# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/6d7ef228-d554-4611-b0dc-661c95abdda9/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 Ba3Na2Ti3Nb2O15 / Cmmm (65) / materials id 40873](https://mdr.nims.go.jp/datasets/4166197d-84b1-4d04-bccf-f193013c2a4f) ## 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: "Cmmm" number: 65 Hall_symbol: "-C 2 2"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 2.810682925000000, -14.099574315000000, 0.000000000000000 ] # a - [ 2.810682925000000, 14.099574315000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 3.987171600000000 ] # c points: - symbol: Ba # 1 coordinates: [ 0.598949190000000, 0.401050810000000, 0.000000000000000 ] mass: 137.327000 - symbol: Ba # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 137.327000 - symbol: Ba # 3 coordinates: [ 0.401050810000000, 0.598949190000000, 0.000000000000000 ] mass: 137.327000 - symbol: Na # 4 coordinates: [ 0.805906040000000, 0.194093960000000, 0.000000000000000 ] mass: 22.989769 - symbol: Na # 5 coordinates: [ 0.194093960000000, 0.805906040000000, 0.000000000000000 ] mass: 22.989769 - symbol: Nb # 6 coordinates: [ 0.299346420000000, 0.700653580000000, 0.500000000000000 ] mass: 92.906380 - symbol: Nb # 7 coordinates: [ 0.700653580000000, 0.299346420000000, 0.500000000000000 ] mass: 92.906380 - symbol: O # 8 coordinates: [ 0.799690470000000, 0.699600910000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.200309530000000, 0.300399090000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.300399090000000, 0.200309530000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.601086920000000, 0.900346840000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.699600910000000, 0.799690470000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.099653160000000, 0.398913080000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.398913080000000, 0.099653160000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.900346840000000, 0.601086920000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.899578130000000, 0.100421870000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.300601330000000, 0.699398670000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.699398670000000, 0.300601330000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.100421870000000, 0.899578130000000, 0.000000000000000 ] mass: 15.999400 - symbol: Ti # 23 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 47.867000 - symbol: Ti # 24 coordinates: [ 0.899416870000000, 0.100583130000000, 0.500000000000000 ] mass: 47.867000 - symbol: Ti # 25 coordinates: [ 0.100583130000000, 0.899416870000000, 0.500000000000000 ] mass: 47.867000 reciprocal_lattice: # without 2pi - [ 0.177892709118016, -0.035462063522589, 0.000000000000000 ] # a* - [ 0.177892709118016, 0.035462063522589, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.250804354645784 ] # c*unit_cell: lattice: - [ 5.621365850000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 28.199148630000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 3.987171600000000 ] # c points: - symbol: Ba # 1 coordinates: [ 0.500000000000000, 0.901050810000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 2 - symbol: Ba # 3 coordinates: [ 0.500000000000000, 0.098949190000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 3 - symbol: Ba # 4 coordinates: [ 0.000000000000000, 0.401050810000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 5 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 2 - symbol: Ba # 6 coordinates: [ 0.000000000000000, 0.598949190000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 3 - symbol: Na # 7 coordinates: [ 0.000000000000000, 0.194093960000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 8 coordinates: [ 0.500000000000000, 0.305906040000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 8 - symbol: Na # 9 coordinates: [ 0.500000000000000, 0.694093960000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 10 coordinates: [ 0.000000000000000, 0.805906040000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 8 - symbol: Nb # 11 coordinates: [ 0.500000000000000, 0.200653580000000, 0.500000000000000 ] mass: 92.906380 reduced_to: 11 - symbol: Nb # 12 coordinates: [ 0.000000000000000, 0.299346420000000, 0.500000000000000 ] mass: 92.906380 reduced_to: 12 - symbol: Nb # 13 coordinates: [ 0.000000000000000, 0.700653580000000, 0.500000000000000 ] mass: 92.906380 reduced_to: 11 - symbol: Nb # 14 coordinates: [ 0.500000000000000, 0.799346420000000, 0.500000000000000 ] mass: 92.906380 reduced_to: 12 - symbol: O # 15 coordinates: [ 0.749645690000000, 0.949955220000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.250354310000000, 0.050044780000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.250354310000000, 