.0065865900000000, 0.0072273500000000, -0.0168217100000000 ] - [ -0.0065964100000000, 0.0072156700000000, -0.0167230500000000 ] - [ -0.0064864300000000, -0.0074369300000000, -0.0169387200000000 ] - [ -0.0064609800000000, -0.0070194900000000, -0.0166942700000000 ] - [ 0.0064945800000000, -0.0072647500000000, 0.0167848500000000 ] - [ 0.0030497500000000, -0.0092733900000000, 0.0156029800000000 ] - [ 0.0065973100000000, 0.0072512100000000, 0.0167296700000000 ] - [ 0.0065741600000000, 0.0072573300000000, 0.0166137000000000 ] - [ -0.0014159000000000, -0.0001614600000000, -0.0052771600000000 ] - [ -0.0015123700000000, -0.0002701900000000, -0.0053488700000000 ] - [ 0.0015371700000000, -0.0002717600000000, 0.0053801900000000 ] - [ 0.0015204600000000, -0.0002696500000000, 0.0053959100000000 ] - [ 0.0016172200000000, 0.0003337400000000, 0.0053808000000000 ] - [ 0.0016062100000000, 0.0003120800000000, 0.0054489400000000 ] - [ -0.0047964600000000, -0.0019497400000000, -0.0038145100000000 ] - [ -0.0011931100000000, -0.0000320600000000, -0.0057004600000000 ] - [ 0.0113386900000000, -0.0067639400000000, 0.0014605400000000 ] - [ 0.0116038600000000, -0.0065736000000000, 0.0014959700000000 ] - [ -0.0116173800000000, -0.0066458900000000, -0.0014643400000000 ] - [ -0.0116399600000000, -0.0066849600000000, -0.0015213100000000 ] - [ -0.0116359000000000, 0.0066665000000000, -0.0015534100000000 ] - [ -0.0111750000000000, 0.0066396400000000, -0.0017511500000000 ] - [ 0.0108051200000000, 0.0082928300000000, -0.0007975500000000 ] - [ 0.0116020100000000, 0.0067499600000000, 0.0017102000000000 ] - [ 0.0001397100000000, -0.0041417600000000, 0.0090161500000000 ] - [ 0.0001411000000000, -0.0040023000000000, 0.0090005300000000 ] - [ 0.0000219700000000, -0.0040046800000000, -0.0089055000000000 ] - [ -0.0014487500000000, -0.0030137000000000, -0.0065913600000000 ] - [ -0.0000689900000000, 0.0041362200000000, -0.0087455500000000 ] - [ -0.0000981600000000, 0.0038546500000000, -0.0088069400000000 ] - [ 0.0000721500000000, 0.0040538300000000, 0.0088179600000000 ] - [ 0.0000312600000000, 0.0040433000000000, 0.0089076400000000 ] - [ -0.0161920700000000, -0.0335025500000000, -0.0313343000000000 ] - [ -0.0159615700000000, -0.0335131600000000, -0.0314628600000000 ] - [ -0.0206253800000000, -0.0494423200000000, -0.0065606000000000 ] - [ -0.0199132500000000, -0.0487779300000000, -0.0053580900000000 ] - [ -0.0206631100000000, 0.0491700900000000, -0.0057910500000000 ] - [ -0.0206312500000000, 0.0493043000000000, -0.0057993200000000 ] - [ 0.0204439400000000, 0.0489186100000000, 0.0056298900000000 ] - [ 0.0206757600000000, 0.0491444800000000, 0.0057604200000000 ] - [ 0.0387308000000000, -0.0201872500000000, -0.0318265400000000 ] - [ 0.0430726700000000, -0.0188906300000000, -0.0208953000000000 ] - [ -0.0433418400000000, -0.0188420900000000, 0.0209066900000000 ] - [ -0.0432954100000000, -0.0192304500000000, 0.0206184400000000 ] - [ -0.0435128900000000, 0.0188927800000000, 0.0209775500000000 ] - [ -0.0434932500000000, 0.0189197100000000, 0.0209657000000000 ] - [ 0.0436118700000000, 0.0188115300000000, -0.0210135200000000 ] - [ 0.0435441800000000, 0.0188788400000000, -0.0210417900000000 ] - [ 0.0440226800000000, -0.0187161000000000, -0.0268738700000000 ] - [ 0.0438335700000000, -0.0189730000000000, -0.0272247300000000 ] - [ -0.0436821800000000, -0.0182072200000000, 0.0266847200000000 ] - [ -0.0431144100000000, -0.0174449200000000, 0.0270720100000000 ] - [ -0.0433491200000000, 0.0189185300000000, 0.0267164900000000 ] - [ -0.0435929900000000, 0.0188188500000000, 0.0268791700000000 ] - [ 0.0436672500000000, 0.0188120700000000, -0.0269164700000000 ] - [ 0.0435681600000000, 0.0187631000000000, -0.0269029600000000 ] - [ 0.0160101900000000, -0.0336395700000000, 0.0314136700000000 ] - [ 0.0159393300000000, -0.0335127900000000, 0.0313883200000000 ] - [ -0.0160594000000000, 0.0334452800000000, -0.0310394000000000 ] - [ -0.0174959300000000, 0.0330404100000000, -0.0318193100000000 ] - [ 0.0161427300000000, 0.0336816600000000, 0.0314842600000000 ] - [ 0.0159307000000000, 0.0335237600000000, 0.0311542300000000 ] - [ -0.0059034200000000, -0.0454536700000000, 0.0218585200000000 ] - [ 0.0206977900000000, -0.0489896000000000, 0.0057387100000000 ] - [ 0.0792315200000000, 0.0155817900000000, -0.0138940400000000 ] - [ 0.0790580700000000, 0.0158962900000000, -0.0143939300000000 ] - [ 0.1315048400000000, 0.0058100700000000, 0.0082879100000000 ] - [ 0.1314867000000000, 0.0058603900000000, 0.0082277400000000 ] - [ 0.1315450600000000, -0.0058197200000000, 0.0084421500000000 ] - [ 0.1302844900000000, -0.0050750900000000, 0.0084198500000000 ] - [ -0.1329751800000000, -0.0080027800000000, -0.0097001800000000 ] - [ -0.1322340300000000, -0.0054135000000000, -0.0089992000000000 ] - [ -0.1316561700000000, 0.0058289800000000, -0.0082054100000000 ] - [ -0.1315162900000000, 0.0057910800000000, -0.0082244900000000 ] - [ -0.0792183600000000, 0.0158264100000000, 0.0143711500000000 ] - [ -0.0791393300000000, 0.0157778800000000, 0.0143521700000000 ] - [ -0.0794988600000000, -0.0157739600000000, 0.0142901200000000 ] - [ -0.0792641300000000, -0.0155916600000000, 0.0144641000000000 ] - [ 0.0793322300000000, -0.0157711500000000, -0.0144233000000000 ] - [ 0.0795124400000000, -0.0149646900000000, -0.0160166400000000 ] - [ -0.0246676700000000, -0.0062290100000000, -0.0650604700000000 ] - [ -0.0244501100000000, -0.0060304900000000, -0.0641162700000000 ] - [ 0.0243949200000000, -0.0060025000000000, 0.0641316900000000 ] - [ 0.0243827600000000, -0.0060858000000000, 0.0642426800000000 ] - [ 0.0243189400000000, 0.0064216700000000, 0.0642082800000000 ] - [ 0.0239792200000000, 0.0059465500000000, 0.0641044200000000 ] - [ -0.0249462000000000, 0.0072615600000000, -0.0638006000000000 ] - [ -0.0245014900000000, 0.0054774400000000, -0.0635181000000000 ] - [ 0.0302293700000000, -0.1946971500000000, 0.0659028200000000 ] - [ -0.0207252700000000, -0.1935055200000000, 0.0707939600000000 ] - [ 0.0207342300000000, -0.1934895400000000, -0.0704706300000000 ] - [ 0.0207359700000000, -0.1934083400000000, -0.0709513400000000 ] - [ 0.0210716100000000, 0.1935478300000000, -0.0708134800000000 ] - [ 0.0209730500000000, 0.1935710600000000, -0.0707622400000000 ] - [ -0.0209517300000000, 0.1936869300000000, 0.0707199700000000 ] - [ -0.0208853000000000, 0.1933289600000000, 0.0708080900000000 ] - [ 0.0569942600000000, -0.0155521200000000, -0.0082013200000000 ] - [ 0.0569566500000000, -0.0155586000000000, -0.0081757600000000 ] - [ -0.0569825100000000, -0.0154667300000000, 0.0085638600000000 ] - [ -0.0569288100000000, -0.0155650000000000, 0.0082112500000000 ] - [ -0.0577897400000000, 0.0174141300000000, 0.0091791000000000 ] - [ -0.0571137400000000, 0.0155580300000000, 0.0080781100000000 ] - [ 0.0567028900000000, 0.0156778600000000, -0.0081995200000000 ] - [ 0.0546336300000000, 0.0138142300000000, -0.0057403500000000 ] - [ -0.0097480500000000, 0.2021393200000000, 0.0797543300000000 ] - [ -0.0134343000000000, 0.2001529500000000, 0.0798835400000000 ] - [ 0.0098988300000000, 0.2019357600000000, -0.0797252400000000 ] - [ 0.0093102200000000, 0.2020983300000000, -0.0796394300000000 ] - [ 0.0095307900000000, -0.2020529600000000, -0.0798485500000000 ] - [ 0.0096112900000000, -0.2020131600000000, -0.0798112000000000 ] - [ -0.0093849900000000, -0.2022139500000000, 0.0799118700000000 ] - [ -0.0094862200000000, -0.2020968800000000, 0.0796636500000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0066357100000000, 0.0072463000000000, -0.0166866300000000 ] - [ -0.0066173900000000, 0.0072069200000000, -0.0167044700000000 ] - [ -0.0064380900000000, -0.0071067000000000, -0.0167484100000000 ] - [ -0.0068439500000000, -0.0073576700000000, -0.0168507700000000 ] - [ 0.0066442600000000, -0.0073166300000000, 0.0168495300000000 ] - [ 0.0089519700000000, -0.0068359700000000, 0.0175269600000000 ] - [ 0.0067074000000000, 0.0072078600000000, 0.0164001200000000 ] - [ 0.0064888500000000, 0.0073617200000000, 0.0170534100000000 ] - [ -0.0014345000000000, -0.0002254500000000, -0.0053437600000000 ] - [ -0.0014691000000000, -0.0003579900000000, -0.0054455700000000 ] - [ 0.0014328300000000, -0.0002831000000000, 0.0054514600000000 ] - [ 0.0014891900000000, -0.0002870000000000, 0.0054047800000000 ] - [ 0.0014551600000000, -0.0000475000000000, 0.0053737600000000 ] - [ 0.0015286500000000, 0.0004191200000000, 0.0053580900000000 ] - [ 0.0010470000000000, 0.0027132300000000, -0.0062761100000000 ] - [ -0.0017328800000000, 0.0002806600000000, -0.0054077600000000 ] - [ 0.0116567900000000, -0.0065304800000000, 0.0015281400000000 ] - [ 0.0117127400000000, -0.0071981600000000, 0.0015933200000000 ] - [ -0.0116432300000000, -0.0067364200000000, -0.0013479600000000 ] - [ -0.0116692800000000, -0.0066684700000000, -0.0015141300000000 ] - [ -0.0116915600000000, 0.0066208200000000, -0.0016195600000000 ] - [ -0.0118508100000000, 0.0068174000000000, -0.0015365300000000 ] - [ 0.0102164200000000, 0.0089787000000000, -0.0006416000000000 ] - [ 0.0117576600000000, 0.0067063600000000, 0.0016877200000000 ] - [ -0.0002295900000000, -0.0039445200000000, 0.0086367600000000 ] - [ 0.0000741400000000, -0.0040550700000000, 0.0089735800000000 ] - [ 0.0000622700000000, -0.0040913600000000, -0.0088608300000000 ] - [ -0.0015675600000000, -0.0036953700000000, -0.0064838500000000 ] - [ 0.0000742200000000, 0.0041270800000000, -0.0091506600000000 ] - [ 0.0001167800000000, 0.0039216900000000, -0.0087420500000000 ] - [ 0.0000115900000000, 0.0040990400000000, 0.0089163000000000 ] - [ -0.0000065500000000, 0.0040311200000000, 0.0089505300000000 ] - [ -0.0156970400000000, -0.0337141100000000, -0.0314219900000000 ] - [ -0.0158909000000000, -0.0336006400000000, -0.0311442600000000 ] - [ -0.0210407400000000, -0.0494839200000000, -0.0060157100000000 ] - [ -0.0208509900000000, -0.0492725700000000, -0.0061436400000000 ] - [ -0.0206985500000000, 0.0490612900000000, -0.0058289300000000 ] - [ -0.0206647000000000, 0.0491002000000000, -0.0057770600000000 ] - [ 0.0206208400000000, 0.0494329000000000, 0.0059233600000000 ] - [ 0.0205259700000000, 0.0491301300000000, 0.0059051600000000 ] - [ 0.0465202800000000, -0.0143681100000000, -0.0142899800000000 ] - [ 0.0438961700000000, -0.0197823300000000, -0.0216922300000000 ] - [ -0.0435525000000000, -0.0190580900000000, 0.0210357600000000 ] - [ -0.0432037000000000, -0.0188329600000000, 0.0206554400000000 ] - [ -0.0435754600000000, 0.0188468400000000, 0.0209044700000000 ] - [ -0.0436422700000000, 0.0190497400000000, 0.0209046500000000 ] - [ 0.0437923900000000, 0.0190742800000000, -0.0209148900000000 ] - [ 0.0436773400000000, 0.0186756300000000, -0.0207713500000000 ] - [ 0.0433845200000000, -0.0183425700000000, -0.0265324600000000 ] - [ 0.0436564200000000, -0.0190807400000000, -0.0271785100000000 ] - [ -0.0435535800000000, -0.0193670700000000, 0.0270722600000000 ] - [ -0.0449685000000000, -0.0176279700000000, 0.0253933000000000 ] - [ -0.0436775200000000, 0.0185857700000000, 0.0271234700000000 ] - [ -0.0434538100000000, 0.0188351800000000, 0.0269668800000000 ] - [ 0.0435489000000000, 0.0188942600000000, -0.0268714500000000 ] - [ 0.0435534100000000, 0.0188155300000000, -0.0268774900000000 ] - [ 0.0158007800000000, -0.0335121800000000, 0.0314165500000000 ] - [ 0.0158520600000000, -0.0336549800000000, 0.0313925800000000 ] - [ -0.0158560400000000, 0.0335632900000000, -0.0313114300000000 ] - [ -0.0154426000000000, 0.0367604700000000, -0.0331903200000000 ] - [ 0.0161581600000000, 0.0344270800000000, 0.0312009000000000 ] - [ 0.0157189400000000, 0.0334918900000000, 0.0312868300000000 ] - [ 0.0147986300000000, -0.0435230900000000, 0.0091850100000000 ] - [ 0.0209202400000000, -0.0497653600000000, 0.0048312300000000 ] - [ 0.0793211700000000, 0.0160882100000000, -0.0148895300000000 ] - [ 0.0790740300000000, 0.0158410500000000, -0.0147647700000000 ] - [ 0.1315504800000000, 0.0058188000000000, 0.0083306500000000 ] - [ 0.1316712600000000, 0.0057377700000000, 0.0082263900000000 ] - [ 0.1315057900000000, -0.0057161600000000, 0.0082674200000000 ] - [ 0.1308610600000000, -0.0057783800000000, 0.0082004200000000 ] - [ -0.1302408900000000, -0.0046304700000000, -0.0066122600000000 ] - [ -0.1321488000000000, -0.0056238300000000, -0.0084258500000000 ] - [ -0.1315871700000000, 0.0057253100000000, -0.0083418900000000 ] - [ -0.1316517100000000, 0.0058971100000000, -0.0084014900000000 ] - [ -0.0789637200000000, 0.0156289200000000, 0.0143664200000000 ] - [ -0.0789807000000000, 0.0158197500000000, 0.0144059700000000 ] - [ -0.0794106400000000, -0.0158862900000000, 0.0142514400000000 ] - [ -0.0791807400000000, -0.0156758800000000, 0.0144780500000000 ] - [ 0.0790662300000000, -0.0156135400000000, -0.0140431600000000 ] - [ 0.0788480800000000, -0.0148944900000000, -0.0153851100000000 ] - [ -0.0243349100000000, -0.0062526600000000, -0.0636774300000000 ] - [ -0.0244322300000000, -0.0059165600000000, -0.0641619500000000 ] - [ 0.0244575500000000, -0.0059170500000000, 0.0641913100000000 ] - [ 0.0246490700000000, -0.0060304900000000, 0.0640697000000000 ] - [ 0.0245673000000000, 0.0060605700000000, 0.0640838000000000 ] - [ 0.0246595700000000, 0.0059606400000000, 0.0641458800000000 ] - [ -0.0255669400000000, 0.0071746200000000, -0.0615143200000000 ] - [ -0.0237453200000000, 0.0068418100000000, -0.0655881200000000 ] - [ -0.0201904700000000, -0.2540975600000000, 0.0657346200000000 ] - [ -0.0211822000000000, -0.1933761800000000, 0.0721450200000000 ] - [ 0.0212874500000000, -0.1933077600000000, -0.0706401100000000 ] - [ 0.0212079500000000, -0.1933073900000000, -0.0707173100000000 ] - [ 0.0211462300000000, 0.1937346100000000, -0.0708166100000000 ] - [ 0.0211228900000000, 0.1936355000000000, -0.0707187700000000 ] - [ -0.0210090500000000, 0.1938078900000000, 0.0706308400000000 ] - [ -0.0213641500000000, 0.1940529400000000, 0.0704373500000000 ] - [ 0.0568178700000000, -0.0155258900000000, -0.0082689300000000 ] - [ 0.0568998900000000, -0.0155592100000000, -0.0082482700000000 ] - [ -0.0567322100000000, -0.0157475700000000, 0.0083083800000000 ] - [ -0.0568463700000000, -0.0155178500000000, 0.0082489900000000 ] - [ -0.0587359600000000, 0.0155109100000000, 0.0084587400000000 ] - [ -0.0567029500000000, 0.0155521900000000, 0.0083312900000000 ] - [ 0.0568036900000000, 0.0157252800000000, -0.0081220400000000 ] - [ 0.0576121400000000, 0.0158946400000000, -0.0089222100000000 ] - [ -0.0098279600000000, 0.2017855100000000, 0.0798516900000000 ] - [ -0.0076098900000000, 0.2387216200000000, 0.0770425400000000 ] - [ 0.0096488300000000, 0.2019811800000000, -0.0796694800000000 ] - [ 0.0093866500000000, 0.2019899700000000, -0.0795824700000000 ] - [ 0.0096320900000000, -0.2020786800000000, -0.0798640900000000 ] - [ 0.0095825800000000, -0.2020642400000000, -0.0797267700000000 ] - [ -0.0095979200000000, -0.2020886100000000, 0.0798624600000000 ] - [ -0.0095908500000000, -0.2021379800000000, 0.0794536000000000 ]- atom: 89 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0065507500000000, 0.0072015100000000, -0.0168202300000000 ] - [ -0.0065698500000000, 0.0072411400000000, -0.0168015300000000 ] - [ -0.0067512600000000, -0.0073430800000000, -0.0167582900000000 ] - [ -0.0063434700000000, -0.0070931800000000, -0.0166549200000000 ] - [ 0.0065438800000000, -0.0071310100000000, 0.0166575700000000 ] - [ 0.0042124500000000, -0.0076091600000000, 0.0159677700000000 ] - [ 0.0064783400000000, 0.0072440900000000, 0.0171080500000000 ] - [ 0.0066975600000000, 0.0070894600000000, 0.0164535400000000 ] - [ -0.0015567700000000, -0.0003238900000000, -0.0054284000000000 ] - [ -0.0015227700000000, -0.0001926500000000, -0.0053284600000000 ] - [ 0.0015594000000000, -0.0002671900000000, 0.0053216900000000 ] - [ 0.0015028400000000, -0.0002630000000000, 0.0053686400000000 ] - [ 0.0015360600000000, 0.0005987000000000, 0.0053994300000000 ] - [ 0.0014646300000000, 0.0001313500000000, 0.0054152500000000 ] - [ -0.0039784300000000, -0.0021317400000000, -0.0045147900000000 ] - [ -0.0012700600000000, 0.0002719000000000, -0.0053592300000000 ] - [ 0.0116708800000000, -0.0068282000000000, 0.0015744600000000 ] - [ 0.0116153100000000, -0.0061609400000000, 0.0015078400000000 ] - [ -0.0116845600000000, -0.0066204900000000, -0.0017531300000000 ] - [ -0.0116590000000000, -0.0066877200000000, -0.0015869600000000 ] - [ -0.0116366700000000, 0.0067362100000000, -0.0014823400000000 ] - [ -0.0114782400000000, 0.0065391500000000, -0.0015637700000000 ] - [ 0.0130790200000000, 0.0043973800000000, 0.0036973600000000 ] - [ 0.0115753500000000, 0.0066509600000000, 0.0014231300000000 ] - [ 0.0001767400000000, -0.0041560800000000, 0.0091614500000000 ] - [ -0.0001274300000000, -0.0040455600000000, 0.0088249100000000 ] - [ -0.0000089700000000, -0.0040082400000000, -0.0089371600000000 ] - [ 0.0016350800000000, -0.0044009800000000, -0.0113378400000000 ] - [ -0.0000203800000000, 0.0039728700000000, -0.0086484400000000 ] - [ -0.0000633700000000, 0.0041770300000000, -0.0090569300000000 ] - [ -0.0000640300000000, 0.0040034800000000, 0.0088818400000000 ] - [ -0.0000469100000000, 0.0040708900000000, 0.0088486200000000 ] - [ -0.0160564900000000, -0.0334797400000000, -0.0313535400000000 ] - [ -0.0158596200000000, -0.0335928900000000, -0.0316290600000000 ] - [ -0.0203197800000000, -0.0488098400000000, -0.0055327600000000 ] - [ -0.0205099100000000, -0.0490233800000000, -0.0054085300000000 ] - [ -0.0206605700000000, 0.0492332100000000, -0.0057215100000000 ] - [ -0.0206946900000000, 0.0491936200000000, -0.0057742100000000 ] - [ 0.0207391500000000, 0.0488569700000000, 0.0056274700000000 ] - [ 0.0208323900000000, 0.0491636700000000, 0.0056455800000000 ] - [ 0.0406502400000000, -0.0235603400000000, -0.0276539900000000 ] - [ 0.0432863100000000, -0.0180768000000000, -0.0202192000000000 ] - [ -0.0436291800000000, -0.0187996000000000, 0.0208711900000000 ] - [ -0.0439757200000000, -0.0190264500000000, 0.0212520500000000 ] - [ -0.0436048600000000, 0.0190119000000000, 0.0210005800000000 ] - [ -0.0435377600000000, 0.0188084300000000, 0.0210002400000000 ] - [ 0.0433853700000000, 0.0187764900000000, -0.0209871000000000 ] - [ 0.0435034800000000, 0.0191774400000000, -0.0211297600000000 ] - [ 0.0437002500000000, -0.0193081600000000, -0.0272483200000000 ] - [ 0.0434253300000000, -0.0185738300000000, -0.0266050100000000 ] - [ -0.0435303500000000, -0.0182868100000000, 0.0267136000000000 ] - [ -0.0421249800000000, -0.0200595700000000, 0.0283941100000000 ] - [ -0.0434044800000000, 0.0190714300000000, 0.0266600200000000 ] - [ -0.0436289700000000, 0.0188211700000000, 0.0268185700000000 ] - [ 0.0435341100000000, 0.0187600000000000, -0.0269132600000000 ] - [ 0.0435303100000000, 0.0188390800000000, -0.0269081800000000 ] - [ 0.0159514400000000, -0.0336826800000000, 0.0313576400000000 ] - [ 0.0158992600000000, -0.0335393900000000, 0.0313819600000000 ] - [ -0.0158949400000000, 0.0336371600000000, -0.0314595400000000 ] - [ -0.0163032500000000, 0.0304108200000000, -0.0295822800000000 ] - [ 0.0155951500000000, 0.0327716700000000, 0.0315716100000000 ] - [ 0.0160297600000000, 0.0337061900000000, 0.0314870800000000 ] - [ 0.0265739800000000, -0.0548345100000000, 0.0023448300000000 ] - [ 0.0204449000000000, -0.0485293000000000, 0.0067082800000000 ] - [ 0.0787847300000000, 0.0154442600000000, -0.0138435700000000 ] - [ 0.0790309900000000, 0.0156964900000000, -0.0139642500000000 ] - [ 0.1316094100000000, 0.0057809300000000, 0.0083031100000000 ] - [ 0.1314881800000000, 0.0058625700000000, 0.0084066300000000 ] - [ 0.1316557600000000, -0.0058842600000000, 0.0083662900000000 ] - [ 0.1322919200000000, -0.0058221900000000, 0.0084289000000000 ] - [ -0.1329122700000000, -0.0069666200000000, -0.0100178100000000 ] - [ -0.1309989800000000, -0.0059900000000000, -0.0081994600000000 ] - [ -0.1315741700000000, 0.0058753700000000, -0.0082929500000000 ] - [ -0.1315098800000000, 0.0057029900000000, -0.0082313000000000 ] - [ -0.0791445100000000, 0.0159027400000000, 0.0143630300000000 ] - [ -0.0791261400000000, 0.0157112200000000, 0.0143249000000000 ] - [ -0.0786971100000000, -0.0156476300000000, 0.0144780700000000 ] - [ -0.0789253500000000, -0.0158575500000000, 0.0142512800000000 ] - [ 0.0790388600000000, -0.0159161300000000, -0.0146853700000000 ] - [ 0.0792536300000000, -0.0166366600000000, -0.0133534800000000 ] - [ -0.0246135700000000, -0.0057851200000000, -0.0645994000000000 ] - [ -0.0245164900000000, -0.0061296900000000, -0.0641119800000000 ] - [ 0.0244938700000000, -0.0061301300000000, 0.0640825700000000 ] - [ 0.0243015600000000, -0.0060171100000000, 0.0642054600000000 ] - [ 0.0243828000000000, 0.0059841800000000, 0.0641908100000000 ] - [ 0.0242884700000000, 0.0060877000000000, 0.0641284800000000 ] - [ -0.0233726600000000, 0.0048774500000000, -0.0667530900000000 ] - [ -0.0252021700000000, 0.0051918600000000, -0.0626740200000000 ] - [ -0.0220224800000000, -0.1312185200000000, 0.0758613200000000 ] - [ -0.0210578800000000, -0.1937593300000000, 0.0694430400000000 ] - [ 0.0209556900000000, -0.1938370300000000, -0.0709441400000000 ] - [ 0.0210380000000000, -0.1938371600000000, -0.0708664000000000 ] - [ 0.0210958800000000, 0.1934114300000000, -0.0707666400000000 ] - [ 0.0211196100000000, 0.1935111100000000, -0.0708654700000000 ] - [ -0.0212373000000000, 0.1933400700000000, 0.0709478500000000 ] - [ -0.0208810400000000, 0.1930936600000000, 0.0711405100000000 ] - [ 0.0569151100000000, -0.0155816800000000, -0.0081201500000000 ] - [ 0.0568330200000000, -0.0155486600000000, -0.0081409700000000 ] - [ -0.0570009500000000, -0.0153584000000000, 0.0080783600000000 ] - [ -0.0568856100000000, -0.0155905500000000, 0.0081406300000000 ] - [ -0.0550109700000000, 0.0155952900000000, 0.0079281800000000 ] - [ -0.0570261800000000, 0.0155559700000000, 0.0080596200000000 ] - [ 0.0569287000000000, 0.0153837200000000, -0.0082665000000000 ] - [ 0.0561291900000000, 0.0152080200000000, -0.0074697000000000 ] - [ -0.0093513000000000, 0.2022460400000000, 0.0797628400000000 ] - [ -0.0116229100000000, 0.1636483300000000, 0.0826786900000000 ] - [ 0.0095249900000000, 0.2020762200000000, -0.0799388200000000 ] - [ 0.0097912100000000, 0.2020671300000000, -0.0800245100000000 ] - [ 0.0095438500000000, -0.2019802100000000, -0.0797445900000000 ] - [ 0.0095932500000000, -0.2019952900000000, -0.0798815900000000 ] - [ -0.0095758200000000, -0.2019658900000000, 0.0797467000000000 ] - [ -0.0095834700000000, -0.2019179000000000, 0.0801511600000000 ]- atom: 89 displacement: [ -0.0000427683518374, 0.0000000000000000, 0.0099999085429858 ] forces: - [ -0.0067236000000000, 0.0072114300000000, -0.0167399700000000 ] - [ -0.0066055400000000, 0.0072317300000000, -0.0167458700000000 ] - [ -0.0063912900000000, -0.0072843100000000, -0.0167254900000000 ] - [ -0.0064339800000000, -0.0071283800000000, -0.0167602800000000 ] - [ 0.0066115400000000, -0.0071620100000000, 0.0168131400000000 ] - [ 0.0072726400000000, -0.0071575000000000, 0.0169861600000000 ] - [ 0.0066330000000000, 0.0072952700000000, 0.0164676800000000 ] - [ 0.0066242100000000, 0.0071788100000000, 0.0165431300000000 ] - [ -0.0015486500000000, -0.0005608800000000, -0.0057249800000000 ] - [ -0.0014531000000000, -0.0002414000000000, -0.0054934900000000 ] - [ 0.0015589400000000, -0.0002693700000000, 0.0053976400000000 ] - [ 0.0015348800000000, -0.0002939000000000, 0.0053714400000000 ] - [ 0.0014414600000000, 0.0003061300000000, 0.0053563600000000 ] - [ 0.0012998300000000, 0.0001924000000000, 0.0055434000000000 ] - [ -0.0028555300000000, -0.0002128500000000, -0.0052778800000000 ] - [ -0.0012099100000000, 0.0000050100000000, -0.0053439500000000 ] - [ 0.0117329900000000, -0.0067642400000000, 0.0012532800000000 ] - [ 0.0116149500000000, -0.0065676200000000, 0.0013376900000000 ] - [ -0.0116736200000000, -0.0066789100000000, -0.0014993900000000 ] - [ -0.0116629800000000, -0.0066827700000000, -0.0014966500000000 ] - [ -0.0115817800000000, 0.0066850600000000, -0.0016060500000000 ] - [ -0.0114039500000000, 0.0066052600000000, -0.0018235300000000 ] - [ 0.0139290200000000, 0.0047988000000000, 0.0043778700000000 ] - [ 0.0114267700000000, 0.0063480200000000, 0.0012267900000000 ] - [ -0.0000005000000000, -0.0040608300000000, 0.0088591100000000 ] - [ -0.0000898700000000, -0.0039972400000000, 0.0088238400000000 ] - [ 0.0000043200000000, -0.0039759300000000, -0.0087955200000000 ] - [ -0.0026956000000000, -0.0020190600000000, -0.0054419700000000 ] - [ -0.0000790200000000, 0.0039739100000000, -0.0090942000000000 ] - [ 0.0000500900000000, 0.0044834300000000, -0.0090632400000000 ] - [ 0.0000452300000000, 0.0040504400000000, 0.0089173600000000 ] - [ -0.0000252600000000, 0.0040447500000000, 0.0089525900000000 ] - [ -0.0160158900000000, -0.0335227400000000, -0.0313789800000000 ] - [ -0.0158892600000000, -0.0337885000000000, -0.0312000600000000 ] - [ -0.0204578200000000, -0.0486293700000000, -0.0053628700000000 ] - [ -0.0203119400000000, -0.0488850900000000, -0.0053150000000000 ] - [ -0.0207174000000000, 0.0492292000000000, -0.0058026700000000 ] - [ -0.0207182600000000, 0.0490821900000000, -0.0057690200000000 ] - [ 0.0203882100000000, 0.0496793600000000, 0.0060856400000000 ] - [ 0.0206318000000000, 0.0491227500000000, 0.0057830300000000 ] - [ 0.0553861200000000, -0.0132190200000000, 0.0160075300000000 ] - [ 0.0432892300000000, -0.0186705600000000, -0.0208734700000000 ] - [ -0.0437498700000000, -0.0188888900000000, 0.0209085800000000 ] - [ -0.0432605700000000, -0.0192321400000000, 0.0207734300000000 ] - [ -0.0434600000000000, 0.0190141700000000, 0.0209780300000000 ] - [ -0.0436045400000000, 0.0188740200000000, 0.0209498200000000 ] - [ 0.0438927500000000, 0.0190128400000000, -0.0210346100000000 ] - [ 0.0435405500000000, 0.0189183500000000, -0.0209290800000000 ] - [ 0.0434459100000000, -0.0183610100000000, -0.0267332700000000 ] - [ 0.0433750700000000, -0.0188202700000000, -0.0268832600000000 ] - [ -0.0434952700000000, -0.0188172900000000, 0.0269497500000000 ] - [ -0.0435424900000000, -0.0193959000000000, 0.0282419300000000 ] - [ -0.0433751500000000, 0.0188951500000000, 0.0268279400000000 ] - [ -0.0435117400000000, 0.0187996900000000, 0.0268132200000000 ] - [ 0.0436562500000000, 0.0188026300000000, -0.0269153100000000 ] - [ 0.0435414200000000, 0.0189411300000000, -0.0269220400000000 ] - [ 0.0157249800000000, -0.0334881500000000, 0.0314808000000000 ] - [ 0.0158749400000000, -0.0335945700000000, 0.0313989300000000 ] - [ -0.0161647400000000, 0.0331311000000000, -0.0306754100000000 ] - [ -0.0159415200000000, 0.0325618800000000, -0.0312383600000000 ] - [ 0.0159838700000000, 0.0334577800000000, 0.0311483900000000 ] - [ 0.0158874400000000, 0.0336823800000000, 0.0314281100000000 ] - [ 0.0055597200000000, -0.0457386400000000, 0.0163955900000000 ] - [ 0.0206373800000000, -0.0490553000000000, 0.0061695500000000 ] - [ 0.0787253300000000, 0.0151289400000000, -0.0146031700000000 ] - [ 0.0790335900000000, 0.0157463600000000, -0.0141976000000000 ] - [ 0.1314299100000000, 0.0057616000000000, 0.0083518500000000 ] - [ 0.1316388800000000, 0.0057490300000000, 0.0084921500000000 ] - [ 0.1316122800000000, -0.0058222000000000, 0.0081955700000000 ] - [ 0.1312110200000000, -0.0057717900000000, 0.0075194400000000 ] - [ -0.1313064100000000, -0.0058406800000000, -0.0083796200000000 ] - [ -0.1313189300000000, -0.0059567500000000, -0.0083752600000000 ] - [ -0.1317133900000000, 0.0058421500000000, -0.0082089300000000 ] - [ -0.1315849000000000, 0.0057607600000000, -0.0083537200000000 ] - [ -0.0788781000000000, 0.0158352900000000, 0.0144015100000000 ] - [ -0.0790571500000000, 0.0157178600000000, 0.0143880700000000 ] - [ -0.0792539300000000, -0.0157009600000000, 0.0143837400000000 ] - [ -0.0788448300000000, -0.0157603200000000, 0.0143721700000000 ] - [ 0.0792446200000000, -0.0156918300000000, -0.0141676000000000 ] - [ 0.0805357100000000, -0.0176597600000000, -0.0112276300000000 ] - [ -0.0239322700000000, -0.0061344500000000, -0.0626346700000000 ] - [ -0.0244621500000000, -0.0060340600000000, -0.0641502400000000 ] - [ 0.0244552400000000, -0.0060298300000000, 0.0641095200000000 ] - [ 0.0244426100000000, -0.0059969900000000, 0.0642170600000000 ] - [ 0.0244280900000000, 0.0057180000000000, 0.0640283900000000 ] - [ 0.0244543600000000, 0.0063549000000000, 0.0641029100000000 ] - [ -0.0246493900000000, 0.0083311900000000, -0.0624952400000000 ] - [ -0.0248398700000000, 0.0050237100000000, -0.0634034100000000 ] - [ -0.0164325600000000, -0.1989068700000000, 0.0050831600000000 ] - [ -0.0211179300000000, -0.1922144000000000, 0.0706590200000000 ] - [ 0.0212752000000000, -0.1936505800000000, -0.0708408000000000 ] - [ 0.0207970300000000, -0.1937256900000000, -0.0708419400000000 ] - [ 0.0211423400000000, 0.1935479000000000, -0.0707587500000000 ] - [ 0.0210901500000000, 0.1936467300000000, -0.0707974100000000 ] - [ -0.0210474000000000, 0.1937301700000000, 0.0704484500000000 ] - [ -0.0211356400000000, 0.1939185000000000, 0.0710138700000000 ] - [ 0.0569704900000000, -0.0156068400000000, -0.0081827800000000 ] - [ 0.0568511100000000, -0.0155572000000000, -0.0081042200000000 ] - [ -0.0563722000000000, -0.0156728200000000, 0.0085882200000000 ] - [ -0.0568934600000000, -0.0155785600000000, 0.0082499200000000 ] - [ -0.0564899900000000, 0.0145012200000000, 0.0066939800000000 ] - [ -0.0569226300000000, 0.0153370300000000, 0.0081338500000000 ] - [ 0.0565607700000000, 0.0155904000000000, -0.0082885600000000 ] - [ 0.0548047800000000, 0.0143629100000000, -0.0069385300000000 ] - [ -0.0094023800000000, 0.2014324800000000, 0.0793195400000000 ] - [ -0.0102413600000000, 0.2022936200000000, 0.0835029800000000 ] - [ 0.0096892000000000, 0.2019821700000000, -0.0798145900000000 ] - [ 0.0095535000000000, 0.2020848500000000, -0.0798034600000000 ] - [ 0.0095765100000000, -0.2020668600000000, -0.0797531300000000 ] - [ 0.0095800300000000, -0.2020841200000000, -0.0797646200000000 ] - [ -0.0095685600000000, -0.2023388100000000, 0.0802018200000000 ] - [ -0.0095821800000000, -0.2020458300000000, 0.0797268100000000 ]- atom: 89 displacement: [ 0.0000427683518374, 0.0000000000000000, -0.0099999085429858 ] forces: - [ -0.0064631600000000, 0.0072376900000000, -0.0167637700000000 ] - [ -0.0065814700000000, 0.0072163700000000, -0.0167620800000000 ] - [ -0.0068003800000000, -0.0071651200000000, -0.0167797600000000 ] - [ -0.0067537500000000, -0.0073225200000000, -0.0167452600000000 ] - [ 0.0065786300000000, -0.0072846000000000, 0.0166927700000000 ] - [ 0.0059126800000000, -0.0072965700000000, 0.0165170900000000 ] - [ 0.0065520700000000, 0.0071575700000000, 0.0170448400000000 ] - [ 0.0065635600000000, 0.0072717500000000, 0.0169636600000000 ] - [ -0.0014430300000000, 0.0000093900000000, -0.0050481100000000 ] - [ -0.0015396600000000, -0.0003084500000000, -0.0052793800000000 ] - [ 0.0014333200000000, -0.0002811600000000, 0.0053740100000000 ] - [ 0.0014568800000000, -0.0002559900000000, 0.0054014400000000 ] - [ 0.0015500300000000, 0.0002452200000000, 0.0054175800000000 ] - [ 0.0016918400000000, 0.0003555400000000, 0.0052302600000000 ] - [ -0.0001472400000000, 0.0007542000000000, -0.0054713100000000 ] - [ -0.0017837100000000, 0.0005461700000000, -0.0054269300000000 ] - [ 0.0115970400000000, -0.0065944500000000, 0.0018511400000000 ] - [ 0.0117140700000000, -0.0067895400000000, 0.0017651800000000 ] - [ -0.0116553800000000, -0.0066773800000000, -0.0016062200000000 ] - [ -0.0116653700000000, -0.0066740200000000, -0.0016053000000000 ] - [ -0.0117464000000000, 0.0066731000000000, -0.0014946400000000 ] - [ -0.0119259400000000, 0.0067510900000000, -0.0012763900000000 ] - [ 0.0093412100000000, 0.0086250000000000, -0.0013258900000000 ] - [ 0.0119018100000000, 0.0070070400000000, 0.0018744800000000 ] - [ -0.0000526800000000, -0.0040397900000000, 0.0089414600000000 ] - [ 0.0000356700000000, -0.0041022900000000, 0.0089742100000000 ] - [ 0.0000478400000000, -0.0041257400000000, -0.0090025200000000 ] - [ 0.0028298600000000, -0.0061574500000000, -0.0124312300000000 ] - [ 0.0001342700000000, 