0.949955220000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.750716880000000, 0.149629960000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.250000000000000, 0.250000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.749645690000000, 0.050044780000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.249283120000000, 0.149629960000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.749283120000000, 0.350370040000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.750000000000000, 0.250000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.250716880000000, 0.350370040000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.000000000000000, 0.100421870000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.500000000000000, 0.199398670000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.000000000000000, 0.300601330000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.500000000000000, 0.399578130000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.249645690000000, 0.449955220000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 31 coordinates: [ 0.750354310000000, 0.550044780000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 32 coordinates: [ 0.750354310000000, 0.449955220000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 33 coordinates: [ 0.250716880000000, 0.649629960000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 34 coordinates: [ 0.750000000000000, 0.750000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 35 coordinates: [ 0.249645690000000, 0.550044780000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 36 coordinates: [ 0.749283120000000, 0.649629960000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 37 coordinates: [ 0.249283120000000, 0.850370040000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 38 coordinates: [ 0.250000000000000, 0.750000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 39 coordinates: [ 0.750716880000000, 0.850370040000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 40 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 41 coordinates: [ 0.500000000000000, 0.600421870000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 42 coordinates: [ 0.000000000000000, 0.699398670000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 43 coordinates: [ 0.500000000000000, 0.800601330000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 44 coordinates: [ 0.000000000000000, 0.899578130000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 29 - symbol: Ti # 45 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 47.867000 reduced_to: 45 - symbol: Ti # 46 coordinates: [ 0.000000000000000, 0.100583130000000, 0.500000000000000 ] mass: 47.867000 reduced_to: 46 - symbol: Ti # 47 coordinates: [ 0.500000000000000, 0.399416870000000, 0.500000000000000 ] mass: 47.867000 reduced_to: 47 - symbol: Ti # 48 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 47.867000 reduced_to: 45 - symbol: Ti # 49 coordinates: [ 0.500000000000000, 0.600583130000000, 0.500000000000000 ] mass: 47.867000 reduced_to: 46 - symbol: Ti # 50 coordinates: [ 0.000000000000000, 0.899416870000000, 0.500000000000000 ] mass: 47.867000 reduced_to: 47supercell: lattice: - [ 5.621365850000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 28.199148630000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 7.974343200000000 ] # c points: - symbol: Ba # 1 coordinates: [ 0.500000000000000, 0.901050810000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 2 coordinates: [ 0.500000000000000, 0.901050810000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 3 - symbol: Ba # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 3 - symbol: Ba # 5 coordinates: [ 0.500000000000000, 0.098949190000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 6 coordinates: [ 0.500000000000000, 0.098949190000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 7 coordinates: [ 0.000000000000000, 0.401050810000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 8 coordinates: [ 0.000000000000000, 0.401050810000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 9 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 3 - symbol: Ba # 10 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 3 - symbol: Ba # 11 coordinates: [ 0.000000000000000, 0.598949190000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 12 coordinates: [ 0.000000000000000, 0.598949190000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 5 - symbol: Na # 13 coordinates: [ 0.000000000000000, 0.194093960000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 14 coordinates: [ 0.000000000000000, 0.194093960000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 15 coordinates: [ 0.500000000000000, 0.305906040000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 15 - symbol: Na # 16 coordinates: [ 0.500000000000000, 0.305906040000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 15 - symbol: Na # 17 coordinates: [ 0.500000000000000, 0.694093960000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 18 coordinates: [ 0.500000000000000, 0.694093960000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 19 coordinates: [ 0.000000000000000, 0.805906040000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 15 - symbol: Na # 20 coordinates: [ 0.000000000000000, 0.805906040000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 15 - symbol: Nb # 21 coordinates: [ 0.500000000000000, 0.200653580000000, 0.250000000000000 ] mass: 92.906380 reduced_to: 21 - symbol: Nb # 22 coordinates: [ 0.500000000000000, 0.200653580000000, 0.750000000000000 ] mass: 92.906380 reduced_to: 21 - symbol: Nb # 23 coordinates: [ 0.000000000000000, 0.299346420000000, 0.250000000000000 ] mass: 92.906380 reduced_to: 23 - symbol: Nb # 24 coordinates: [ 0.000000000000000, 0.299346420000000, 0.750000000000000 ] mass: 92.906380 reduced_to: 23 - symbol: Nb # 25 coordinates: [ 0.000000000000000, 0.700653580000000, 0.250000000000000 ] mass: 92.906380 reduced_to: 21 - symbol: Nb # 26 coordinates: [ 0.000000000000000, 0.700653580000000, 0.750000000000000 ] mass: 92.906380 reduced_to: 21 - symbol: Nb # 27 coordinates: [ 0.500000000000000, 0.799346420000000, 0.250000000000000 ] mass: 92.906380 reduced_to: 23 - symbol: Nb # 28 coordinates: [ 0.500000000000000, 0.799346420000000, 0.750000000000000 ] mass: 92.906380 reduced_to: 23 - symbol: O # 29 coordinates: [ 0.749645690000000, 0.949955220000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.749645690000000, 0.949955220000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 31 coordinates: [ 0.250354310000000, 0.050044780000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.250354310000000, 0.050044780000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 33 coordinates: [ 0.250354310000000, 0.949955220000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.250354310000000, 0.949955220000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.750716880000000, 0.149629960000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.750716880000000, 0.149629960000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 37 coordinates: [ 0.250000000000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.250000000000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.749645690000000, 0.050044780000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.749645690000000, 0.050044780000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 41 coordinates: [ 0.249283120000000, 0.149629960000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.249283120000000, 0.149629960000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.749283120000000, 0.350370040000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.749283120000000, 0.350370040000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.750000000000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.750000000000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.250716880000000, 0.350370040000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.250716880000000, 0.350370040000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 49 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.000000000000000, 0.100421870000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.000000000000000, 0.100421870000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 53 coordinates: [ 0.500000000000000, 0.199398670000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.500000000000000, 0.199398670000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.000000000000000, 0.300601330000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.000000000000000, 0.300601330000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.500000000000000, 0.399578130000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.500000000000000, 0.399578130000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.249645690000000, 0.449955220000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 60 coordinates: [ 0.249645690000000, 0.449955220000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 61 coordinates: [ 0.750354310000000, 0.550044780000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 62 coordinates: [ 0.750354310000000, 0.550044780000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 63 coordinates: [ 0.750354310000000, 0.449955220000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 64 coordinates: [ 0.750354310000000, 0.449955220000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 65 coordinates: [ 0.250716880000000, 