0.0041261700000000, -0.0087021900000000 ] - [ 0.0000049400000000, 0.0036165600000000, -0.0087346800000000 ] - [ -0.0000986400000000, 0.0040508000000000, 0.0088806100000000 ] - [ -0.0000288100000000, 0.0040576000000000, 0.0088454800000000 ] - [ -0.0157389600000000, -0.0336692100000000, -0.0313965400000000 ] - [ -0.0158599600000000, -0.0334097200000000, -0.0315786500000000 ] - [ -0.0208997800000000, -0.0496563700000000, -0.0061806000000000 ] - [ -0.0210494900000000, -0.0494093000000000, -0.0062338300000000 ] - [ -0.0206418900000000, 0.0490657400000000, -0.0057482700000000 ] - [ -0.0206408900000000, 0.0492111300000000, -0.0057824100000000 ] - [ 0.0209731400000000, 0.0486124700000000, 0.0054536800000000 ] - [ 0.0207302600000000, 0.0491709600000000, 0.0057657900000000 ] - [ 0.0323106900000000, -0.0242438500000000, -0.0566356500000000 ] - [ 0.0438918500000000, -0.0191829400000000, -0.0210365800000000 ] - [ -0.0434329300000000, -0.0189674400000000, 0.0209971200000000 ] - [ -0.0439236900000000, -0.0186241500000000, 0.0211372100000000 ] - [ -0.0437216800000000, 0.0188447600000000, 0.0209270600000000 ] - [ -0.0435761300000000, 0.0189832200000000, 0.0209546400000000 ] - [ 0.0432868200000000, 0.0188431400000000, -0.0208741000000000 ] - [ 0.0436386100000000, 0.0189401300000000, -0.0209786000000000 ] - [ 0.0436402600000000, -0.0192996800000000, -0.0270494400000000 ] - [ 0.0437080500000000, -0.0188329500000000, -0.0269016300000000 ] - [ -0.0435893700000000, -0.0188351000000000, 0.0268324100000000 ] - [ -0.0435308100000000, -0.0182789500000000, 0.0255335300000000 ] - [ -0.0437040900000000, 0.0187649900000000, 0.0269483400000000 ] - [ -0.0435720200000000, 0.0188553700000000, 0.0269705500000000 ] - [ 0.0434261500000000, 0.0188522300000000, -0.0268704000000000 ] - [ 0.0435419100000000, 0.0187146900000000, -0.0268630600000000 ] - [ 0.0160267600000000, -0.0337085400000000, 0.0312919600000000 ] - [ 0.0158762700000000, -0.0335999300000000, 0.0313755000000000 ] - [ -0.0155850400000000, 0.0340719600000000, -0.0321003900000000 ] - [ -0.0158130100000000, 0.0346384200000000, -0.0315427000000000 ] - [ 0.0157615300000000, 0.0337237000000000, 0.0316293700000000 ] - [ 0.0158625500000000, 0.0335169900000000, 0.0313500200000000 ] - [ 0.0355125300000000, -0.0524477500000000, -0.0047619600000000 ] - [ 0.0207248900000000, -0.0492352400000000, 0.0053788100000000 ] - [ 0.0793772900000000, 0.0163930300000000, -0.0141141900000000 ] - [ 0.0790726600000000, 0.0157862600000000, -0.0145301900000000 ] - [ 0.1317310100000000, 0.0058386000000000, 0.0082840800000000 ] - [ 0.1315221400000000, 0.0058496100000000, 0.0081431800000000 ] - [ 0.1315504800000000, -0.0057765600000000, 0.0084378500000000 ] - [ 0.1319522900000000, -0.0058357400000000, 0.0091107000000000 ] - [ -0.1318521600000000, -0.0057610000000000, -0.0082472200000000 ] - [ -0.1318391300000000, -0.0056395500000000, -0.0082531000000000 ] - [ -0.1314463000000000, 0.0057589500000000, -0.0084246300000000 ] - [ -0.1315753500000000, 0.0058379700000000, -0.0082778100000000 ] - [ -0.0792297900000000, 0.0156971200000000, 0.0143298400000000 ] - [ -0.0790493700000000, 0.0158137000000000, 0.0143429700000000 ] - [ -0.0788464700000000, -0.0158284000000000, 0.0143459600000000 ] - [ -0.0792603500000000, -0.0157747900000000, 0.0143560400000000 ] - [ 0.0788627400000000, -0.0158385300000000, -0.0145626800000000 ] - [ 0.0775890700000000, -0.0138894900000000, -0.0174630700000000 ] - [ -0.0250191500000000, -0.0059132700000000, -0.0656559300000000 ] - [ -0.0244889500000000, -0.0060137300000000, -0.0641241500000000 ] - [ 0.0244962100000000, -0.0060181900000000, 0.0641643400000000 ] - [ 0.0245079800000000, -0.0060504000000000, 0.0640589500000000 ] - [ 0.0245269800000000, 0.0063225500000000, 0.0642459000000000 ] - [ 0.0245015400000000, 0.0056963200000000, 0.0641701800000000 ] - [ -0.0242907400000000, 0.0037315100000000, -0.0657697900000000 ] - [ -0.0241126500000000, 0.0070186900000000, -0.0648719200000000 ] - [ -0.0261259000000000, -0.1887634800000000, 0.1352424900000000 ] - [ -0.0211265000000000, -0.1949162800000000, 0.0709332900000000 ] - [ 0.0209614200000000, -0.1935015000000000, -0.0707445700000000 ] - [ 0.0214458000000000, -0.1934225200000000, -0.0707415500000000 ] - [ 0.0211004400000000, 0.1935978900000000, -0.0708260700000000 ] - [ 0.0211529300000000, 0.1934997000000000, -0.0707877000000000 ] - [ -0.0211981200000000, 0.1934118900000000, 0.0711386400000000 ] - [ -0.0211055800000000, 0.1932168900000000, 0.0705700900000000 ] - [ 0.0567619200000000, -0.0155013200000000, -0.0082048400000000 ] - [ 0.0568804000000000, -0.0155490400000000, -0.0082843700000000 ] - [ -0.0573640600000000, -0.0154316800000000, 0.0077986400000000 ] - [ -0.0568394700000000, -0.0155288200000000, 0.0081394900000000 ] - [ -0.0572143300000000, 0.0166011100000000, 0.0096946100000000 ] - [ -0.0568065100000000, 0.0157679400000000, 0.0082580500000000 ] - [ 0.0571668500000000, 0.0155136500000000, -0.0080974300000000 ] - [ 0.0589152500000000, 0.0167364700000000, -0.0094563400000000 ] - [ -0.0097731600000000, 0.2026128300000000, 0.0802806500000000 ] - [ -0.0089074900000000, 0.2018552500000000, 0.0760707700000000 ] - [ 0.0094862900000000, 0.2020803100000000, -0.0797958700000000 ] - [ 0.0096240400000000, 0.2019741900000000, -0.0798049200000000 ] - [ 0.0095992800000000, -0.2019929000000000, -0.0798551400000000 ] - [ 0.0095959000000000, -0.2019769700000000, -0.0798436900000000 ] - [ -0.0096051300000000, -0.2017155500000000, 0.0794060800000000 ] - [ -0.0095968700000000, -0.2020077000000000, 0.0798846200000000 ]- atom: 97 displacement: [ 0.0099999992956673, 0.0000000000000000, 0.0000037532191477 ] forces: - [ -0.0059814500000000, 0.0069639700000000, -0.0165379900000000 ] - [ -0.0062851800000000, 0.0076477500000000, -0.0167355200000000 ] - [ -0.0064226100000000, -0.0072437800000000, -0.0169312400000000 ] - [ -0.0065548500000000, -0.0072508700000000, -0.0167939300000000 ] - [ 0.0067494600000000, -0.0072027200000000, 0.0167594000000000 ] - [ 0.0067202100000000, -0.0071853400000000, 0.0165726600000000 ] - [ 0.0072820100000000, 0.0072930200000000, 0.0168539300000000 ] - [ 0.0067313600000000, 0.0071209700000000, 0.0167800500000000 ] - [ -0.0018698600000000, 0.0000449300000000, -0.0053702900000000 ] - [ -0.0018617100000000, -0.0006175100000000, -0.0053443300000000 ] - [ 0.0007883400000000, -0.0003177000000000, 0.0055688100000000 ] - [ 0.0012394700000000, -0.0002528000000000, 0.0054753400000000 ] - [ 0.0013688500000000, 0.0002751500000000, 0.0053491800000000 ] - [ 0.0014100400000000, 0.0002718900000000, 0.0053317600000000 ] - [ -0.0015975400000000, 0.0003664400000000, -0.0056947300000000 ] - [ -0.0015544500000000, 0.0002793400000000, -0.0054573200000000 ] - [ 0.0119655200000000, -0.0064612700000000, 0.0017223300000000 ] - [ 0.0118789000000000, -0.0068356100000000, 0.0016833200000000 ] - [ -0.0061197900000000, -0.0071515500000000, -0.0064072700000000 ] - [ -0.0115753000000000, -0.0066727300000000, -0.0015173800000000 ] - [ -0.0115670300000000, 0.0068519700000000, -0.0015952100000000 ] - [ -0.0117456300000000, 0.0066616200000000, -0.0016940800000000 ] - [ 0.0129591300000000, 0.0061461400000000, 0.0036153800000000 ] - [ 0.0117026800000000, 0.0066994100000000, 0.0014838100000000 ] - [ -0.0004715300000000, -0.0041404500000000, 0.0088019100000000 ] - [ -0.0000549400000000, -0.0040422300000000, 0.0088573900000000 ] - [ 0.0000250500000000, -0.0043005300000000, -0.0090026000000000 ] - [ -0.0001356100000000, -0.0040742100000000, -0.0090283600000000 ] - [ -0.0002008700000000, 0.0040260600000000, -0.0084229000000000 ] - [ -0.0000965400000000, 0.0040494200000000, -0.0089039800000000 ] - [ -0.0001602600000000, 0.0040152900000000, 0.0089195100000000 ] - [ -0.0002254800000000, 0.0040952200000000, 0.0090514600000000 ] - [ 0.0152582500000000, -0.0175975300000000, -0.0337201000000000 ] - [ -0.0155703900000000, -0.0329709400000000, -0.0305651100000000 ] - [ -0.0204991900000000, -0.0493549300000000, -0.0057060700000000 ] - [ -0.0206477600000000, -0.0492109700000000, -0.0057287000000000 ] - [ -0.0058799700000000, 0.0384216800000000, 0.0077992700000000 ] - [ -0.0206697600000000, 0.0488879300000000, -0.0054482700000000 ] - [ 0.0309238700000000, 0.0363101900000000, -0.0027702000000000 ] - [ 0.0208922000000000, 0.0492270200000000, 0.0061340700000000 ] - [ 0.0435340900000000, -0.0189946700000000, -0.0209942300000000 ] - [ 0.0436706700000000, -0.0192209100000000, -0.0209809200000000 ] - [ -0.0438141700000000, -0.0187539800000000, 0.0207969500000000 ] - [ -0.0436657300000000, -0.0188681900000000, 0.0209268100000000 ] - [ -0.0439993800000000, 0.0188982300000000, 0.0206203200000000 ] - [ -0.0437255500000000, 0.0191567500000000, 0.0207688200000000 ] - [ 0.0428350100000000, 0.0198138700000000, -0.0212022800000000 ] - [ 0.0438945600000000, 0.0196271300000000, -0.0207897400000000 ] - [ 0.0433983100000000, -0.0189107900000000, -0.0268131800000000 ] - [ 0.0434429300000000, -0.0189210800000000, -0.0268634300000000 ] - [ -0.0436937600000000, -0.0186062500000000, 0.0269619400000000 ] - [ -0.0436462400000000, -0.0187810200000000, 0.0269670900000000 ] - [ -0.0443638000000000, 0.0183739500000000, 0.0268505600000000 ] - [ -0.0438316100000000, 0.0188468100000000, 0.0272021800000000 ] - [ 0.0432873000000000, 0.0189358700000000, -0.0268455100000000 ] - [ 0.0430259000000000, 0.0186386400000000, -0.0270306600000000 ] - [ 0.0155601100000000, -0.0340230400000000, 0.0313917000000000 ] - [ 0.0162604300000000, -0.0339899500000000, 0.0311599600000000 ] - [ -0.0156644100000000, 0.0335826500000000, -0.0314704600000000 ] - [ -0.0156998600000000, 0.0335705000000000, -0.0314377100000000 ] - [ 0.0159421400000000, 0.0337451800000000, 0.0312861500000000 ] - [ 0.0159103500000000, 0.0338455100000000, 0.0313338300000000 ] - [ 0.0209261400000000, -0.0491006700000000, 0.0057693000000000 ] - [ 0.0207369000000000, -0.0491250700000000, 0.0057518400000000 ] - [ 0.0816664100000000, 0.0159647300000000, -0.0141160800000000 ] - [ 0.0798298300000000, 0.0149976600000000, -0.0147522600000000 ] - [ 0.1323067200000000, 0.0061106700000000, 0.0083069500000000 ] - [ 0.1322112800000000, 0.0058767600000000, 0.0086562400000000 ] - [ 0.1317186300000000, -0.0058112300000000, 0.0083348300000000 ] - [ 0.1316871800000000, -0.0058284700000000, 0.0083031800000000 ] - [ -0.1314687100000000, -0.0058249900000000, -0.0083366700000000 ] - [ -0.1315148300000000, -0.0057448200000000, -0.0082966300000000 ] - [ -0.1310431800000000, 0.0051749500000000, -0.0081276500000000 ] - [ -0.1309621900000000, 0.0056262500000000, -0.0082774000000000 ] - [ -0.0789222900000000, 0.0158271000000000, 0.0147110700000000 ] - [ -0.0789690700000000, 0.0158368300000000, 0.0146450700000000 ] - [ -0.0785977100000000, -0.0157226500000000, 0.0145137600000000 ] - [ -0.0789709700000000, -0.0158093500000000, 0.0143467100000000 ] - [ 0.0792178200000000, -0.0155352600000000, -0.0146306500000000 ] - [ 0.0791196800000000, -0.0158419800000000, -0.0144258200000000 ] - [ -0.0243129700000000, -0.0093161600000000, -0.0639039200000000 ] - [ -0.0250583700000000, -0.0058689600000000, -0.0638136500000000 ] - [ 0.0261531400000000, -0.0063616500000000, 0.0661074400000000 ] - [ 0.0246082500000000, -0.0056271300000000, 0.0639762700000000 ] - [ 0.0243915000000000, 0.0056478500000000, 0.0639889800000000 ] - [ 0.0244167700000000, 0.0060719900000000, 0.0641365800000000 ] - [ -0.0246196700000000, 0.0059171600000000, -0.0642813000000000 ] - [ -0.0245344600000000, 0.0060356900000000, -0.0640696100000000 ] - [ -0.0212493300000000, -0.1936220900000000, 0.0708961400000000 ] - [ -0.0212127900000000, -0.1935398900000000, 0.0707768500000000 ] - [ 0.0212380200000000, -0.1937074200000000, -0.0702969700000000 ] - [ 0.0211838600000000, -0.1935919100000000, -0.0708188100000000 ] - [ 0.0220453700000000, 0.1917212900000000, -0.0704238600000000 ] - [ 0.0213669800000000, 0.1937293000000000, -0.0708518900000000 ] - [ -0.0188972300000000, 0.1928290200000000, 0.0687350300000000 ] - [ -0.0209593300000000, 0.1936343100000000, 0.0704889800000000 ] - [ -0.0164905000000000, -0.0039776100000000, -0.0097379800000000 ] - [ 0.0566342800000000, -0.0156154400000000, -0.0083430300000000 ] - [ -0.0577175000000000, -0.0144962400000000, 0.0091756800000000 ] - [ -0.0577114100000000, -0.0155337600000000, 0.0080205100000000 ] - [ -0.0574202200000000, 0.0158393700000000, 0.0081692100000000 ] - [ -0.0569468800000000, 0.0155315200000000, 0.0082260600000000 ] - [ 0.0566113300000000, 0.0155539600000000, -0.0081931200000000 ] - [ 0.0566650100000000, 0.0155501100000000, -0.0080523600000000 ] - [ -0.0096758700000000, 0.2020138500000000, 0.0799265500000000 ] - [ -0.0096029200000000, 0.2020165800000000, 0.0797859600000000 ] - [ 0.0096450000000000, 0.2019788800000000, -0.0796246400000000 ] - [ 0.0095708400000000, 0.2019968500000000, -0.0797910900000000 ] - [ 0.0100356100000000, -0.2012505100000000, -0.0799138000000000 ] - [ 0.0103343600000000, -0.2017392900000000, -0.0796778800000000 ] - [ -0.0067745500000000, -0.2013823300000000, 0.0781772100000000 ] - [ -0.0094928700000000, -0.2022447300000000, 0.0796084800000000 ]- atom: 97 displacement: [ -0.0099999992956673, 0.0000000000000000, -0.0000037532191477 ] forces: - [ -0.0072097000000000, 0.0074718600000000, -0.0169646800000000 ] - [ -0.0068998800000000, 0.0067883100000000, -0.0167695000000000 ] - [ -0.0067661200000000, -0.0072070800000000, -0.0165750400000000 ] - [ -0.0066320700000000, -0.0072005100000000, -0.0167120000000000 ] - [ 0.0064365700000000, -0.0072492600000000, 0.0167436900000000 ] - [ 0.0064665300000000, -0.0072638900000000, 0.0169316100000000 ] - [ 0.0059065600000000, 0.0071601200000000, 0.0166442800000000 ] - [ 0.0064583900000000, 0.0073276100000000, 0.0167249600000000 ] - [ -0.0011224900000000, -0.0005949800000000, -0.0054038900000000 ] - [ -0.0011320500000000, 0.0000656700000000, -0.0054294100000000 ] - [ 0.0022004100000000, -0.0002322300000000, 0.0052057100000000 ] - [ 0.0017533300000000, -0.0002982800000000, 0.0052976000000000 ] - [ 0.0016226300000000, 0.0002747600000000, 0.0054231100000000 ] - [ 0.0015817000000000, 0.0002785000000000, 0.0054404000000000 ] - [ -0.0013937700000000, 0.0001843200000000, -0.0050796100000000 ] - [ -0.0014369800000000, 0.0002713300000000, -0.0053153200000000 ] - [ 0.0113657100000000, -0.0068951200000000, 0.0013772000000000 ] - [ 0.0114517000000000, -0.0065226800000000, 0.0014173600000000 ] - [ -0.0173372000000000, -0.0061790500000000, 0.0034601300000000 ] - [ -0.0117540400000000, -0.0066844700000000, -0.0015839900000000 ] - [ -0.0117627900000000, 0.0065039900000000, -0.0015085100000000 ] - [ -0.0115847300000000, 0.0066968100000000, -0.0014113000000000 ] - [ 0.0103767500000000, 0.0072048300000000, -0.0004734500000000 ] - [ 0.0116255900000000, 0.0066597000000000, 0.0016195900000000 ] - [ 0.0004196700000000, -0.0039595800000000, 0.0089952500000000 ] - [ 0.0000006700000000, -0.0040574900000000, 0.0089398000000000 ] - [ 0.0000290000000000, -0.0038035400000000, -0.0087959800000000 ] - [ 0.0001895200000000, -0.0040272700000000, -0.0087686100000000 ] - [ 0.0002533800000000, 0.0040744400000000, -0.0093754700000000 ] - [ 0.0001497500000000, 0.0040508000000000, -0.0088952200000000 ] - [ 0.0001078000000000, 0.0040877200000000, 0.0088805600000000 ] - [ 0.0001721100000000, 0.0040068100000000, 0.0087480000000000 ] - [ -0.0459414500000000, -0.0488734000000000, -0.0291001300000000 ] - [ -0.0161774100000000, -0.0342233100000000, -0.0322064300000000 ] - [ -0.0208624200000000, -0.0489394800000000, -0.0058448600000000 ] - [ -0.0207123600000000, -0.0490830500000000, -0.0058220000000000 ] - [ -0.0356992400000000, 0.0601892500000000, -0.0197038500000000 ] - [ -0.0206941700000000, 0.0494017200000000, -0.0060918300000000 ] - [ 0.0104352500000000, 0.0618217200000000, 0.0142455800000000 ] - [ 0.0204709700000000, 0.0490712000000000, 0.0054168100000000 ] - [ 0.0436466200000000, -0.0188628600000000, -0.0209102400000000 ] - [ 0.0435109300000000, -0.0186378300000000, -0.0209238600000000 ] - [ -0.0433648400000000, -0.0191042500000000, 0.0211086400000000 ] - [ -0.0435156000000000, -0.0189899800000000, 0.0209781900000000 ] - [ -0.0431770000000000, 0.0189559500000000, 0.0212852200000000 ] - [ -0.0434584300000000, 0.0187010500000000, 0.0211421500000000 ] - [ 0.0443429400000000, 0.0180470200000000, -0.0207050700000000 ] - [ 0.0432927800000000, 0.0182283100000000, -0.0211207200000000 ] - [ 0.0436858200000000, -0.0187440200000000, -0.0269719000000000 ] - [ 0.0436400000000000, -0.0187342200000000, -0.0269214000000000 ] - [ -0.0433895400000000, -0.0190474600000000, 0.0268235100000000 ] - [ -0.0434364700000000, -0.0188743300000000, 0.0268180100000000 ] - [ -0.0427255000000000, 0.0192822000000000, 0.0269410900000000 ] - [ -0.0432507300000000, 0.0188077900000000, 0.0265788300000000 ] - [ 0.0437879500000000, 0.0187196200000000, -0.0269444600000000 ] - [ 0.0440572100000000, 0.0190164200000000, -0.0267509100000000 ] - [ 0.0161828500000000, -0.0331692400000000, 0.0313791300000000 ] - [ 0.0154828700000000, -0.0332071800000000, 0.0316230500000000 ] - [ -0.0160857000000000, 0.0336121700000000, -0.0313041400000000 ] - [ -0.0160508700000000, 0.0336237400000000, -0.0313369800000000 ] - [ 0.0158085800000000, 0.0334509300000000, 0.0314904900000000 ] - [ 0.0158401200000000, 0.0333464300000000, 0.0314408900000000 ] - [ 0.0204320900000000, -0.0491922900000000, 0.0057800300000000 ] - [ 0.0206225000000000, -0.0491690200000000, 0.0057983900000000 ] - [ 0.0764779900000000, 0.0155741300000000, -0.0146049600000000 ] - [ 0.0782767000000000, 0.0165291800000000, -0.0139745300000000 ] - [ 0.1308535500000000, 0.0054896200000000, 0.0083272800000000 ] - [ 0.1309470900000000, 0.0057233100000000, 0.0079752600000000 ] - [ 0.1314416300000000, -0.0057886200000000, 0.0082988700000000 ] - [ 0.1314728800000000, -0.0057717600000000, 0.0083301000000000 ] - [ -0.1316924700000000, -0.0057750600000000, -0.0082964100000000 ] - [ -0.1316457800000000, -0.0058549500000000, -0.0083370600000000 ] - [ -0.1321227400000000, 0.0064275100000000, -0.0085075700000000 ] - [ -0.1321976100000000, 0.0059722000000000, -0.0083547900000000 ] - [ -0.0791803400000000, 0.0157034400000000, 0.0140216900000000 ] - [ -0.0791332100000000, 0.0156937800000000, 0.0140841700000000 ] - [ -0.0795089500000000, -0.0158114300000000, 0.0142140200000000 ] - [ -0.0791358800000000, -0.0157219600000000, 0.0143829400000000 ] - [ 0.0788906300000000, -0.0159943000000000, -0.0141011300000000 ] - [ 0.0789864800000000, -0.0156899400000000, -0.0143045900000000 ] - [ -0.0246550800000000, -0.0027609100000000, -0.0643697000000000 ] - [ -0.0238997600000000, -0.0061888800000000, -0.0644627700000000 ] - [ 0.0227929100000000, -0.0056871300000000, 0.0621428100000000 ] - [ 0.0243534400000000, -0.0064171900000000, 0.0642944400000000 ] - [ 0.0245557300000000, 0.0064037800000000, 0.0642887800000000 ] - [ 0.0245344300000000, 0.0059750000000000, 0.0641380700000000 ] - [ -0.0243310200000000, 0.0061298000000000, -0.0639947500000000 ] - [ -0.0244161400000000, 0.0060118500000000, -0.0642050100000000 ] - [ -0.0209932000000000, -0.1935247200000000, 0.0706885500000000 ] - [ -0.0210314300000000, -0.1936065500000000, 0.0708068600000000 ] - [ 0.0210052700000000, -0.1934387300000000, -0.0712898800000000 ] - [ 0.0210578300000000, -0.1935522900000000, -0.0707654000000000 ] - [ 0.0201960100000000, 0.1954461800000000, -0.0711549900000000 ] - [ 0.0208731900000000, 0.1934054900000000, -0.0707379500000000 ] - [ -0.0233342000000000, 0.1943114000000000, 0.0728255000000000 ] - [ -0.0212828000000000, 0.1935092100000000, 0.0710938100000000 ] - [ 0.1294677600000000, -0.0279865800000000, -0.0063172200000000 ] - [ 0.0570950000000000, -0.0154934800000000, -0.0080461900000000 ] - [ -0.0560128900000000, -0.0165908800000000, 0.0072198400000000 ] - [ -0.0560078000000000, -0.0155864600000000, 0.0083724800000000 ] - [ -0.0563152000000000, 0.0152643800000000, 0.0082193300000000 ] - [ -0.0567849800000000, 0.0155765100000000, 0.0081636100000000 ] - [ 0.0571201500000000, 0.0155536100000000, -0.0081951400000000 ] - [ 0.0570669600000000, 0.0155563500000000, -0.0083352300000000 ] - [ -0.0095001700000000, 0.2020464400000000, 0.0796825900000000 ] - [ -0.0095734400000000, 0.2020437000000000, 0.0798225100000000 ] - [ 0.0095298900000000, 0.2020818500000000, -0.0799834100000000 ] - [ 0.0096052200000000, 0.2020633400000000, -0.0798165300000000 ] - [ 0.0091465100000000, -0.2028167800000000, -0.0796854400000000 ] - [ 0.0088344700000000, -0.2023122100000000, -0.0799274200000000 ] - [ -0.0123770800000000, -0.2026625600000000, 0.0813971500000000 ] - [ -0.0096832700000000, -0.2018144400000000, 0.0799989800000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0064932100000000, 0.0080544600000000, -0.0171564600000000 ] - [ -0.0063215100000000, 0.0065478000000000, -0.0168493600000000 ] - [ -0.0065313700000000, -0.0072250600000000, -0.0168236100000000 ] - [ -0.0065681100000000, -0.0072929800000000, -0.0167004900000000 ] - [ 0.0065380300000000, -0.0073679500000000, 0.0163402800000000 ] - [ 0.0065818000000000, -0.0073213600000000, 0.0169291900000000 ] - [ 0.0066090800000000, 0.0075294700000000, 0.0168460800000000 ] - [ 0.0066726600000000, 0.0066971800000000, 0.0167674400000000 ] - [ -0.0013990600000000, -0.0004741800000000, -0.0054108300000000 ] - [ -0.0015778800000000, -0.0004022300000000, -0.0054187500000000 ] - [ 0.0017434300000000, -0.0000662500000000, 0.0052738900000000 ] - [ 0.0015382500000000, -0.0003396300000000, 0.0053628300000000 ] - [ 0.0014667400000000, 0.0003037000000000, 0.0054361000000000 ] - [ 0.0014728900000000, 0.0002633400000000, 0.0053457500000000 ] - [ -0.0015127700000000, 0.0002677400000000, -0.0052548200000000 ] - [ -0.0014980900000000, 0.0002701400000000, -0.0053831100000000 ] - [ 0.0118580300000000, -0.0066715700000000, 0.0013750300000000 ] - [ 0.0114351000000000, -0.0066259600000000, 0.0016766500000000 ] - [ -0.0118907400000000, -0.0064833800000000, -0.0010550900000000 ] - [ -0.0116564200000000, -0.0067340800000000, -0.0015787300000000 ] - [ -0.0115060200000000, 0.0069152200000000, -0.0013938200000000 ] - [ -0.0118683300000000, 0.0065878700000000, -0.0017514900000000 ] - [ 0.0110411800000000, 0.0067334500000000, 0.0010988300000000 ] - [ 0.0117002300000000, 0.0064229700000000, 0.0013877400000000 ] - [ -0.0001352700000000, -0.0040574100000000, 0.0089007600000000 ] - [ -0.0000393800000000, -0.0041010100000000, 0.0089092300000000 ] - [ -0.0001371300000000, -0.0038930500000000, -0.0089708200000000 ] - [ 0.0002709600000000, -0.0041708700000000, -0.0087520800000000 ] - [ 0.0000306300000000, 0.0043707700000000, -0.0089056600000000 ] - [ 0.0000070500000000, 0.0040082500000000, -0.0088719800000000 ] - [ -0.0000498900000000, 0.0040298600000000, 0.0089352700000000 ] - [ 0.0000145300000000, 0.0040152200000000, 0.0087744600000000 ] - [ -0.0012107300000000, -0.0208276500000000, -0.0340264500000000 ] - [ -0.0164099800000000, -0.0341729300000000, -0.0319394000000000 ] - [ -0.0205916100000000, -0.0489460900000000, -0.0059413200000000 ] - [ -0.0206592800000000, -0.0492723900000000, -0.0057082400000000 ] - [ -0.0313606900000000, 0.0639571200000000, -0.0184739400000000 ] - [ -0.0209966300000000, 0.0486324400000000, -0.0051465600000000 ] - [ 0.0078115800000000, 0.0763084400000000, 0.0222905400000000 ] - [ 0.0203990300000000, 0.0482843100000000, 0.0057450900000000 ] - [ 0.0436038300000000, -0.0189026900000000, -0.0209281300000000 ] - [ 0.0435820700000000, -0.0190695900000000, -0.0209749400000000 ] - [ -0.0435308800000000, -0.0186672300000000, 0.0208177100000000 ] - [ -0.0436812300000000, -0.0190629500000000, 0.0209497000000000 ] - [ -0.0439228900000000, 0.0193213300000000, 0.0213332400000000 ] - [ -0.0434636000000000, 0.0189182400000000, 0.0209203500000000 ] - [ 0.0440193500000000, 0.0192804600000000, -0.0209711300000000 ] - [ 0.0420972300000000, 0.0190288200000000, -0.0199037800000000 ] - [ 0.0434773700000000, -0.0188501800000000, -0.0268962300000000 ] - [ 0.0435608600000000, -0.0188102800000000, -0.0269172000000000 ] - [ -0.0436297000000000, -0.0186779100000000, 0.0269561500000000 ] - [ -0.0434836700000000, -0.0188880200000000, 0.0268906900000000 ] - [ -0.0440665100000000, 0.0194438000000000, 0.0260171100000000 ] - [ -0.0435117600000000, 0.0188133900000000, 0.0270100000000000 ] - [ 0.0435833900000000, 0.0192609000000000, -0.0271063600000000 ] - [ 0.0437123300000000, 0.0186602500000000, -0.0266338200000000 ] - [ 0.0151175100000000, -0.0334100700000000, 0.0314891200000000 ] - [ 0.0168333800000000, -0.0336930300000000, 0.0311039100000000 ] - [ -0.0158357200000000, 0.0337035000000000, -0.0314207700000000 ] - [ -0.0159236800000000, 0.0334570300000000, -0.0313769500000000 ] - [ 0.0159935700000000, 0.0335775800000000, 0.0314349200000000 ] - [ 0.0158358500000000, 0.0334351400000000, 0.0314110000000000 ] - [ 0.0205180900000000, -0.0490509600000000, 0.0058135500000000 ] - [ 0.0207033300000000, -0.0491955900000000, 0.0057463800000000 ] - [ 0.0773868400000000, 0.0151373000000000, -0.0142557500000000 ] - [ 0.0795650300000000, 0.0169454100000000, -0.0146154200000000 ] - [ 0.1318648600000000, 0.0049282800000000, 0.0082266800000000 ] - [ 0.1316254500000000, 0.0057920800000000, 0.0083132500000000 ] - [ 0.1316046500000000, -0.0058734300000000, 0.0082815000000000 ] - [ 0.1316038200000000, -0.0057350400000000, 0.0082854700000000 ] - [ -0.1315576900000000, -0.0058337900000000, -0.0082937000000000 ] - [ -0.1315542900000000, -0.0057476800000000, -0.0083006200000000 ] - [ -0.1311693600000000, 0.0054367500000000, -0.0082433400000000 ] - [ -0.1312291000000000, 0.0057547700000000, -0.0080799400000000 ] - [ -0.0791127600000000, 0.0159216700000000, 0.0146927700000000 ] - [ -0.0790897400000000, 0.0157523800000000, 0.0139691300000000 ] - [ -0.0791531600000000, -0.0158381800000000, 0.0144053600000000 ] - [ -0.0790896000000000, -0.0157004800000000, 0.0143830400000000 ] - [ 0.0791203900000000, -0.0157474000000000, -0.0145180600000000 ] - [ 0.0790637500000000, -0.0157103800000000, -0.0143651100000000 ] - [ -0.0262296200000000, -0.0037480100000000, -0.0642318800000000 ] - [ -0.0217081000000000, -0.0035136600000000, -0.0643430700000000 ] - [ 0.0250235500000000, -0.0065519000000000, 0.0649766900000000 ] - [ 0.0239895000000000, -0.0053709300000000, 0.0640146600000000 ] - [ 0.0241760300000000, 0.0062088300000000, 0.0644658600000000 ] - [ 0.0246079500000000, 0.0061545300000000, 0.0640068200000000 ] - [ -0.0244587200000000, 0.0059165300000000, -0.0640802900000000 ] - [ -0.0244363500000000, 0.0061111800000000, -0.0642016600000000 ] - [ -0.0211226100000000, -0.1935451900000000, 0.0707392600000000 ] - [ -0.0211167200000000, -0.1935782200000000, 0.0707879400000000 ] - [ 0.0212082800000000, -0.1937677500000000, -0.0706727700000000 ] - [ 0.0211091600000000, -0.1935358200000000, -0.0707675500000000 ] - [ 0.0192562100000000, 0.1935255200000000, -0.0718523500000000 ] - [ 0.0211178900000000, 0.1935697600000000, -0.0710078300000000 ] - [ -0.0228584700000000, 0.1939179500000000, 0.0719759900000000 ] - [ -0.0209951800000000, 0.1937432500000000, 0.0707543800000000 ] - [ 0.0685887600000000, -0.0790110300000000, -0.0087534400000000 ] - [ 0.0568080600000000, -0.0154529900000000, -0.0081178900000000 ] - [ -0.0568929400000000, -0.0136641000000000, 0.0095447300000000 ] - [ -0.0579138900000000, -0.0136464000000000, 0.0066989300000000 ] - [ -0.0565787600000000, 0.0149270500000000, 0.0082401200000000 ] - [ -0.0568882400000000, 0.0156368300000000, 0.0082041300000000 ] - [ 0.0568661500000000, 0.0154083600000000, -0.0083582300000000 ] - [ 0.0568693100000000, 0.0155059500000000, -0.0079839900000000 ] - [ -0.0095910000000000, 0.2020273400000000, 0.0797725600000000 ] - [ -0.0096273700000000, 0.2020296400000000, 0.0798282300000000 ] - [ 0.0094799600000000, 0.2020802300000000, -0.0798034200000000 ] - [ 0.0096247300000000, 0.2021285000000000, -0.0798169800000000 ] - [ 0.0105784200000000, -0.2020398800000000, -0.0798264000000000 ] - [ 0.0094349800000000, -0.2020818700000000, -0.0798382000000000 ] - [ -0.0070538100000000, -0.2011898900000000, 0.0796607600000000 ] - [ -0.0095118400000000, -0.2020517600000000, 0.0794529100000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0067205500000000, 0.0063338800000000, -0.0163298600000000 ] - [ -0.0068681600000000, 0.0078987200000000, -0.0166556800000000 ] - [ -0.0066575400000000, -0.0072250800000000, -0.0166813600000000 ] - [ -0.0066189900000000, -0.0071585100000000, -0.0168041900000000 ] - [ 0.0066463100000000, -0.0070817000000000, 0.0171631500000000 ] - [ 0.0066035600000000, -0.0071279800000000, 0.0165756200000000 ] - [ 0.0065730700000000, 0.0069226500000000, 0.0166591800000000 ] - [ 0.0065131700000000, 0.0077495700000000, 0.0167384800000000 ] - [ -0.0015897900000000, -0.0000772100000000, -0.0053628700000000 ] - [ -0.0014114500000000, -0.0001467200000000, -0.0053552000000000 ] - [ 0.0012525800000000, -0.0004847900000000, 0.0054977700000000 ] - [ 0.0014543000000000, -0.0002106300000000, 0.0054106500000000 ] - [ 0.0015254800000000, 0.0002468400000000, 0.0053372300000000 ] - [ 0.0015194300000000, 0.0002866600000000, 0.0054276400000000 ] - [ -0.0014782600000000, 0.0002819300000000, -0.0055161800000000 ] - [ -0.0014930300000000, 0.0002808200000000, -0.0053898700000000 ] - [ 0.0114693400000000, -0.0066860500000000, 0.0017251400000000 ] - [ 0.0118900800000000, -0.0067292700000000, 0.0014251500000000 ] - [ -0.0114051300000000, -0.0068763000000000, -0.0020756000000000 ] - [ -0.0116724700000000, -0.0066220700000000, -0.0015231700000000 ] - [ -0.0118215300000000, 0.0064414900000000, -0.0017063600000000 ] - [ -0.0114599800000000, 0.0067691000000000, -0.0013498100000000 ] - [ 0.0122799100000000, 0.0066278900000000, 0.0019952700000000 ] - [ 0.0116279700000000, 0.0069344600000000, 0.0017143400000000 ] - [ 0.0000836000000000, -0.0040432000000000, 0.0088979900000000 ] - [ -0.0000135900000000, -0.0039990900000000, 0.0088893600000000 ] - [ 0.0001907300000000, -0.0042071000000000, -0.0088272500000000 ] - [ -0.0002158100000000, -0.0039315600000000, -0.0090459300000000 ] - [ 0.0000236000000000, 0.0037300100000000, -0.0088945600000000 ] - [ 0.0000463400000000, 0.0040917400000000, -0.0089273200000000 ] - [ -0.0000022800000000, 0.0040730000000000, 0.0088634900000000 ] - [ -0.0000665600000000, 0.0040869300000000, 0.0090245300000000 ] - [ -0.0302040800000000, -0.0463226700000000, -0.0287810400000000 ] - [ -0.0153434600000000, -0.0330351700000000, -0.0308414200000000 ] - [ -0.0207698800000000, -0.0493441500000000, -0.0056105100000000 ] - [ -0.0207013300000000, -0.0490218600000000, -0.0058427200000000 ] - [ -0.0102657400000000, 0.0344166100000000, 0.0066551100000000 ] - [ -0.0203663300000000, 0.0496602200000000, -0.0064027100000000 ] - [ 0.0340713100000000, 0.0211893500000000, -0.0113776500000000 ] - [ 0.0209571000000000, 0.0500063200000000, 0.0057959500000000 ] - [ 0.0435771500000000, -0.0189546500000000, -0.0209761200000000 ] - [ 0.0435979300000000, -0.0187865200000000, -0.0209298900000000 ] - [ -0.0436477700000000, -0.0191900700000000, 0.0210878800000000 ] - [ -0.0434983600000000, -0.0187954400000000, 0.0209555400000000 ] - [ -0.0432543000000000, 0.0185350600000000, 0.0205725300000000 ] - [ -0.0437142200000000, 0.0189401400000000, 0.0209847900000000 ] - [ 0.0431654200000000, 0.0185698200000000, -0.0209369800000000 ] - [ 0.0450837800000000, 0.0188315300000000, -0.0219996200000000 ] - [ 0.0436066900000000, -0.0188049500000000, -0.0268888800000000 ] - [ 0.0435231200000000, -0.0188440900000000, -0.0268680100000000 ] - [ -0.0434525300000000, -0.0189782800000000, 0.0268281300000000 ] - [ -0.0435986300000000, -0.0187677900000000, 0.0268940700000000 ] - [ -0.0430150800000000, 0.0182129500000000, 0.0277621100000000 ] - [ -0.0435714000000000, 0.0188403900000000, 0.0267759500000000 ] - [ 0.0435010000000000, 0.0183945100000000, -0.0266793000000000 ] - [ 0.0433742900000000, 0.0189920400000000, -0.0271522500000000 ] - [ 0.0166292600000000, -0.0337794400000000, 0.0312834100000000 ] - [ 0.0149229600000000, -0.0335035600000000, 0.0316691800000000 ] - [ -0.0159163600000000, 0.0334915700000000, -0.0313533500000000 ] - [ -0.0158277900000000, 0.0337366600000000, -0.0313980200000000 ] - [ 0.0157575500000000, 0.0336154300000000, 0.0313409000000000 ] - [ 0.0159142300000000, 0.0337571300000000, 0.0313646200000000 ] - [ 0.0208420800000000, -0.0492445400000000, 0.0057361200000000 ] - [ 0.0206554800000000, -0.0490986000000000, 0.0058041600000000 ] - [ 0.0807017600000000, 0.0163973000000000, -0.0144743500000000 ] - [ 0.0785510800000000, 0.0145887100000000, -0.0141116000000000 ] - [ 0.1312890000000000, 0.0066695000000000, 0.0084096800000000 ] - [ 0.1315331300000000, 0.0058075800000000, 0.0083197700000000 ] - [ 0.1315540400000000, -0.0057272000000000, 0.0083523400000000 ] - [ 0.1315557100000000, -0.0058644400000000, 0.0083477900000000 ] - [ -0.1316036600000000, -0.0057656400000000, -0.0083398300000000 ] - [ -0.1316065300000000, -0.0058524400000000, -0.0083330600000000 ] - [ -0.1319944500000000, 0.0061689500000000, -0.0083935700000000 ] - [ -0.1319298200000000, 0.0058406900000000, -0.0085494200000000 ] - [ -0.0789924400000000, 0.0156091000000000, 0.0140372400000000 ] - [ -0.0790170000000000, 0.0157807000000000, 0.0147609200000000 ] - [ -0.0789574100000000, -0.0156925800000000, 0.0143231600000000 ] - [ -0.0790180800000000, -0.0158310100000000, 0.0143467300000000 ] - [ 0.0789847800000000, -0.0157835800000000, -0.0142110200000000 ] - [ 0.0790418100000000, -0.0158208200000000, -0.0143654400000000 ] - [ -0.0226971900000000, -0.0083144800000000, -0.0640270900000000 ] - [ -0.0272330800000000, -0.0085186900000000, -0.0639219000000000 ] - [ 0.0239190600000000, -0.0054962200000000, 0.0632875700000000 ] - [ 0.0249606900000000, -0.0066734200000000, 0.0642583800000000 ] - [ 0.0247694700000000, 0.0058403200000000, 0.0638134400000000 ] - [ 0.0243426800000000, 0.0058922800000000, 0.0642686700000000 ] - [ -0.0244904300000000, 0.0061310300000000, -0.0641946500000000 ] - [ -0.0245126600000000, 0.0059368100000000, -0.0640741200000000 ] - [ -0.0211201100000000, -0.1936008600000000, 0.0708448100000000 ] - [ -0.0211255900000000, -0.1935678800000000, 0.0707961500000000 ] - [ 0.0210368500000000, -0.1933791800000000, -0.0709148800000000 ] - [ 0.0211325800000000, -0.1936087100000000, -0.0708169100000000 ] - [ 0.0229703800000000, 0.1936098900000000, -0.0697367600000000 ] - [ 0.0211251400000000, 0.1935730400000000, -0.0705769200000000 ] - [ -0.0193880900000000, 0.1932307800000000, 0.0696174300000000 ] - [ -0.0212465600000000, 0.1934013300000000, 0.0708299300000000 ] - [ 0.0445670600000000, 0.0486380100000000, -0.0066490500000000 ] - [ 0.0569300500000000, -0.0156526900000000, -0.0082705500000000 ] - [ -0.0568393000000000, -0.0174537800000000, 0.0068308900000000 ] - [ -0.0558204000000000, -0.0174361200000000, 0.0096668900000000 ] - [ -0.0571537300000000, 0.0161773200000000, 0.0081416400000000 ] - [ -0.0568432700000000, 0.0154713300000000, 0.0081854000000000 ] - [ 0.0568660500000000, 0.0156978400000000, -0.0080317500000000 ] - [ 0.0568632000000000, 0.0156019300000000, -0.0084046900000000 ] - [ -0.0095836700000000, 0.2020323700000000, 0.0798359000000000 ] - [ -0.0095485300000000, 0.2020308200000000, 0.0797807300000000 ] - [ 0.0096948600000000, 0.2019817500000000, -0.0798057300000000 ] - [ 0.0095519100000000, 0.2019319300000000, -0.0797918100000000 ] - [ 0.0085931900000000, -0.2020165900000000, -0.0797769800000000 ] - [ 0.0097413600000000, -0.2019722200000000, -0.0797660900000000 ] - [ -0.0121255900000000, -0.2028697700000000, 0.0799542400000000 ] - [ -0.0096647000000000, -0.2020093400000000, 0.0801567600000000 ]- atom: 97 displacement: [ -0.0000427683518374, 0.0000000000000000, 0.0099999085429858 ] forces: - [ -0.0063832900000000, 0.0071114300000000, -0.0165617800000000 ] - [ -0.0063805300000000, 0.0063670900000000, -0.0167991700000000 ] - [ -0.0064774300000000, -0.0072385700000000, -0.0171086000000000 ] - [ -0.0065596700000000, -0.0072179200000000, -0.0168555800000000 ] - [ 0.0065172800000000, -0.0075377600000000, 0.0164226300000000 ] - [ 0.0066033300000000, -0.0071801100000000, 0.0166898800000000 ] - [ 0.0067134900000000, 0.0072612000000000, 0.0164023100000000 ] - [ 0.0068062800000000, 0.0071339000000000, 0.0167512600000000 ] - [ -0.0013040100000000, -0.0006075200000000, -0.0054304700000000 ] - [ -0.0013976700000000, -0.0000122300000000, -0.0054017500000000 ] - [ 0.0012079400000000, -0.0002016200000000, 0.0054660300000000 ] - [ 0.0013706600000000, -0.0003335400000000, 0.0053976200000000 ] - [ 0.0015171600000000, 0.0002575000000000, 0.0053479600000000 ] - [ 0.0014923300000000, 0.0002744100000000, 0.0053629400000000 ] - [ -0.0014710200000000, 0.0002960700000000, -0.0055347600000000 ] - [ -0.0015020500000000, 0.0002885700000000, -0.0054714900000000 ] - [ 0.0117474500000000, -0.0067741000000000, 0.0012549900000000 ] - [ 0.0117257300000000, -0.0065817400000000, 0.0013954500000000 ] - [ -0.0164311300000000, -0.0059794100000000, 0.0021328000000000 ] - [ -0.0116608800000000, -0.0066929600000000, -0.0015068500000000 ] - [ -0.0116502300000000, 0.0067785800000000, -0.0017619900000000 ] - [ -0.0117565500000000, 0.0066955700000000, -0.0017822500000000 ] - [ 0.0137392500000000, 0.0063620000000000, 0.0043190000000000 ] - [ 0.0117242700000000, 0.0066837100000000, 0.0014540900000000 ] - [ -0.0003022800000000, -0.0041683300000000, 0.0085947500000000 ] - [ -0.0001165200000000, -0.0040299700000000, 0.0088183600000000 ] - [ -0.0000669500000000, -0.0041426800000000, -0.0090276100000000 ] - [ -0.0001025900000000, -0.0041309700000000, -0.0089901700000000 ] - [ 0.0000688900000000, 0.0040763800000000, -0.0093895200000000 ] - [ 0.0000254000000000, 0.0040528200000000, -0.0088965600000000 ] - [ -0.0000300100000000, 0.0040715600000000, 0.0089699000000000 ] - [ 0.0000136500000000, 0.0040173000000000, 0.0089028200000000 ] - [ -0.0175569800000000, -0.0355618100000000, -0.0273523700000000 ] - [ -0.0155237000000000, -0.0331727200000000, -0.0307473700000000 ] - [ -0.0204301700000000, -0.0496624800000000, -0.0058028200000000 ] - [ -0.0206590500000000, -0.0491318800000000, -0.0058051500000000 ] - [ -0.0085807600000000, 0.0377420500000000, 0.0135633500000000 ] - [ -0.0206856300000000, 0.0487725400000000, -0.0050279000000000 ] - [ 0.0125628100000000, 0.0650790000000000, 0.0197170000000000 ] - [ 0.0212250100000000, 0.0494016000000000, 0.0064193800000000 ] - [ 0.0435862500000000, -0.0189140000000000, -0.0209575700000000 ] - [ 0.0435800100000000, -0.0188216300000000, -0.0209266200000000 ] - [ -0.0435167100000000, -0.0188146000000000, 0.0208484200000000 ] - [ -0.0435778000000000, -0.0189271400000000, 0.0208783300000000 ] - [ -0.0440796500000000, 0.0198164300000000, 0.0221622900000000 ] - [ -0.0439388800000000, 0.0189242800000000, 0.0210049200000000 ] - [ 0.0436436300000000, 0.0190993400000000, -0.0198222700000000 ] - [ 0.0432062500000000, 0.0192666800000000, -0.0204823500000000 ] - [ 0.0435584800000000, -0.0188351300000000, -0.0269066700000000 ] - [ 0.0435274600000000, -0.0188347400000000, -0.0269191300000000 ] - [ -0.0435666200000000, -0.0188758900000000, 0.0268212900000000 ] - [ -0.0435454700000000, -0.0188311500000000, 0.0268309700000000 ] - [ -0.0428834200000000, 0.0185422500000000, 0.0285860900000000 ] - [ -0.0435848500000000, 0.0186598000000000, 0.0271940400000000 ] - [ 0.0433221900000000, 0.0188397400000000, -0.0269099600000000 ] - [ 0.0435990000000000, 0.0188496300000000, -0.0266565900000000 ] - [ 0.0152583100000000, -0.0339003200000000, 0.0315287700000000 ] - [ 0.0151549900000000, -0.0340388800000000, 0.0320583600000000 ] - [ -0.0159337200000000, 0.0335581000000000, -0.0314523600000000 ] - [ -0.0159802400000000, 0.0335940900000000, -0.0313721100000000 ] - [ 0.0161364700000000, 0.0337633200000000, 0.0314225700000000 ] - [ 0.0158641000000000, 0.0334747300000000, 0.0313350200000000 ] - [ 0.0201633900000000, -0.0488587300000000, 0.0057891200000000 ] - [ 0.0206412500000000, -0.0491383000000000, 0.0058130000000000 ] - [ 0.0808963100000000, 0.0160802300000000, -0.0154399100000000 ] - [ 0.0799712500000000, 0.0153914800000000, -0.0146880300000000 ] - [ 0.1313639000000000, 0.0053554000000000, 0.0081415100000000 ] - [ 0.1315268000000000, 0.0059300100000000, 0.0080579500000000 ] - [ 0.1315669500000000, -0.0058246900000000, 0.0083884200000000 ] - [ 0.1316007700000000, -0.0058015200000000, 0.0083726400000000 ] - [ -0.1316139700000000, -0.0058101400000000, -0.0082545400000000 ] - [ -0.1315640100000000, -0.0058319000000000, -0.0082891000000000 ] - [ -0.1314825400000000, 0.0061736200000000, -0.0087310800000000 ] - [ -0.1318626400000000, 0.0055958100000000, -0.0086720900000000 ] - [ -0.0790204500000000, 0.0156017700000000, 0.0142295300000000 ] - [ -0.0789096400000000, 0.0158680700000000, 0.0141277700000000 ] - [ -0.0789491000000000, -0.0156625600000000, 0.0146055500000000 ] - [ -0.0790247900000000, -0.0157296900000000, 0.0143889000000000 ] - [ 0.0790716200000000, -0.0158531900000000, -0.0141925100000000 ] - [ 0.0790706800000000, -0.0156945900000000, -0.0142249200000000 ] - [ -0.0233196300000000, -0.0085072400000000, -0.0645460800000000 ] - [ -0.0232729400000000, -0.0052739500000000, -0.0650420500000000 ] - [ 0.0265598200000000, -0.0066607300000000, 0.0653525900000000 ] - [ 0.0250617900000000, -0.0056883500000000, 0.0638091000000000 ] - [ 0.0243221100000000, 0.0060624500000000, 0.0642492800000000 ] - [ 0.0244387900000000, 0.0059784300000000, 0.0641510300000000 ] - [ -0.0244232500000000, 0.0060445100000000, -0.0639550800000000 ] - [ -0.0244724700000000, 0.0060026400000000, -0.0641206600000000 ] - [ -0.0211136300000000, -0.1936462900000000, 0.0708022700000000 ] - [ -0.0211400200000000, -0.1936262800000000, 0.0708824000000000 ] - [ 0.0207525300000000, -0.1936876000000000, -0.0703996900000000 ] - [ 0.0211037300000000, -0.1936266100000000, -0.0707370600000000 ] - [ 0.0201347300000000, 0.1938486800000000, -0.0722989300000000 ] - [ 0.0212357600000000, 0.1937070700000000, -0.0708547800000000 ] - [ -0.0235637100000000, 0.1942998200000000, 0.0720531500000000 ] - [ -0.0211151600000000, 0.1934989700000000, 0.0706973200000000 ] - [ 0.0556806500000000, -0.0166084300000000, -0.0567478300000000 ] - [ 0.0567176600000000, -0.0154770800000000, -0.0086891000000000 ] - [ -0.0570384100000000, -0.0140745400000000, 0.0085234100000000 ] - [ -0.0558843500000000, -0.0169103200000000, 0.0085291400000000 ] - [ -0.0568907800000000, 0.0156018900000000, 0.0096199200000000 ] - [ -0.0568342700000000, 0.0155632900000000, 0.0082443000000000 ] - [ 0.0568679200000000, 0.0157169700000000, -0.0081051800000000 ] - [ 0.0570085000000000, 0.0153434100000000, -0.0080452500000000 ] - [ -0.0095312000000000, 0.2020475900000000, 0.0799068400000000 ] - [ -0.0095579300000000, 0.2020783600000000, 0.0798897800000000 ] - [ 0.0094299500000000, 0.2021111100000000, -0.0797293800000000 ] - [ 0.0095976400000000, 0.2021012300000000, -0.0797715500000000 ] - [ 0.0100400500000000, -0.2017261100000000, -0.0799284100000000 ] - [ 0.0094023900000000, -0.2019705400000000, -0.0799550300000000 ] - [ -0.0119553600000000, -0.2024313000000000, 0.0807997800000000 ] - [ -0.0095483300000000, -0.2018419900000000, 0.0795997300000000 ]- atom: 97 displacement: [ 0.0000427683518374, 0.0000000000000000, -0.0099999085429858 ] forces: - [ -0.0068041200000000, 0.0073407900000000, -0.0169509100000000 ] - [ -0.0068049400000000, 0.0080699800000000, -0.0167036800000000 ] - [ -0.0067089800000000, -0.0072134700000000, -0.0163953900000000 ] - [ -0.0066273700000000, -0.0072331400000000, -0.0166491200000000 ] - [ 0.0066692000000000, -0.0069129400000000, 0.0170784000000000 ] - [ 0.0065830500000000, -0.0072686100000000, 0.0168160000000000 ] - [ 0.0064781600000000, 0.0071925200000000, 0.0170657800000000 ] - [ 0.0063813800000000, 0.0073161200000000, 0.0167547000000000 ] - [ -0.0016865200000000, 0.0000572500000000, -0.0053423700000000 ] - [ -0.0015923200000000, -0.0005374700000000, -0.0053715800000000 ] - [ 0.0017839500000000, -0.0003495400000000, 0.0053052500000000 ] - [ 0.0016214400000000, -0.0002162000000000, 0.0053750800000000 ] - [ 0.0014745200000000, 0.0002930900000000, 0.0054257000000000 ] - [ 0.0014994100000000, 0.0002759000000000, 0.0054106000000000 ] - [ -0.0015209300000000, 0.0002540100000000, -0.0052378900000000 ] - [ -0.0014893700000000, 0.0002626000000000, -0.0053016900000000 ] - [ 0.0115812100000000, -0.0065837900000000, 0.0018453800000000 ] - [ 0.0116036100000000, -0.0067750700000000, 0.0017050800000000 ] - [ -0.0070155200000000, -0.0073589500000000, -0.0051964600000000 ] - [ -0.0116677400000000, -0.0066637100000000, -0.0015953900000000 ] - [ -0.0116789400000000, 0.0065793000000000, -0.0013392000000000 ] - [ -0.0115727500000000, 0.0066616400000000, -0.0013193700000000 ] - [ 0.0096764400000000, 0.0069683800000000, -0.0011292700000000 ] - [ 0.0116044400000000, 0.0066738600000000, 0.0016470900000000 ] - [ 0.0002474700000000, -0.0039320200000000, 0.0092055500000000 ] - [ 0.0000631700000000, -0.0040703700000000, 0.0089807500000000 ] - [ 0.0001201300000000, -0.0039590300000000, -0.0087720600000000 ] - [ 0.0001575000000000, -0.0039711400000000, -0.0088092800000000 ] - [ -0.0000127900000000, 0.0040235700000000, -0.0084098100000000 ] - [ 0.0000279900000000, 0.0040474100000000, -0.0089019000000000 ] - [ -0.0000232100000000, 0.0040302500000000, 0.0088278700000000 ] - [ -0.0000671600000000, 0.0040849100000000, 0.0088954600000000 ] - [ -0.0143357100000000, -0.0316995600000000, -0.0353783200000000 ] - [ -0.0162224200000000, -0.0340239800000000, -0.0320279000000000 ] - [ -0.0209302900000000, -0.0486296000000000, -0.0057484800000000 ] - [ -0.0207007700000000, -0.0491623500000000, -0.0057458800000000 ] - [ -0.0331474900000000, 0.0608557800000000, -0.0252917600000000 ] - [ -0.0206758200000000, 0.0495205700000000, -0.0065216300000000 ] - [ 0.0289153600000000, 0.0329203900000000, -0.0081845000000000 ] - [ 0.0201387400000000, 0.0488967200000000, 0.0051331300000000 ] - [ 0.0435947900000000, -0.0189439600000000, -0.0209476100000000 ] - [ 0.0436002400000000, -0.0190355400000000, -0.0209779700000000 ] - [ -0.0436642200000000, -0.0190410500000000, 0.0210547400000000 ] - [ -0.0436027400000000, -0.0189311700000000, 0.0210264900000000 ] - [ -0.0431082700000000, 0.0180359200000000, 0.0197423500000000 ] - [ -0.0432423300000000, 0.0189334300000000, 0.0209027600000000 ] - [ 0.0435461500000000, 0.0187551700000000, -0.0220825700000000 ] - [ 0.0439714600000000, 0.0185916700000000, -0.0214240200000000 ] - [ 0.0435241900000000, -0.0188202000000000, -0.0268785000000000 ] - [ 0.0435557100000000, -0.0188197400000000, -0.0268663200000000 ] - [ -0.0435163400000000, -0.0187803500000000, 0.0269631500000000 ] - [ -0.0435374300000000, -0.0188238000000000, 0.0269538700000000 ] - [ -0.0441940200000000, 0.0191098100000000, 0.0251985300000000 ] - [ -0.0435000200000000, 0.0189976000000000, 0.0265914800000000 ] - [ 0.0437623900000000, 0.0188173800000000, -0.0268722000000000 ] - [ 0.0434857000000000, 0.0188043900000000, -0.0271277400000000 ] - [ 0.0164859700000000, -0.0332979000000000, 0.0312481000000000 ] - [ 0.0165926000000000, -0.0331527800000000, 0.0307177700000000 ] - [ -0.0158166600000000, 0.0336362700000000, -0.0313223500000000 ] - [ -0.0157705100000000, 0.0336006700000000, -0.0314025400000000 ] - [ 0.0156119100000000, 0.0334292000000000, 0.0313523900000000 ] - [ 0.0158863500000000, 0.0337203000000000, 0.0314394300000000 ] - [ 0.0211978000000000, -0.0494374300000000, 0.0057627700000000 ] - [ 0.0207182100000000, -0.0491548500000000, 0.0057376900000000 ] - [ 0.0772131800000000, 0.0154539800000000, -0.0132949600000000 ] - [ 0.0781327100000000, 0.0161393200000000, -0.0140437200000000 ] - [ 0.1317940000000000, 0.0062422400000000, 0.0084801200000000 ] - [ 0.1316310600000000, 0.0056692700000000, 0.0085734900000000 ] - [ 0.1315932800000000, -0.0057755400000000, 0.0082454600000000 ] - [ 0.1315597100000000, -0.0057981900000000, 0.0082607800000000 ] - [ -0.1315469800000000, -0.0057895700000000, -0.0083797400000000 ] - [ -0.1315964600000000, -0.0057682800000000, -0.0083444800000000 ] - [ -0.1316822900000000, 0.0054240500000000, -0.0079010100000000 ] - [ -0.1312922400000000, 0.0060057100000000, -0.0079572900000000 ] - [ -0.0790821400000000, 0.0159291300000000, 0.0144975100000000 ] - [ -0.0791941900000000, 0.0156661600000000, 0.0145997100000000 ] - [ -0.0791563200000000, -0.0158684200000000, 0.0141267400000000 ] - [ -0.0790827700000000, -0.0158025200000000, 0.0143409000000000 ] - [ 0.0790336700000000, -0.0156785900000000, -0.0145361400000000 ] - [ 0.0790359100000000, -0.0158372500000000, -0.0145052900000000 ] - [ -0.0256341700000000, -0.0035362200000000, -0.0637441100000000 ] - [ -0.0256727300000000, -0.0067808900000000, -0.0632418600000000 ] - [ 0.0223826000000000, -0.0053845800000000, 0.0629223200000000 ] - [ 0.0238910000000000, -0.0063620900000000, 0.0644630300000000 ] - [ 0.0246261700000000, 0.0059816800000000, 0.0640267100000000 ] - [ 0.0245124700000000, 0.0060699000000000, 0.0641236200000000 ] - [ -0.0245278700000000, 0.0060029500000000, -0.0643205100000000 ] - [ -0.0244777200000000, 0.0060444400000000, -0.0641540000000000 ] - [ -0.0211283500000000, -0.1934987400000000, 0.0707813900000000 ] - [ -0.0211029900000000, -0.1935194600000000, 0.0707026400000000 ] - [ 0.0214914500000000, -0.1934599000000000, -0.0711820300000000 ] - [ 0.0211381900000000, -0.1935190800000000, -0.0708478800000000 ] - [ 0.0221051900000000, 0.1933031000000000, -0.0692869000000000 ] - [ 0.0210042700000000, 0.1934374300000000, -0.0707321600000000 ] - [ -0.0186568100000000, 0.1928414800000000, 0.0695391400000000 ] - [ -0.0211268300000000, 0.1936449000000000, 0.0708860900000000 ] - [ 0.0584453800000000, -0.0144074000000000, 0.0404451800000000 ] - [ 0.0570121300000000, -0.0156302700000000, -0.0077009200000000 ] - [ -0.0566935500000000, -0.0170336900000000, 0.0078680900000000 ] - [ -0.0578474200000000, -0.0141966900000000, 0.0078639000000000 ] - [ -0.0568441900000000, 0.0155060400000000, 0.0067711200000000 ] - [ -0.0568975900000000, 0.0155444200000000, 0.0081452200000000 ] - [ 0.0568638900000000, 0.0153904300000000, -0.0082828300000000 ] - [ 0.0567241500000000, 0.0157642400000000, -0.0083438700000000 ] - [ -0.0096449800000000, 0.2020119400000000, 0.0797015100000000 ] - [ -0.0096186600000000, 0.2019807200000000, 0.0797191400000000 ] - [ 0.0097456900000000, 0.2019493800000000, -0.0798799000000000 ] - [ 0.0095792200000000, 0.2019585600000000, -0.0798365600000000 ] - [ 0.0091345500000000, -0.2023355000000000, -0.0796760300000000 ] - [ 0.0097719700000000, -0.2020881300000000, -0.0796516800000000 ] - [ -0.0072117800000000, -0.2016308800000000, 0.0788140000000000 ] - [ -0.0096256900000000, -0.2022167100000000, 0.0800083900000000 ]- atom: 105 displacement: [ 0.0099999992956673, 0.0000000000000000, 0.0000037532191477 ] forces: - [ -0.0065961600000000, 0.0072330600000000, -0.0167872800000000 ] - [ -0.0066148500000000, 0.0071867200000000, -0.0166602700000000 ] - [ -0.0065064300000000, -0.0073039700000000, -0.0166054500000000 ] - [ -0.0068133900000000, -0.0068030300000000, -0.0167604500000000 ] - [ 0.0132594700000000, -0.0106389200000000, 0.0201052100000000 ] - [ 0.0066020700000000, -0.0071986600000000, 0.0167386300000000 ] - [ 0.0066554100000000, 0.0071365600000000, 0.0166530200000000 ] - [ 0.0065339800000000, 0.0072978700000000, 0.0169312200000000 ] - [ -0.0014964600000000, -0.0002543600000000, -0.0053617700000000 ] - [ -0.0016352000000000, -0.0002529600000000, -0.0057267200000000 ] - [ 0.0014554500000000, -0.0002610100000000, 0.0053881700000000 ] - [ 0.0015129700000000, -0.0002732600000000, 0.0053846000000000 ] - [ 0.0012115300000000, 0.0002471000000000, 0.0050738100000000 ] - [ 0.0014478100000000, 0.0002017300000000, 0.0053961300000000 ] - [ 0.0009251900000000, -0.0013736300000000, -0.0064516100000000 ] - [ -0.0015992000000000, 0.0000683800000000, -0.0052667600000000 ] - [ 0.0116265300000000, -0.0065341400000000, 0.0015698100000000 ] - [ 0.0120468700000000, -0.0067460900000000, 0.0017640600000000 ] - [ -0.0116971400000000, -0.0065976100000000, -0.0015844300000000 ] - [ -0.0117612700000000, -0.0066808900000000, -0.0016273400000000 ] - [ -0.0119817700000000, 0.0064611000000000, -0.0012981600000000 ] - [ -0.0116547400000000, 0.0066621200000000, -0.0015552800000000 ] - [ 0.0121874000000000, 0.0069035000000000, 0.0021987300000000 ] - [ 0.0117095400000000, 0.0067504600000000, 0.0012540400000000 ] - [ -0.0000598000000000, -0.0040604400000000, 0.0089588700000000 ] - [ -0.0001003300000000, -0.0040499900000000, 0.0088429000000000 ] - [ 0.0012679600000000, -0.0030049900000000, -0.0111344000000000 ] - [ 0.0000753100000000, -0.0040058900000000, -0.0089773000000000 ] - [ -0.0000103700000000, 0.0041436700000000, -0.0088894500000000 ] - [ 0.0002003400000000, 0.0038987300000000, -0.0089146200000000 ] - [ -0.0000486000000000, 0.0040385600000000, 0.0088778200000000 ] - [ -0.0001020700000000, 0.0040122900000000, 0.0091684300000000 ] - [ -0.0158300700000000, -0.0337634100000000, -0.0315757100000000 ] - [ -0.0158324100000000, -0.0335717300000000, -0.0314098600000000 ] - [ -0.0214040700000000, -0.0492681000000000, -0.0063618900000000 ] - [ -0.0208418200000000, -0.0488653200000000, -0.0053358900000000 ] - [ -0.0207430700000000, 0.0490806200000000, -0.0057822700000000 ] - [ -0.0206763100000000, 0.0492059800000000, -0.0057783400000000 ] - [ 0.0207242300000000, 0.0491451400000000, 0.0057068700000000 ] - [ 0.0205343700000000, 0.0492329200000000, 0.0057163700000000 ] - [ 0.0436367200000000, -0.0189696800000000, -0.0211001800000000 ] - [ 0.0445991200000000, -0.0190944100000000, -0.0207060800000000 ] - [ -0.0441679400000000, -0.0176352900000000, 0.0208357800000000 ] - [ -0.0436475800000000, -0.0191227700000000, 0.0208847100000000 ] - [ -0.0436463900000000, 0.0189317400000000, 0.0209215800000000 ] - [ -0.0436540800000000, 0.0189673600000000, 0.0209747100000000 ] - [ 0.0436813300000000, 0.0191811800000000, -0.0210928600000000 ] - [ 0.0438167900000000, 0.0189323700000000, -0.0207982500000000 ] - [ 0.0432733900000000, -0.0186945600000000, -0.0269109400000000 ] - [ 0.0438453700000000, -0.0200265500000000, -0.0276286200000000 ] - [ -0.0134944400000000, -0.0139287300000000, 0.0460221000000000 ] - [ -0.0432692300000000, -0.0189881600000000, 0.0270814800000000 ] - [ -0.0435556400000000, 0.0186739000000000, 0.0268932300000000 ] - [ -0.0434821200000000, 0.0188679900000000, 0.0269070200000000 ] - [ 0.0434797600000000, 0.0188772200000000, -0.0268938200000000 ] - [ 0.0435012200000000, 0.0188174900000000, -0.0269210400000000 ] - [ 0.0158674700000000, -0.0336256900000000, 0.0314040000000000 ] - [ 0.0157749700000000, -0.0336542500000000, 0.0313769300000000 ] - [ -0.0108509900000000, 0.0309807700000000, -0.0435659400000000 ] - [ -0.0159713200000000, 0.0340831500000000, -0.0314426500000000 ] - [ 0.0156261800000000, 0.0337092900000000, 0.0311234600000000 ] - [ 0.0153799500000000, 0.0332102500000000, 0.0313571000000000 ] - [ 0.0208417600000000, -0.0489378000000000, 0.0061361300000000 ] - [ 0.0198475600000000, -0.0499700500000000, 0.0063427000000000 ] - [ 0.0795596400000000, 0.0153270300000000, -0.0150634100000000 ] - [ 0.0789776100000000, 0.0158063800000000, -0.0144613400000000 ] - [ 0.1317414900000000, 0.0057847600000000, 0.0082611000000000 ] - [ 0.1316083500000000, 0.0058316200000000, 0.0083390500000000 ] - [ 0.1358396800000000, -0.0046457900000000, 0.0093621500000000 ] - [ 0.1314837300000000, -0.0057078900000000, 0.0082675200000000 ] - [ -0.1312260500000000, -0.0070376500000000, -0.0082036600000000 ] - [ -0.1314793300000000, -0.0054332000000000, -0.0079417800000000 ] - [ -0.1315722400000000, 0.0057482100000000, -0.0082954600000000 ] - [ -0.1315791800000000, 0.0057852900000000, -0.0083842000000000 ] - [ -0.0790095700000000, 0.0157306900000000, 0.0143465800000000 ] - [ -0.0788720500000000, 0.0157645900000000, 0.0143941000000000 ] - [ -0.0785875900000000, -0.0159984100000000, 0.0143818700000000 ] - [ -0.0786929300000000, -0.0153077500000000, 0.0145886000000000 ] - [ 0.0795452300000000, -0.0139694200000000, -0.0120038500000000 ] - [ 0.0788768600000000, -0.0158399800000000, -0.0144515700000000 ] - [ -0.0244577100000000, -0.0060331000000000, -0.0640750600000000 ] - [ -0.0247511800000000, -0.0061025900000000, -0.0637383200000000 ] - [ 0.0245022300000000, -0.0059383100000000, 0.0641784300000000 ] - [ 0.0245669700000000, -0.0060871100000000, 0.0640601900000000 ] - [ 0.0257581100000000, 0.0060140700000000, 0.0638234900000000 ] - [ 0.0246019300000000, 0.0060573800000000, 0.0640317100000000 ] - [ -0.0255360900000000, 0.0059903300000000, -0.0640354100000000 ] - [ -0.0244270300000000, 0.0058176200000000, -0.0648057400000000 ] - [ -0.0209577300000000, -0.1938075100000000, 0.0709719800000000 ] - [ -0.0172744300000000, -0.1916046100000000, 0.0701468300000000 ] - [ 0.0208074900000000, -0.1936325500000000, -0.0706935400000000 ] - [ 0.0213990300000000, -0.1933714000000000, -0.0708267900000000 ] - [ 0.0211778000000000, 0.1936167700000000, -0.0708031600000000 ] - [ 0.0210975500000000, 0.1935677900000000, -0.0708005600000000 ] - [ -0.0212249100000000, 0.1935774900000000, 0.0707969600000000 ] - [ -0.0213230100000000, 0.1935833800000000, 0.0708093800000000 ] - [ 0.0567780600000000, -0.0155570500000000, -0.0081378700000000 ] - [ 0.0568507000000000, -0.0155932400000000, -0.0081646900000000 ] - [ -0.0568843500000000, -0.0155900700000000, 0.0082037300000000 ] - [ -0.0568085600000000, -0.0154469100000000, 0.0080371100000000 ] - [ -0.0564157300000000, 0.0165435100000000, 0.0086527600000000 ] - [ -0.0561154700000000, 0.0153995300000000, 0.0080112700000000 ] - [ 0.0596573500000000, 0.0130248100000000, -0.0105436100000000 ] - [ 0.0569580200000000, 0.0154766300000000, -0.0081552600000000 ] - [ -0.0670647600000000, 0.2018519700000000, 0.0725340900000000 ] - [ -0.0101433900000000, 0.2022006900000000, 0.0798425200000000 ] - [ 0.0097897100000000, 0.2022627700000000, -0.0798600200000000 ] - [ 0.0097910500000000, 0.2023638800000000, -0.0797567200000000 ] - [ 0.0097117900000000, -0.2020411900000000, -0.0798119600000000 ] - [ 0.0095705700000000, -0.2020611300000000, -0.0797939400000000 ] - [ -0.0099514000000000, -0.2022602200000000, 0.0798463400000000 ] - [ -0.0096990200000000, -0.2020429800000000, 0.0798361500000000 ]- atom: 105 displacement: [ -0.0099999992956673, 0.0000000000000000, -0.0000037532191477 ] forces: - [ -0.0065909200000000, 0.0072151400000000, -0.0167193300000000 ] - [ -0.0065722500000000, 0.0072626600000000, -0.0168437300000000 ] - [ -0.0066789800000000, -0.0071463000000000, -0.0168977900000000 ] - [ -0.0063731200000000, -0.0076495700000000, -0.0167422800000000 ] - [ -0.0002676900000000, -0.0036780400000000, 0.0132861800000000 ] - [ 0.0065881300000000, -0.0072510000000000, 0.0167671000000000 ] - [ 0.0065328100000000, 0.0073143400000000, 0.0168511500000000 ] - [ 0.0066541100000000, 0.0071523900000000, 0.0165725000000000 ] - [ -0.0014959800000000, -0.0002964100000000, -0.0054107000000000 ] - [ -0.0013569600000000, -0.0002971400000000, -0.0050420100000000 ] - [ 0.0015348600000000, -0.0002892200000000, 0.0053847500000000 ] - [ 0.0014785000000000, -0.0002766200000000, 0.0053880000000000 ] - [ 0.0017823500000000, 0.0003043500000000, 0.0056977400000000 ] - [ 0.0015438900000000, 0.0003440100000000, 0.0053775200000000 ] - [ -0.0038893200000000, 0.0018751900000000, -0.0043520000000000 ] - [ -0.0013963600000000, 0.0004841600000000, -0.0055044400000000 ] - [ 0.0117019500000000, -0.0068231100000000, 0.0015329200000000 ] - [ 0.0112797800000000, -0.0066089000000000, 0.0013392800000000 ] - [ -0.0116323800000000, -0.0067582300000000, -0.0015197800000000 ] - [ -0.0115670800000000, -0.0066762800000000, -0.0014750400000000 ] - [ -0.0113469400000000, 0.0068977000000000, -0.0018017500000000 ] - [ -0.0116729900000000, 0.0066949000000000, -0.0015453100000000 ] - [ 0.0111528300000000, 0.0064425100000000, 0.0008952400000000 ] - [ 0.0116215500000000, 0.0066075300000000, 0.0018496200000000 ] - [ 0.0000128200000000, -0.0040389200000000, 0.0088458200000000 ] - [ 0.0000462900000000, -0.0040502200000000, 0.0089552800000000 ] - [ -0.0012158100000000, -0.0050838900000000, -0.0066951700000000 ] - [ -0.0000246900000000, -0.0040947500000000, -0.0088194400000000 ] - [ 0.0000598400000000, 0.0039553200000000, -0.0089049000000000 ] - [ -0.0001476300000000, 0.0042023200000000, -0.0088841300000000 ] - [ -0.0000051100000000, 0.0040630700000000, 0.0089199000000000 ] - [ 0.0000494200000000, 0.0040898500000000, 0.0086298000000000 ] - [ -0.0159183300000000, -0.0334313200000000, -0.0311999600000000 ] - [ -0.0159186700000000, -0.0336227800000000, -0.0313642700000000 ] - [ -0.0199588800000000, -0.0490214500000000, -0.0051876700000000 ] - [ -0.0205164600000000, -0.0494268800000000, -0.0062125400000000 ] - [ -0.0206163200000000, 0.0492134300000000, -0.0057677500000000 ] - [ -0.0206831400000000, 0.0490884900000000, -0.0057719200000000 ] - [ 0.0206368800000000, 0.0491484400000000, 0.0058429800000000 ] - [ 0.0208239000000000, 0.0490616200000000, 0.0058339300000000 ] - [ 0.0435278000000000, -0.0188907600000000, -0.0208061500000000 ] - [ 0.0425711100000000, -0.0187514600000000, -0.0212186000000000 ] - [ -0.0430071900000000, -0.0202174400000000, 0.0210669200000000 ] - [ -0.0435336800000000, -0.0187346300000000, 0.0210215000000000 ] - [ -0.0435340500000000, 0.0189253100000000, 0.0209829500000000 ] - [ -0.0435262700000000, 0.0188882800000000, 0.0209304800000000 ] - [ 0.0435011700000000, 0.0186843900000000, -0.0208123500000000 ] - [ 0.0433634700000000, 0.0189251500000000, -0.0211054100000000 ] - [ 0.0438154300000000, -0.0189685800000000, -0.0268886400000000 ] - [ 0.0432394700000000, -0.0176194300000000, -0.0261550900000000 ] - [ -0.0726382400000000, -0.0235841800000000, 0.0085870400000000 ] - [ -0.0438170600000000, -0.0186697200000000, 0.0267004300000000 ] - [ -0.0435310100000000, 0.0189748700000000, 0.0268945000000000 ] - [ -0.0436005200000000, 0.0187867000000000, 0.0268785400000000 ] - [ 0.0436025800000000, 0.0187759200000000, -0.0268918100000000 ] - [ 0.0435805900000000, 0.0188383200000000, -0.0268629300000000 ] - [ 0.0158847500000000, -0.0335687400000000, 0.0313704000000000 ] - [ 0.0159766400000000, -0.0335384900000000, 0.0313982800000000 ] - [ -0.0208065400000000, 0.0361905300000000, -0.0191492800000000 ] - [ -0.0157768700000000, 0.0331006600000000, -0.0313377900000000 ] - [ 0.0161123100000000, 0.0334731400000000, 0.0316490300000000 ] - [ 0.0163710600000000, 0.0339840700000000, 0.0314173900000000 ] - [ 0.0205250200000000, -0.0493573300000000, 0.0054168500000000 ] - [ 0.0215237800000000, -0.0483198700000000, 0.0052118900000000 ] - [ 0.0785517600000000, 0.0161942300000000, -0.0136774900000000 ] - [ 0.0791295300000000, 0.0157251700000000, -0.0142687400000000 ] - [ 0.1314190400000000, 0.0058178900000000, 0.0083682300000000 ] - [ 0.1315523000000000, 0.0057686700000000, 0.0082950500000000 ] - [ 0.1273623600000000, -0.0069452700000000, 0.0072793600000000 ] - [ 0.1316818900000000, -0.0058897700000000, 0.0083694400000000 ] - [ -0.1319408600000000, -0.0045445700000000, -0.0084473400000000 ] - [ -0.1316719400000000, -0.0061647900000000, -0.0086893700000000 ] - [ -0.1315868800000000, 0.0058492500000000, -0.0083372500000000 ] - [ -0.1315804600000000, 0.0058151800000000, -0.0082501600000000 ] - [ -0.0790978600000000, 0.0158028000000000, 0.0143842900000000 ] - [ -0.0792362800000000, 0.0157660000000000, 0.0143351800000000 ] - [ -0.0795188900000000, -0.0155341000000000, 0.0143490900000000 ] - [ -0.0794150000000000, -0.0162235200000000, 0.0141411400000000 ] - [ 0.0785592400000000, -0.0175681200000000, -0.0167348200000000 ] - [ 0.0792318600000000, -0.0156867400000000, -0.0142777500000000 ] - [ -0.0244929100000000, -0.0060147600000000, -0.0642013000000000 ] - [ -0.0241956300000000, -0.0059454800000000, -0.0645360400000000 ] - [ 0.0244480200000000, -0.0061096400000000, 0.0640962300000000 ] - [ 0.0243817500000000, -0.0059602500000000, 0.0642160000000000 ] - [ 0.0231948600000000, 0.0060323000000000, 0.0644542000000000 ] - [ 0.0243505600000000, 0.0059889900000000, 0.0642431900000000 ] - [ -0.0234187600000000, 0.0060625800000000, -0.0642393600000000 ] - [ -0.0245294300000000, 0.0062279600000000, -0.0634591700000000 ] - [ -0.0212802900000000, -0.1933305900000000, 0.0705998800000000 ] - [ -0.0249671100000000, -0.1956141700000000, 0.0714451600000000 ] - [ 0.0214350700000000, -0.1935086300000000, -0.0708938100000000 ] - [ 0.0208450700000000, -0.1937756400000000, -0.0707587200000000 ] - [ 0.0210636200000000, 0.1935283400000000, -0.0707809200000000 ] - [ 0.0211445600000000, 0.1935783700000000, -0.0707845800000000 ] - [ -0.0210217900000000, 0.1935697000000000, 0.0707832700000000 ] - [ -0.0209183800000000, 0.1935611300000000, 0.0707743000000000 ] - [ 0.0569540700000000, -0.0155496500000000, -0.0082510200000000 ] - [ 0.0568806000000000, -0.0155144000000000, -0.0082252900000000 ] - [ -0.0568496800000000, -0.0155175200000000, 0.0081854600000000 ] - [ -0.0569236000000000, -0.0156619500000000, 0.0083524600000000 ] - [ -0.0573037200000000, 0.0145585600000000, 0.0077437300000000 ] - [ -0.0576150000000000, 0.0157059800000000, 0.0083744700000000 ] - [ 0.0540544000000000, 0.0180968700000000, -0.0058246400000000 ] - [ 0.0567683600000000, 0.0156290800000000, -0.0082329300000000 ] - [ 0.0469814300000000, 0.2020600500000000, 0.0863817500000000 ] - [ -0.0090322500000000, 0.2018385600000000, 0.0797689500000000 ] - [ 0.0093822700000000, 0.2017977200000000, -0.0797454500000000 ] - [ 0.0093838000000000, 0.2016968400000000, -0.0798514500000000 ] - [ 0.0094637100000000, -0.2020176900000000, -0.0797955300000000 ] - [ 0.0096054400000000, -0.2019984100000000, -0.0798150800000000 ] - [ -0.0092295600000000, -0.2018025600000000, 0.0797605400000000 ] - [ -0.0094769300000000, -0.2020171200000000, 0.0797708500000000 ]- atom: 105 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0065875200000000, 0.0072150500000000, -0.0167498000000000 ] - [ -0.0065768100000000, 0.0072280500000000, -0.0167356500000000 ] - [ -0.0066052700000000, -0.0071195600000000, -0.0167793200000000 ] - [ -0.0064607600000000, -0.0073479800000000, -0.0167751700000000 ] - [ 0.0024964800000000, -0.0065421100000000, 0.0147922800000000 ] - [ 0.0065187400000000, -0.0072559600000000, 0.0166696000000000 ] - [ 0.0065943500000000, 0.0072797100000000, 0.0167755400000000 ] - [ 0.0066976400000000, 0.0071312500000000, 0.0165965100000000 ] - [ -0.0015099100000000, -0.0003119300000000, -0.0052983700000000 ] - [ -0.0015476400000000, -0.0001698600000000, -0.0055245000000000 ] - [ 0.0015121200000000, -0.0002671800000000, 0.0053672800000000 ] - [ 0.0015101100000000, -0.0002704000000000, 0.0053880300000000 ] - [ 0.0014472900000000, 0.0004384400000000, 0.0053770100000000 ] - [ 0.0015480200000000, -0.0000919100000000, 0.0053843000000000 ] - [ -0.0026013000000000, 0.0011561600000000, -0.0052520800000000 ] - [ -0.0013687800000000, 0.0001923400000000, -0.0052645200000000 ] - [ 0.0116795500000000, -0.0068530000000000, 0.0016822300000000 ] - [ 0.0117048400000000, -0.0065276800000000, 0.0014469200000000 ] - [ -0.0116616800000000, -0.0066207300000000, -0.0016169900000000 ] - [ -0.0116637300000000, -0.0066882200000000, -0.0015422500000000 ] - [ -0.0115849100000000, 0.0067430100000000, -0.0016361300000000 ] - [ -0.0116563300000000, 0.0066131000000000, -0.0015443200000000 ] - [ 0.0120250700000000, 0.0077174800000000, 0.0021978100000000 ] - [ 0.0115729700000000, 0.0066348200000000, 0.0013983700000000 ] - [ 0.0002522800000000, -0.0039317700000000, 0.0091033800000000 ] - [ -0.0001479000000000, -0.0040163500000000, 0.0087669800000000 ] - [ 0.0012559000000000, -0.0038636200000000, -0.0108713800000000 ] - [ -0.0000030800000000, -0.0041212800000000, -0.0089046300000000 ] - [ -0.0001486600000000, 0.0042005600000000, -0.0088144400000000 ] - [ 0.0000002200000000, 0.0038397500000000, -0.0090165200000000 ] - [ -0.0000417800000000, 0.0040153000000000, 0.0088731000000000 ] - [ -0.0000272200000000, 0.0040610900000000, 0.0089697200000000 ] - [ -0.0159283600000000, -0.0335635700000000, -0.0312935700000000 ] - [ -0.0159047000000000, -0.0336047300000000, -0.0314198600000000 ] - [ -0.0204917400000000, -0.0488390300000000, -0.0055826300000000 ] - [ -0.0207860900000000, -0.0493077600000000, -0.0057118400000000 ] - [ -0.0206755600000000, 0.0491640600000000, -0.0057765000000000 ] - [ -0.0206707000000000, 0.0490911300000000, -0.0057757700000000 ] - [ 0.0207242200000000, 0.0491669100000000, 0.0057612000000000 ] - [ 0.0209322200000000, 0.0492362600000000, 0.0057735800000000 ] - [ 0.0433245600000000, -0.0191418400000000, -0.0205679200000000 ] - [ 0.0443341700000000, -0.0170954400000000, -0.0192187600000000 ] - [ -0.0437359100000000, -0.0185885800000000, 0.0208010200000000 ] - [ -0.0434964900000000, -0.0190403200000000, 0.0209994200000000 ] - [ -0.0435913100000000, 0.0189872200000000, 0.0209416300000000 ] - [ -0.0436134300000000, 0.0188097300000000, 0.0209632600000000 ] - [ 0.0436131800000000, 0.0191173800000000, -0.0209893300000000 ] - [ 0.0434988800000000, 0.0191467500000000, -0.0210912900000000 ] - [ 0.0439511500000000, -0.0192878000000000, -0.0274440500000000 ] - [ 0.0436568200000000, -0.0188660900000000, -0.0268870300000000 ] - [ -0.0393972400000000, -0.0171512900000000, 0.0295619500000000 ] - [ -0.0429740300000000, -0.0191759600000000, 0.0271765500000000 ] - [ -0.0436079500000000, 0.0189857300000000, 0.0268884400000000 ] - [ -0.0435270200000000, 0.0188135800000000, 0.0268345000000000 ] - [ 0.0435178100000000, 0.0187893000000000, -0.0268865100000000 ] - [ 0.0435486600000000, 0.0188288000000000, -0.0269238300000000 ] - [ 0.0159087100000000, -0.0335522800000000, 0.0313953100000000 ] - [ 0.0158373400000000, -0.0336286500000000, 0.0313786000000000 ] - [ -0.0179492100000000, 0.0338292700000000, -0.0260972800000000 ] - [ -0.0161088700000000, 0.0328780500000000, -0.0310204100000000 ] - [ 0.0158870900000000, 0.0331186500000000, 0.0313111200000000 ] - [ 0.0157875000000000, 0.0336180200000000, 0.0314760600000000 ] - [ 0.0200844700000000, -0.0493052500000000, 0.0061662600000000 ] - [ 0.0189527500000000, -0.0481488300000000, 0.0074791500000000 ] - [ 0.0788234100000000, 0.0151828900000000, -0.0137091100000000 ] - [ 0.0790775700000000, 0.0154696000000000, -0.0142441300000000 ] - [ 0.1315589800000000, 0.0058106400000000, 0.0082776200000000 ] - [ 0.1315841300000000, 0.0058382000000000, 0.0083992100000000 ] - [ 0.1327940100000000, -0.0052590300000000, 0.0085011400000000 ] - [ 0.1315934900000000, -0.0055266100000000, 0.0082994600000000 ] - [ -0.1334106600000000, -0.0044960400000000, -0.0102017100000000 ] - [ -0.1312126900000000, -0.0054749400000000, -0.0078926300000000 ] - [ -0.1315038400000000, 0.0057761100000000, -0.0082497100000000 ] - [ -0.1315525700000000, 0.0057325600000000, -0.0082778300000000 ] - [ -0.0791223900000000, 0.0158505800000000, 0.0143319200000000 ] - [ -0.0790269800000000, 0.0157763300000000, 0.0144018200000000 ] - [ -0.0790369700000000, -0.0156957700000000, 0.0144453100000000 ] - [ -0.0787699600000000, -0.0158130800000000, 0.0143799200000000 ] - [ 0.0792896600000000, -0.0148907300000000, -0.0134065300000000 ] - [ 0.0790525900000000, -0.0156570200000000, -0.0146230900000000 ] - [ -0.0244834000000000, -0.0060674100000000, -0.0641167500000000 ] - [ -0.0245915600000000, -0.0059303100000000, -0.0640928600000000 ] - [ 0.0244176400000000, -0.0060501200000000, 0.0641800200000000 ] - [ 0.0243993900000000, -0.0059854800000000, 0.0642052900000000 ] - [ 0.0245299700000000, 0.0060134300000000, 0.0641152400000000 ] - [ 0.0245451300000000, 0.0062623600000000, 0.0642110700000000 ] - [ -0.0239229600000000, 0.0079666600000000, -0.0662959400000000 ] - [ -0.0247322100000000, 0.0061082400000000, -0.0638587900000000 ] - [ -0.0212285600000000, -0.1937859200000000, 0.0702117500000000 ] - [ -0.0191772700000000, -0.1551894700000000, 0.0710205600000000 ] - [ 0.0210259600000000, -0.1936202700000000, -0.0707420300000000 ] - [ 0.0211899900000000, -0.1936100400000000, -0.0708466000000000 ] - [ 0.0211444800000000, 0.1935234500000000, -0.0708280600000000 ] - [ 0.0211042100000000, 0.1935391700000000, -0.0708456800000000 ] - [ -0.0211892500000000, 0.1934657100000000, 0.0708063300000000 ] - [ -0.0213043600000000, 0.1935132000000000, 0.0711002400000000 ] - [ 0.0568505500000000, -0.0155570200000000, -0.0081773700000000 ] - [ 0.0568521100000000, -0.0155546100000000, -0.0081458700000000 ] - [ -0.0568318600000000, -0.0154557100000000, 0.0081237600000000 ] - [ -0.0568147900000000, -0.0155055500000000, 0.0081136700000000 ] - [ -0.0560899300000000, 0.0155400100000000, 0.0085042600000000 ] - [ -0.0565836900000000, 0.0155011400000000, 0.0082545300000000 ] - [ 0.0562295800000000, 0.0163944700000000, -0.0078001900000000 ] - [ 0.0570818000000000, 0.0155343500000000, -0.0083788700000000 ] - [ -0.0096844900000000, 0.1512512500000000, 0.0729612800000000 ] - [ -0.0094072800000000, 0.2029881800000000, 0.0788137500000000 ] - [ 0.0092550700000000, 0.2022881100000000, -0.0798216100000000 ] - [ 0.0093549900000000, 0.2022871500000000, -0.0800272800000000 ] - [ 0.0095763900000000, -0.2020493200000000, -0.0798043800000000 ] - [ 0.0095570500000000, -0.2020790000000000, -0.0797908800000000 ] - [ -0.0093579600000000, -0.2020711300000000, 0.0799373900000000 ] - [ -0.0095757300000000, -0.2020392000000000, 0.0798979000000000 ]- atom: 105 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0066000000000000, 0.0072335400000000, -0.0167545100000000 ] - [ -0.0066099600000000, 0.0072202600000000, -0.0167691300000000 ] - [ -0.0065850600000000, -0.0073317300000000, -0.0167268400000000 ] - [ -0.0067252500000000, -0.0071033200000000, -0.0167282500000000 ] - [ 0.0106687900000000, -0.0079234800000000, 0.0187010000000000 ] - [ 0.0066704400000000, -0.0071940300000000, 0.0168373700000000 ] - [ 0.0065907200000000, 0.0071747400000000, 0.0167309800000000 ] - [ 0.0064897900000000, 0.0073201900000000, 0.0169071400000000 ] - [ -0.0014815000000000, -0.0002395200000000, -0.0054769400000000 ] - [ -0.0014436000000000, -0.0003785300000000, -0.0052482900000000 ] - [ 0.0014810300000000, -0.0002830500000000, 0.0054069300000000 ] - [ 0.0014816600000000, -0.0002798600000000, 0.0053856100000000 ] - [ 0.0015451100000000, 0.0001125300000000, 0.0053958100000000 ] - [ 0.0014426400000000, 0.0006419000000000, 0.0053892700000000 ] - [ -0.0003597300000000, -0.0006241500000000, -0.0055293500000000 ] - [ -0.0016387500000000, 0.0003560100000000, -0.0055021200000000 ] - [ 0.0116489000000000, -0.0065113400000000, 0.0014187600000000 ] - [ 0.0116234700000000, -0.0068289700000000, 0.0016542100000000 ] - [ -0.0116666900000000, -0.0067361100000000, -0.0014830700000000 ] - [ -0.0116643000000000, -0.0066686800000000, -0.0015578700000000 ] - [ -0.0117455100000000, 0.0066148300000000, -0.0014646000000000 ] - [ -0.0116722800000000, 0.0067440900000000, -0.0015579500000000 ] - [ 0.0112894100000000, 0.0056212000000000, 0.0008834700000000 ] - [ 0.0117629500000000, 0.0067210100000000, 0.0017172100000000 ] - [ -0.0003055100000000, -0.0041693000000000, 0.0086940300000000 ] - [ 0.0000943200000000, -0.0040833800000000, 0.0090306200000000 ] - [ -0.0011995100000000, -0.0042442100000000, -0.0069355500000000 ] - [ 0.0000558200000000, -0.0039809600000000, -0.0088922500000000 ] - [ 0.0002035600000000, 0.0038989500000000, -0.0089849700000000 ] - [ 0.0000523800000000, 0.0042602500000000, -0.0087839900000000 ] - [ -0.0000107000000000, 0.0040869600000000, 0.0089267300000000 ] - [ -0.0000254100000000, 0.0040409700000000, 0.0088297200000000 ] - [ -0.0158236500000000, -0.0336256700000000, -0.0314803600000000 ] - [ -0.0158451700000000, -0.0335912600000000, -0.0313547000000000 ] - [ -0.0208683500000000, -0.0494594500000000, -0.0059710700000000 ] - [ -0.0205749100000000, -0.0489887500000000, -0.0058404600000000 ] - [ -0.0206840400000000, 0.0491305500000000, -0.0057743400000000 ] - [ -0.0206884200000000, 0.0492015100000000, -0.0057745500000000 ] - [ 0.0206314100000000, 0.0491271100000000, 0.0057932400000000 ] - [ 0.0204281100000000, 0.0490568700000000, 0.0057806500000000 ] - [ 0.0438599500000000, -0.0187222300000000, -0.0213483200000000 ] - [ 0.0428341100000000, -0.0207260300000000, -0.0227201100000000 ] - [ -0.0434444800000000, -0.0192712500000000, 0.0211034000000000 ] - [ -0.0436831300000000, -0.0188172400000000, 0.0209054300000000 ] - [ -0.0435873300000000, 0.0188734100000000, 0.0209642300000000 ] - [ -0.0435670900000000, 0.0190476000000000, 0.0209414400000000 ] - [ 0.0435649200000000, 0.0187290800000000, -0.0209084400000000 ] - [ 0.0436790600000000, 0.0187076400000000, -0.0208125400000000 ] - [ 0.0431291600000000, -0.0183654300000000, -0.0263417000000000 ] - [ 0.0434269600000000, -0.0187831500000000, -0.0268934500000000 ] - [ -0.0478240200000000, -0.0205431400000000, 0.0241331800000000 ] - [ -0.0441175200000000, -0.0184809300000000, 0.0266035700000000 ] - [ -0.0434736900000000, 0.0186751500000000, 0.0268930900000000 ] - [ -0.0435563800000000, 0.0188397400000000, 0.0269510300000000 ] - [ 0.0435673700000000, 0.0188635600000000, -0.0268988600000000 ] - [ 0.0435349600000000, 0.0188270800000000, -0.0268614700000000 ] - [ 0.0158419300000000, -0.0336421800000000, 0.0313795300000000 ] - [ 0.0159141500000000, -0.0335651100000000, 0.0313960800000000 ] - [ -0.0137410400000000, 0.0333395000000000, -0.0368502600000000 ] - [ -0.0156408300000000, 0.0343193200000000, -0.0317521400000000 ] - [ 0.0158673200000000, 0.0340815000000000, 0.0314610700000000 ] - [ 0.0159653300000000, 0.0335803800000000, 0.0312963400000000 ] - [ 0.0212779800000000, -0.0489925800000000, 0.0053649600000000 ] - [ 0.0224332800000000, -0.0501139700000000, 0.0040503200000000 ] - [ 0.0792710500000000, 0.0163556400000000, -0.0150219400000000 ] - [ 0.0790295600000000, 0.0160668900000000, -0.0144864300000000 ] - [ 0.1315971400000000, 0.0057902000000000, 0.0083564400000000 ] - [ 0.1315767200000000, 0.0057622400000000, 0.0082346400000000 ] - [ 0.1303657600000000, -0.0063450200000000, 0.0081339200000000 ] - [ 0.1315671500000000, -0.0060744600000000, 0.0083361800000000 ] - [ -0.1297404600000000, -0.0071134000000000, -0.0064219200000000 ] - [ -0.1319375200000000, -0.0061245500000000, -0.0087367400000000 ] - [ -0.1316584400000000, 0.0058248200000000, -0.0083859200000000 ] - [ -0.1316095800000000, 0.0058671700000000, -0.0083562100000000 ] - [ -0.0789840800000000, 0.0156814100000000, 0.0143983900000000 ] - [ -0.0790805400000000, 0.0157532600000000, 0.0143284300000000 ] - [ -0.0790700300000000, -0.0158351200000000, 0.0142834300000000 ] - [ -0.0793366000000000, -0.0157213300000000, 0.0143487500000000 ] - [ 0.0788125300000000, -0.0166425800000000, -0.0153303500000000 ] - [ 0.0790553600000000, -0.0158735800000000, -0.0141010800000000 ] - [ -0.0244649600000000, -0.0059771400000000, -0.0641579600000000 ] - [ -0.0243573800000000, -0.0061162900000000, -0.0641846200000000 ] - [ 0.0245343100000000, -0.0059969200000000, 0.0640922400000000 ] - [ 0.0245511900000000, -0.0060615900000000, 0.0640695000000000 ] - [ 0.0244204900000000, 0.0060369600000000, 0.0641588100000000 ] - [ 0.0244012000000000, 0.0057840200000000, 0.0640626500000000 ] - [ -0.0250136100000000, 0.0040809400000000, -0.0619763300000000 ] - [ -0.0242187200000000, 0.0059474600000000, -0.0643988700000000 ] - [ -0.0210087600000000, -0.1933253900000000, 0.0713935200000000 ] - [ -0.0230069400000000, -0.2302620900000000, 0.0705675900000000 ] - [ 0.0212154900000000, -0.1935252100000000, -0.0708401900000000 ] - [ 0.0210527800000000, -0.1935328500000000, -0.0707370500000000 ] - [ 0.0210976800000000, 0.1936221700000000, -0.0707548500000000 ] - [ 0.0211383000000000, 0.1936086800000000, -0.0707389600000000 ] - [ -0.0210529100000000, 0.1936854900000000, 0.0707693200000000 ] - [ -0.0209372900000000, 0.1936362000000000, 0.0704791000000000 ] - [ 0.0568833900000000, -0.0155514800000000, -0.0082133600000000 ] - [ 0.0568795600000000, -0.0155528200000000, -0.0082443200000000 ] - [ -0.0568984900000000, -0.0156519800000000, 0.0082667300000000 ] - [ -0.0569177100000000, -0.0156033500000000, 0.0082757200000000 ] - [ -0.0576563100000000, 0.0155629200000000, 0.0078886900000000 ] - [ -0.0571567600000000, 0.0156107800000000, 0.0081353600000000 ] - [ 0.0575100400000000, 0.0147146000000000, -0.0085955000000000 ] - [ 0.0566513600000000, 0.0155769500000000, -0.0080069700000000 ] - [ -0.0094815900000000, 0.2511677100000000, 0.0869784900000000 ] - [ -0.0097695500000000, 0.2010269800000000, 0.0807900200000000 ] - [ 0.0099217900000000, 0.2017698500000000, -0.0797836900000000 ] - [ 0.0098194700000000, 0.2017684000000000, -0.0795779200000000 ] - [ 0.0095995400000000, -0.2020080800000000, -0.0798035800000000 ] - [ 0.0096192700000000, -0.2019794200000000, -0.0798177400000000 ] - [ -0.0098150000000000, -0.2019868200000000, 0.0796673100000000 ] - [ -0.0096011000000000, -0.2020188000000000, 0.0797093500000000 ]- atom: 105 displacement: [ -0.0000427683518374, 0.0000000000000000, 0.0099999085429858 ] forces: - [ -0.0066175400000000, 0.0072032000000000, -0.0167454000000000 ] - [ -0.0066473200000000, 0.0072374200000000, -0.0167597500000000 ] - [ -0.0066801300000000, -0.0071993200000000, -0.0167675700000000 ] - [ -0.0064032600000000, -0.0074079500000000, -0.0166937300000000 ] - [ 0.0094343200000000, -0.0082900800000000, 0.0170668300000000 ] - [ 0.0066257600000000, -0.0072428200000000, 0.0167684100000000 ] - [ 0.0065366700000000, 0.0073109600000000, 0.0168076700000000 ] - [ 0.0066647800000000, 0.0071228300000000, 0.0165050300000000 ] - [ -0.0014678800000000, -0.0003183300000000, -0.0054520000000000 ] - [ -0.0017267700000000, -0.0002447900000000, -0.0062801000000000 ] - [ 0.0016797400000000, -0.0002756400000000, 0.0053759700000000 ] - [ 0.0015209300000000, -0.0002833900000000, 0.0053859600000000 ] - [ 0.0010177000000000, 0.0002689200000000, 0.0055953800000000 ] - [ 0.0014131300000000, 0.0002635600000000, 0.0053653600000000 ] - [ -0.0021347000000000, 0.0001257300000000, -0.0050303400000000 ] - [ -0.0011252000000000, 0.0005192200000000, -0.0052056300000000 ] - [ 0.0116559700000000, -0.0068454900000000, 0.0015170900000000 ] - [ 0.0119772000000000, -0.0066954400000000, 0.0011733400000000 ] - [ -0.0117264600000000, -0.0066764200000000, -0.0015367600000000 ] - [ -0.0116531100000000, -0.0067004600000000, -0.0015382100000000 ] - [ -0.0115316400000000, 0.0067903000000000, -0.0017350700000000 ] - [ -0.0116652300000000, 0.0066774700000000, -0.0015441600000000 ] - [ 0.0125706300000000, 0.0074607600000000, 0.0030771200000000 ] - [ 0.0113140200000000, 0.0069178500000000, 0.0012634900000000 ] - [ -0.0000655600000000, -0.0040869300000000, 0.0087849500000000 ] - [ -0.0001460900000000, -0.0040639700000000, 0.0088386000000000 ] - [ -0.0017409900000000, -0.0050030000000000, -0.0069584500000000 ] - [ 0.0000064800000000, -0.0040787000000000, -0.0087762200000000 ] - [ 0.0000631800000000, 0.0044377100000000, -0.0090628600000000 ] - [ 0.0000116500000000, 0.0037256700000000, -0.0090487700000000 ] - [ -0.0000195400000000, 0.0040408100000000, 0.0089498200000000 ] - [ -0.0000080400000000, 0.0040414800000000, 0.0089549300000000 ] - [ -0.0160886800000000, -0.0335183500000000, -0.0317856200000000 ] - [ -0.0159087400000000, -0.0336157900000000, -0.0314640100000000 ] - [ -0.0204349200000000, -0.0487490300000000, -0.0054950000000000 ] - [ -0.0206285900000000, -0.0491711400000000, -0.0057733300000000 ] - [ -0.0207592800000000, 0.0492359300000000, -0.0057916800000000 ] - [ -0.0206962200000000, 0.0491240500000000, -0.0058215400000000 ] - [ 0.0205353600000000, 0.0490209600000000, 0.0058558900000000 ] - [ 0.0206781200000000, 0.0492763600000000, 0.0055750100000000 ] - [ 0.0439385300000000, -0.0191665600000000, -0.0210627400000000 ] - [ 0.0435808800000000, -0.0183093600000000, -0.0204401700000000 ] - [ -0.0437512800000000, -0.0190115000000000, 0.0207307500000000 ] - [ -0.0436909100000000, -0.0188653700000000, 0.0209163300000000 ] - [ -0.0434827500000000, 0.0191633400000000, 0.0209902600000000 ] - [ -0.0435989300000000, 0.0188550100000000, 0.0209517200000000 ] - [ 0.0434307900000000, 0.0183440800000000, -0.0205807100000000 ] - [ 0.0435582900000000, 0.0190190000000000, -0.0211762400000000 ] - [ 0.0433266200000000, -0.0188517900000000, -0.0266015800000000 ] - [ 0.0432064800000000, -0.0182927100000000, -0.0267483300000000 ] - [ -0.0232943300000000, -0.0156150500000000, 0.0415878300000000 ] - [ -0.0434948800000000, -0.0191633200000000, 0.0269123900000000 ] - [ -0.0434865700000000, 0.0194720300000000, 0.0267106500000000 ] - [ -0.0435480000000000, 0.0187549000000000, 0.0267526500000000 ] - [ 0.0436095700000000, 0.0187723600000000, -0.0269215700000000 ] - [ 0.0436281500000000, 0.0188392800000000, -0.0270115000000000 ] - [ 0.0158606100000000, -0.0336149600000000, 0.0313705000000000 ] - [ 0.0157430700000000, -0.0337117800000000, 0.0313352000000000 ] - [ -0.0302083000000000, 0.0402412500000000, 0.0145861200000000 ] - [ -0.0158709600000000, 0.0329561500000000, -0.0313092100000000 ] - [ 0.0157625900000000, 0.0335985400000000, 0.0313147600000000 ] - [ 0.0159457100000000, 0.0335489100000000, 0.0314221400000000 ] - [ 0.0206956000000000, -0.0496013900000000, 0.0055248700000000 ] - [ 0.0206443500000000, -0.0484135000000000, 0.0065615100000000 ] - [ 0.0779600800000000, 0.0161652900000000, -0.0130464100000000 ] - [ 0.0790252700000000, 0.0157581500000000, -0.0139384800000000 ] - [ 0.1313366300000000, 0.0056149000000000, 0.0086108700000000 ] - [ 0.1315679400000000, 0.0059090500000000, 0.0084112100000000 ] - [ 0.1314061300000000, -0.0068681600000000, 0.0068784800000000 ] - [ 0.1316761800000000, -0.0057179900000000, 0.0081634200000000 ] - [ -0.1307555900000000, -0.0066894700000000, -0.0083129000000000 ] - [ -0.1313818900000000, -0.0052966700000000, -0.0082080500000000 ] - [ -0.1316029300000000, 0.0058725500000000, -0.0082701800000000 ] - [ -0.1316099300000000, 0.0056772600000000, -0.0081592000000000 ] - [ -0.0790246600000000, 0.0157507600000000, 0.0143751400000000 ] - [ -0.0787725100000000, 0.0157861400000000, 0.0145435600000000 ] - [ -0.0790132000000000, -0.0157414800000000, 0.0143682400000000 ] - [ -0.0790705400000000, -0.0159177300000000, 0.0143384300000000 ] - [ 0.0812041100000000, -0.0131025500000000, -0.0091247900000000 ] - [ 0.0790338100000000, -0.0156818200000000, -0.0143083100000000 ] - [ -0.0244282300000000, -0.0058775400000000, -0.0641360700000000 ] - [ -0.0243397700000000, -0.0063886700000000, -0.0638019100000000 ] - [ 0.0244578400000000, -0.0061058800000000, 0.0641128800000000 ] - [ 0.0244224200000000, -0.0059386100000000, 0.0642147400000000 ] - [ 0.0247054800000000, 0.0060460800000000, 0.0641367300000000 ] - [ 0.0244556500000000, 0.0058896900000000, 0.0641556800000000 ] - [ -0.0241686200000000, 0.0059158700000000, -0.0638029600000000 ] - [ -0.0252248200000000, 0.0061453500000000, -0.0632622600000000 ] - [ -0.0210819600000000, -0.1935261500000000, 0.0703085900000000 ] - [ -0.0212364400000000, -0.1964452900000000, 0.0745201900000000 ] - [ 0.0210409600000000, -0.1937076700000000, -0.0708017400000000 ] - [ 0.0209549700000000, -0.1937950200000000, -0.0707916000000000 ] - [ 0.0211654300000000, 0.1935136700000000, -0.0707412800000000 ] - [ 0.0211287300000000, 0.1936510600000000, -0.0707528900000000 ] - [ -0.0209827200000000, 0.1939210500000000, 0.0707119400000000 ] - [ -0.0212288000000000, 0.1935163100000000, 0.0711905200000000 ] - [ 0.0569875200000000, -0.0155859100000000, -0.0080921300000000 ] - [ 0.0568470900000000, -0.0155299900000000, -0.0081096600000000 ] - [ -0.0568531700000000, -0.0155408400000000, 0.0082267800000000 ] - [ -0.0566876000000000, -0.0155546300000000, 0.0082700000000000 ] - [ -0.0569873600000000, 0.0155212000000000, 0.0080683500000000 ] - [ -0.0567439300000000, 0.0155168500000000, 0.0080457200000000 ] - [ 0.0552449600000000, 0.0157004900000000, -0.0072049400000000 ] - [ 0.0566714400000000, 0.0159071100000000, -0.0083992800000000 ] - [ -0.0161276800000000, 0.1949459200000000, 0.0041372400000000 ] - [ -0.0095488000000000, 0.2010417000000000, 0.0796815900000000 ] - [ 0.0096309200000000, 0.2022545200000000, -0.0799759400000000 ] - [ 0.0095333200000000, 0.2020456700000000, -0.0799775600000000 ] - [ 0.0095798100000000, -0.2020305200000000, -0.0797468500000000 ] - [ 0.0095987000000000, -0.2020167900000000, -0.0797655900000000 ] - [ -0.0095433500000000, -0.2021641500000000, 0.0798754300000000 ] - [ -0.0095549900000000, -0.2021247600000000, 0.0799749200000000 ]- atom: 105 displacement: [ 0.0000427683518374, 0.0000000000000000, -0.0099999085429858 ] forces: - [ -0.0065693700000000, 0.0072455800000000, -0.0167617100000000 ] - [ -0.0065386000000000, 0.0072120600000000, -0.0167463100000000 ] - [ -0.0065114100000000, -0.0072515200000000, -0.0167406900000000 ] - [ -0.0067834500000000, -0.0070386200000000, -0.0168125400000000 ] - [ 0.0037430600000000, -0.0061579500000000, 0.0164550900000000 ] - [ 0.0065617800000000, -0.0072054500000000, 0.0167363700000000 ] - [ 0.0066498900000000, 0.0071427800000000, 0.0167029700000000 ] - [ 0.0065233400000000, 0.0073270300000000, 0.0170029200000000 ] - [ -0.0015250600000000, -0.0002317600000000, -0.0053201900000000 ] - [ -0.0012653500000000, -0.0003031400000000, -0.0044949300000000 ] - [ 0.0013117500000000, -0.0002743800000000, 0.0053972200000000 ] - [ 0.0014713000000000, -0.0002663100000000, 0.0053862500000000 ] - [ 0.0019748300000000, 0.0002819300000000, 0.0051828000000000 ] - [ 0.0015806700000000, 0.0002862600000000, 0.0054087600000000 ] - [ -0.0008587000000000, 0.0004235100000000, -0.0057400500000000 ] - [ -0.0018690800000000, 0.0000324900000000, -0.0055670900000000 ] - [ 0.0116730100000000, -0.0065182700000000, 0.0015892600000000 ] - [ 0.0113536600000000, -0.0066614400000000, 0.0019310300000000 ] - [ -0.0116011500000000, -0.0066817500000000, -0.0015657300000000 ] - [ -0.0116746500000000, -0.0066565500000000, -0.0015644500000000 ] - [ -0.0117991800000000, 0.0065660900000000, -0.0013633100000000 ] - [ -0.0116640200000000, 0.0066800100000000, -0.0015568900000000 ] - [ 0.0107302100000000, 0.0058660900000000, 0.0000048600000000 ] - [ 0.0120139200000000, 0.0064403100000000, 0.0018369800000000 ] - [ 0.0000136400000000, -0.0040133600000000, 0.0090154400000000 ] - [ 0.0000925400000000, -0.0040363700000000, 0.0089605500000000 ] - [ 0.0018467100000000, -0.0030587200000000, -0.0108932700000000 ] - [ 0.0000453600000000, -0.0040243000000000, -0.0090225100000000 ] - [ -0.0000089500000000, 0.0036649200000000, -0.0087320700000000 ] - [ 0.0000410800000000, 0.0043713200000000, -0.0087482200000000 ] - [ -0.0000332000000000, 0.0040624400000000, 0.0088474200000000 ] - [ -0.0000442700000000, 0.0040615400000000, 0.0088388400000000 ] - [ -0.0156645600000000, -0.0336747600000000, -0.0309862800000000 ] - [ -0.0158426800000000, -0.0335778000000000, -0.0313107400000000 ] - [ -0.0209261800000000, -0.0495516300000000, -0.0060580800000000 ] - [ -0.0207329400000000, -0.0491213900000000, -0.0057778600000000 ] - [ -0.0205983200000000, 0.0490578000000000, -0.0057595100000000 ] - [ -0.0206624900000000, 0.0491694300000000, -0.0057293300000000 ] - [ 0.0208240200000000, 0.0492733900000000, 0.0056957200000000 ] - [ 0.0206833100000000, 0.0490163300000000, 0.0059759000000000 ] - [ 0.0432483600000000, -0.0186990000000000, -0.0208484500000000 ] - [ 0.0435994300000000, -0.0195433600000000, -0.0214632200000000 ] - [ -0.0434226900000000, -0.0188604000000000, 0.0211768300000000 ] - [ -0.0434896300000000, -0.0189906400000000, 0.0209893000000000 ] - [ -0.0436992500000000, 0.0186939500000000, 0.0209130300000000 ] - [ -0.0435823900000000, 0.0190027600000000, 0.0209527400000000 ] - [ 0.0437506600000000, 0.0195168600000000, -0.0213270000000000 ] - [ 0.0436203000000000, 0.0188393700000000, -0.0207295600000000 ] - [ 0.0437576500000000, -0.0188058600000000, -0.0271869300000000 ] - [ 0.0438735600000000, -0.0193536300000000, -0.0270299700000000 ] - [ -0.0633554000000000, -0.0220049100000000, 0.0123554800000000 ] - [ -0.0435872900000000, -0.0184930100000000, 0.0268715900000000 ] - [ -0.0435954400000000, 0.0181818400000000, 0.0270692100000000 ] - [ -0.0435342100000000, 0.0189008800000000, 0.0270318400000000 ] - [ 0.0434724200000000, 0.0188834500000000, -0.0268636400000000 ] - [ 0.0434538000000000, 0.0188157500000000, -0.0267746200000000 ] - [ 0.0158902200000000, -0.0335800400000000, 0.0314036700000000 ] - [ 0.0160088400000000, -0.0334840600000000, 0.0314373500000000 ] - [ -0.0021691500000000, 0.0271512000000000, -0.0756690000000000 ] - [ -0.0158808200000000, 0.0342329600000000, -0.0314634200000000 ] - [ 0.0159953600000000, 0.0335974100000000, 0.0314633600000000 ] - [ 0.0158067000000000, 0.0336473900000000, 0.0313515500000000 ] - [ 0.0206583000000000, -0.0486899700000000, 0.0060132200000000 ] - [ 0.0207317300000000, -0.0498699800000000, 0.0049796800000000 ] - [ 0.0801554000000000, 0.0153459200000000, -0.0156906000000000 ] - [ 0.0790827500000000, 0.0157724700000000, -0.0147884700000000 ] - [ 0.1318275600000000, 0.0059849400000000, 0.0080215400000000 ] - [ 0.1315938000000000, 0.0056913800000000, 0.0082227800000000 ] - [ 0.1317148600000000, -0.0047341400000000, 0.0097461500000000 ] - [ 0.1314860900000000, -0.0058814500000000, 0.0084696300000000 ] - [ -0.1324031400000000, -0.0049086200000000, -0.0083236900000000 ] - [ -0.1317798200000000, -0.0063013800000000, -0.0084214800000000 ] - [ -0.1315575000000000, 0.0057267300000000, -0.0083629900000000 ] - [ -0.1315498800000000, 0.0059223100000000, -0.0084739200000000 ] - [ -0.0790820700000000, 0.0157804800000000, 0.0143560400000000 ] - [ -0.0793325400000000, 0.0157459700000000, 0.0141873800000000 ] - [ -0.0790956300000000, -0.0157877700000000, 0.0143597300000000 ] - [ -0.0790402200000000, -0.0156212200000000, 0.0143903200000000 ] - [ 0.0769258900000000, -0.0184003400000000, -0.0195248400000000 ] - [ 0.0790720600000000, -0.0158463700000000, -0.0144210500000000 ] - [ -0.0245222200000000, -0.0061715100000000, -0.0641390100000000 ] - [ -0.0246152200000000, -0.0056571800000000, -0.0644765800000000 ] - [ 0.0244940100000000, -0.0059420600000000, 0.0641618800000000 ] - [ 0.0245278000000000, -0.0061092400000000, 0.0640602400000000 ] - [ 0.0242362000000000, 0.0060062700000000, 0.0641399400000000 ] - [ 0.0244908900000000, 0.0061528000000000, 0.0641184000000000 ] - [ -0.0247746900000000, 0.0061457100000000, -0.0644860000000000 ] - [ -0.0237261800000000, 0.0059046700000000, -0.0650072900000000 ] - [ -0.0211620800000000, -0.1936166600000000, 0.0712703600000000 ] - [ -0.0210290300000000, -0.1907925500000000, 0.0670824900000000 ] - [ 0.0211991300000000, -0.1934380700000000, -0.0707809500000000 ] - [ 0.0212864100000000, -0.1933506300000000, -0.0707910300000000 ] - [ 0.0210770000000000, 0.1936326300000000, -0.0708430500000000 ] - [ 0.0211141100000000, 0.1934954800000000, -0.0708314400000000 ] - [ -0.0212621700000000, 0.1932229800000000, 0.0708681400000000 ] - [ -0.0210135400000000, 0.1936317100000000, 0.0703951900000000 ] - [ 0.0567432000000000, -0.0155226100000000, -0.0082976300000000 ] - [ 0.0568837600000000, -0.0155779400000000, -0.0082793600000000 ] - [ -0.0568788300000000, -0.0155663400000000, 0.0081617100000000 ] - [ -0.0570460100000000, -0.0155515200000000, 0.0081165000000000 ] - [ -0.0567555000000000, 0.0155789700000000, 0.0083251700000000 ] - [ -0.0569875200000000, 0.0155879200000000, 0.0083465200000000 ] - [ 0.0584897300000000, 0.0153853800000000, -0.0091972100000000 ] - [ 0.0570627000000000, 0.0152025800000000, -0.0079880300000000 ] - [ -0.0028419900000000, 0.2089629600000000, 0.1536251800000000 ] - [ -0.0096271000000000, 0.2030187700000000, 0.0799242500000000 ] - [ 0.0095376000000000, 0.2018058200000000, -0.0796283800000000 ] - [ 0.0096493100000000, 0.2020093500000000, -0.0796291600000000 ] - [ 0.0095970400000000, -0.2020287500000000, -0.0798608600000000 ] - [ 0.0095771600000000, -0.2020423600000000, -0.0798418500000000 ] - [ -0.0096320700000000, -0.2018951100000000, 0.0797325700000000 ] - [ -0.0096210100000000, -0.2019351700000000, 0.0796330900000000 ]