0.649629960000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 66 coordinates: [ 0.250716880000000, 0.649629960000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 67 coordinates: [ 0.750000000000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 68 coordinates: [ 0.750000000000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 69 coordinates: [ 0.249645690000000, 0.550044780000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 70 coordinates: [ 0.249645690000000, 0.550044780000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 71 coordinates: [ 0.749283120000000, 0.649629960000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 72 coordinates: [ 0.749283120000000, 0.649629960000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 73 coordinates: [ 0.249283120000000, 0.850370040000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 74 coordinates: [ 0.249283120000000, 0.850370040000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 75 coordinates: [ 0.250000000000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 76 coordinates: [ 0.250000000000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 77 coordinates: [ 0.750716880000000, 0.850370040000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 78 coordinates: [ 0.750716880000000, 0.850370040000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 79 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 80 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 81 coordinates: [ 0.500000000000000, 0.600421870000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 82 coordinates: [ 0.500000000000000, 0.600421870000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 83 coordinates: [ 0.000000000000000, 0.699398670000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 84 coordinates: [ 0.000000000000000, 0.699398670000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 85 coordinates: [ 0.500000000000000, 0.800601330000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 86 coordinates: [ 0.500000000000000, 0.800601330000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 87 coordinates: [ 0.000000000000000, 0.899578130000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 88 coordinates: [ 0.000000000000000, 0.899578130000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: Ti # 89 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 47.867000 reduced_to: 89 - symbol: Ti # 90 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 47.867000 reduced_to: 89 - symbol: Ti # 91 coordinates: [ 0.000000000000000, 0.100583130000000, 0.250000000000000 ] mass: 47.867000 reduced_to: 91 - symbol: Ti # 92 coordinates: [ 0.000000000000000, 0.100583130000000, 0.750000000000000 ] mass: 47.867000 reduced_to: 91 - symbol: Ti # 93 coordinates: [ 0.500000000000000, 0.399416870000000, 0.250000000000000 ] mass: 47.867000 reduced_to: 93 - symbol: Ti # 94 coordinates: [ 0.500000000000000, 0.399416870000000, 0.750000000000000 ] mass: 47.867000 reduced_to: 93 - symbol: Ti # 95 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 47.867000 reduced_to: 89 - symbol: Ti # 96 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 47.867000 reduced_to: 89 - symbol: Ti # 97 coordinates: [ 0.500000000000000, 0.600583130000000, 0.250000000000000 ] mass: 47.867000 reduced_to: 91 - symbol: Ti # 98 coordinates: [ 0.500000000000000, 0.600583130000000, 0.750000000000000 ] mass: 47.867000 reduced_to: 91 - symbol: Ti # 99 coordinates: [ 0.000000000000000, 0.899416870000000, 0.250000000000000 ] mass: 47.867000 reduced_to: 93 - symbol: Ti # 100 coordinates: [ 0.000000000000000, 0.899416870000000, 0.750000000000000 ] mass: 47.867000 reduced_to: 93displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0779470700000000, 0.0000683000000000, 0.0000000000000000 ] - [ -0.0038181000000000, 0.0000965000000000, 0.0000000000000000 ] - [ 0.0089589100000000, 0.0000704200000000, 0.0000000000000000 ] - [ 0.0013182100000000, 0.0000004800000000, 0.0000000000000000 ] - [ -0.0000174700000000, -0.0001017900000000, 0.0000000000000000 ] - [ -0.0000148200000000, -0.0000994000000000, 0.0000000000000000 ] - [ 0.0000009400000000, 0.0000924200000000, 0.0000000000000000 ] - [ 0.0000009900000000, 0.0000934100000000, 0.0000000000000000 ] - [ -0.0000012200000000, 0.0000000600000000, 0.0000000000000000 ] - [ -0.0000012600000000, 0.0000009300000000, 0.0000000000000000 ] - [ 0.0000152600000000, -0.0000929500000000, 0.0000000000000000 ] - [ 0.0000164500000000, -0.0000947800000000, 0.0000000000000000 ] - [ 0.0000057800000000, -0.0000754800000000, 0.0000000000000000 ] - [ 0.0000046900000000, -0.0000751600000000, 0.0000000000000000 ] - [ -0.0000002800000000, 0.0000809800000000, 0.0000000000000000 ] - [ -0.0000001700000000, 0.0000790300000000, 0.0000000000000000 ] - [ -0.0000040800000000, -0.0000793000000000, 0.0000000000000000 ] - [ -0.0000076600000000, -0.0000797500000000, 0.0000000000000000 ] - [ 0.0038439300000000, 0.0000460600000000, 0.0000000000000000 ] - [ 0.0005777400000000, 0.0000786100000000, 0.0000000000000000 ] - [ -0.0000724300000000, -0.0043593400000000, -0.0000011400000000 ] - [ -0.0000724300000000, -0.0043593400000000, 0.0000011400000000 ] - [ 0.0000044200000000, 0.0043603000000000, 0.0000001700000000 ] - [ 0.0000044200000000, 0.0043603000000000, -0.0000001700000000 ] - [ 0.0002397900000000, -0.0043595900000000, 0.0000000700000000 ] - [ 0.0002397900000000, -0.0043595900000000, -0.0000000700000000 ] - [ -0.0099655800000000, 0.0043847200000000, -0.0000435000000000 ] - [ -0.0099655800000000, 0.0043847200000000, 0.0000435000000000 ] - [ 0.0027192000000000, -0.0006314000000000, 0.0009595500000000 ] - [ 0.0027192000000000, -0.0006314000000000, -0.0009595500000000 ] - [ 0.0003401300000000, 0.0003775900000000, -0.0000639400000000 ] - [ 0.0003401300000000, 0.0003775900000000, 0.0000639400000000 ] - [ 0.0027813800000000, 0.0003631800000000, -0.0008545800000000 ] - [ 0.0027813800000000, 0.0003631800000000, 0.0008545800000000 ] - [ -0.0000174100000000, -0.0001531400000000, -0.0000043100000000 ] - [ -0.0000174100000000, -0.0001531400000000, 0.0000043100000000 ] - [ 0.0000020100000000, 0.0000031200000000, -0.0000006300000000 ] - [ 0.0000020100000000, 0.0000031200000000, 0.0000006300000000 ] - [ 0.0001429400000000, -0.0000747100000000, 0.0000610000000000 ] - [ 0.0001429400000000, -0.0000747100000000, -0.0000610000000000 ] - [ 0.0001098300000000, 0.0000180200000000, 0.0000035300000000 ] - [ 0.0001098300000000, 0.0000180200000000, -0.0000035300000000 ] - [ 0.0000619400000000, 0.0000663300000000, -0.0000006100000000 ] - [ 0.0000619400000000, 0.0000663300000000, 0.0000006100000000 ] - [ 0.0000012100000000, -0.0000036700000000, -0.0000003600000000 ] - [ 0.0000012100000000, -0.0000036700000000, 0.0000003600000000 ] - [ -0.0000611000000000, 0.0000700200000000, -0.0000006400000000 ] - [ -0.0000611000000000, 0.0000700200000000, 0.0000006400000000 ] - [ 0.0023105500000000, -0.0000001200000000, 0.0000000000000000 ] - [ 0.0013198800000000, -0.0000054400000000, 0.0000000000000000 ] - [ 0.0000652500000000, -0.0001668100000000, 0.0000000000000000 ] - [ 0.0000403000000000, -0.0001623700000000, 0.0000000000000000 ] - [ 0.0000127500000000, 0.0045401000000000, 0.0000000000000000 ] - [ 0.0000106000000000, 0.0045387400000000, 0.0000000000000000 ] - [ 0.0000001300000000, -0.0045396200000000, 0.0000000000000000 ] - [ 0.0000003600000000, -0.0045396200000000, 0.0000000000000000 ] - [ 0.0000003500000000, 0.0001612800000000, 0.0000000000000000 ] - [ 0.0000001400000000, 0.0001616200000000, 0.0000000000000000 ] - [ -0.0001009000000000, -0.0001546400000000, -0.0000007000000000 ] - [ -0.0001009000000000, -0.0001546400000000, 0.0000007000000000 ] - [ 0.0001069700000000, 0.0001554200000000, 0.0000008500000000 ] - [ 0.0001069700000000, 0.0001554200000000, -0.0000008500000000 ] - [ 0.0001024600000000, -0.0001516000000000, -0.0000002000000000 ] - [ 0.0001024600000000, -0.0001516000000000, 0.0000002000000000 ] - [ -0.0000104600000000, -0.0001786900000000, 0.0000017600000000 ] - [ -0.0000104600000000, -0.0001786900000000, -0.0000017600000000 ] - [ 0.0003578400000000, 0.0002234100000000, 0.0000652000000000 ] - [ 0.0003578400000000, 0.0002234100000000, -0.0000652000000000 ] - [ -0.0001030200000000, 0.0001460300000000, 0.0000000900000000 ] - [ -0.0001030200000000, 0.0001460300000000, -0.0000000900000000 ] - [ 0.0001171600000000, 0.0000452900000000, -0.0000029700000000 ] - [ 0.0001171600000000, 0.0000452900000000, 0.0000029700000000 ] - [ 0.0032527100000000, -0.0009736200000000, -0.0004283700000000 ] - [ 0.0032527100000000, -0.0009736200000000, 0.0004283700000000 ] - [ 0.0003554800000000, -0.0002244400000000, -0.0000669300000000 ] - [ 0.0003554800000000, -0.0002244400000000, 0.0000669300000000 ] - [ 0.0032582700000000, 0.0010777300000000, 0.0005166000000000 ] - [ 0.0032582700000000, 0.0010777300000000, -0.0005166000000000 ] - [ 0.0000008000000000, 0.0000003000000000, 0.0000000000000000 ] - [ 0.0000010400000000, 0.0000008900000000, 0.0000000000000000 ] - [ 0.0000134200000000, -0.0001611300000000, 0.0000000000000000 ] - [ 0.0000133800000000, -0.0001618700000000, 0.0000000000000000 ] - [ 0.0000282600000000, 0.0045398700000000, 0.0000000000000000 ] - [ 0.0000282700000000, 0.0045382500000000, 0.0000000000000000 ] - [ 0.0028278500000000, -0.0045320200000000, 0.0000000000000000 ] - [ 0.0016239100000000, -0.0045325700000000, 0.0000000000000000 ] - [ 0.0040504400000000, 0.0001465100000000, 0.0000000000000000 ] - [ -0.0020342000000000, 0.0001633000000000, 0.0000000000000000 ] - [ -0.0081375700000000, -0.0000247600000000, -0.0000419700000000 ] - [ -0.0081375700000000, -0.0000247600000000, 0.0000419700000000 ] - [ 0.0000921200000000, 0.0005777300000000, 0.0000019600000000 ] - [ 0.0000921200000000, 0.0005777300000000, -0.0000019600000000 ] - [ -0.0000019900000000, -0.0005804100000000, 0.0000000600000000 ] - [ -0.0000019900000000, -0.0005804100000000, -0.0000000600000000 ] - [ 0.0000026200000000, 0.0000019100000000, 0.0000002000000000 ] - [ 0.0000026200000000, 0.0000019100000000, -0.0000002000000000 ] - [ -0.0000854700000000, 0.0005815700000000, 0.0000003600000000 ] - [ -0.0000854700000000, 0.0005815700000000, -0.0000003600000000 ] - [ 0.0328853000000000, -0.0005813500000000, 0.0002828900000000 ] - [ 0.0328853000000000, -0.0005813500000000, -0.0002828900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0949312500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0095441000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0061623100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0011621500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0027495000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0010953300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0016256100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0016265400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0015254100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0015233800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0015175500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0014843500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0006005800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005700100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0007574000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0007473900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0010035200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005143700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0024132100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003859500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0013063400000000, 0.0001020900000000 ] - [ 0.0000000000000000, 0.0013063400000000, -0.0001020900000000 ] - [ 0.0000000000000000, 0.0100066200000000, 0.0000019100000000 ] - [ 0.0000000000000000, 0.0100066200000000, -0.0000019100000000 ] - [ 0.0000000000000000, 0.0014410300000000, -0.0001296000000000 ] - [ 0.0000000000000000, 0.0014410300000000, 0.0001296000000000 ] - [ 0.0000000000000000, 0.0179007900000000, -0.0213792200000000 ] - [ 0.0000000000000000, 0.0179007900000000, 0.0213792200000000 ] - [ -0.0045986900000000, 0.0117949700000000, 0.0000963800000000 ] - [ -0.0045986900000000, 0.0117949700000000, -0.0000963800000000 ] - [ 0.0012626400000000, -0.0016484200000000, -0.0011907000000000 ] - [ 0.0012626400000000, -0.0016484200000000, 0.0011907000000000 ] - [ 0.0045986900000000, 0.0117949700000000, 0.0000963800000000 ] - [ 0.0045986900000000, 0.0117949700000000, -0.0000963800000000 ] - [ 0.0012222200000000, -0.0024466800000000, -0.0000818800000000 ] - [ 0.0012222200000000, -0.0024466800000000, 0.0000818800000000 ] - [ 0.0018175700000000, -0.0027226400000000, -0.0000093300000000 ] - [ 0.0018175700000000, -0.0027226400000000, 0.0000093300000000 ] - [ -0.0012626400000000, -0.0016484200000000, -0.0011907000000000 ] - [ -0.0012626400000000, -0.0016484200000000, 0.0011907000000000 ] - [ -0.0012222200000000, -0.0024466800000000, -0.0000818800000000 ] - [ -0.0012222200000000, -0.0024466800000000, 0.0000818800000000 ] - [ 0.0014157600000000, -0.0024089000000000, -0.0000008100000000 ] - [ 0.0014157600000000, -0.0024089000000000, 0.0000008100000000 ] - [ -0.0018175700000000, -0.0027226400000000, -0.0000093300000000 ] - [ -0.0018175700000000, -0.0027226400000000, 0.0000093300000000 ] - [ -0.0014157600000000, -0.0024089000000000, -0.0000008100000000 ] - [ -0.0014157600000000, -0.0024089000000000, 0.0000008100000000 ] - [ 0.0000000000000000, 0.0061050500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0009577800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0013803500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0010851500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0032914100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0034585200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0056477400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0056472400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0009401300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0009393100000000, 0.0000000000000000 ] - [ 0.0009235600000000, -0.0024277200000000, -0.0000000800000000 ] - [ 0.0009235600000000, -0.0024277200000000, 0.0000000800000000 ] - [ 0.0011333600000000, -0.0021175000000000, 0.0000026900000000 ] - [ 0.0011333600000000, -0.0021175000000000, -0.0000026900000000 ] - [ -0.0009235600000000, -0.0024277200000000, -0.0000000800000000 ] - [ -0.0009235600000000, -0.0024277200000000, 0.0000000800000000 ] - [ 0.0012745900000000, -0.0024573600000000, 0.0000228000000000 ] - [ 0.0012745900000000, -0.0024573600000000, -0.0000228000000000 ] - [ 0.0018787200000000, -0.0023093900000000, 0.0009031400000000 ] - [ 0.0018787200000000, -0.0023093900000000, -0.0009031400000000 ] - [ -0.0011333600000000, -0.0021175000000000, 0.0000026900000000 ] - [ -0.0011333600000000, -0.0021175000000000, -0.0000026900000000 ] - [ -0.0012745900000000, -0.0024573600000000, 0.0000228000000000 ] - [ -0.0012745900000000, -0.0024573600000000, -0.0000228000000000 ] - [ -0.0051605600000000, 0.0111668100000000, 0.0007084900000000 ] - [ -0.0051605600000000, 0.0111668100000000, -0.0007084900000000 ] - [ -0.0018787200000000, -0.0023093900000000, 0.0009031400000000 ] - [ -0.0018787200000000, -0.0023093900000000, -0.0009031400000000 ] - [ 0.0051605600000000, 0.0111668100000000, 0.0007084900000000 ] - [ 0.0051605600000000, 0.0111668100000000, -0.0007084900000000 ] - [ 0.0000000000000000, -0.0012324600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0012290400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0012893200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0012743900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0032627800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0032914600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0011657200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0036913700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100148200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0072673700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0104316000000000, 0.0187658400000000 ] - [ 0.0000000000000000, 0.0104316000000000, -0.0187658400000000 ] - [ 0.0000000000000000, 0.0047341900000000, 0.0002476100000000 ] - [ 0.0000000000000000, 0.0047341900000000, -0.0002476100000000 ] - [ 0.0000000000000000, 0.0037355600000000, -0.0000008800000000 ] - [ 0.0000000000000000, 0.0037355600000000, 0.0000008800000000 ] - [ 0.0000000000000000, 0.0042196300000000, -0.0000009300000000 ] - [ 0.0000000000000000, 0.0042196300000000, 0.0000009300000000 ] - [ 0.0000000000000000, 0.0048587200000000, -0.0000139300000000 ] - [ 0.0000000000000000, 0.0048587200000000, 0.0000139300000000 ] - [ 0.0000000000000000, -0.0334908100000000, -0.0009265300000000 ] - [ 0.0000000000000000, -0.0334908100000000, 0.0009265300000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0950401100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0097212700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0061327800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0011474800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0029214200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0012829400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0014586200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0014582600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0015203300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0015163400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0016854500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0016568600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0007684300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0007380700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0005812700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0005778100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0011827100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0006843700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0022593000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005591000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100016500000000, -0.0001043500000000 ] - [ 0.0000000000000000, -0.0100016500000000, 0.0001043500000000 ] - [ 0.0000000000000000, -0.0013161800000000, -0.0000002700000000 ] - [ 0.0000000000000000, -0.0013161800000000, 0.0000002700000000 ] - [ 0.0000000000000000, -0.0101379200000000, 0.0001292700000000 ] - [ 0.0000000000000000, -0.0101379200000000, -0.0001292700000000 ] - [ 0.0000000000000000, -0.0093790200000000, 0.0216954300000000 ] - [ 0.0000000000000000, -0.0093790200000000, -0.0216954300000000 ] - [ 0.0044275500000000, -0.0119568300000000, 0.0000204600000000 ] - [ 0.0044275500000000, -0.0119568300000000, -0.0000204600000000 ] - [ -0.0010520700000000, 0.0019484000000000, 0.0011761700000000 ] - [ -0.0010520700000000, 0.0019484000000000, -0.0011761700000000 ] - [ -0.0044275500000000, -0.0119568300000000, 0.0000204600000000 ] - [ -0.0044275500000000, -0.0119568300000000, -0.0000204600000000 ] - [ -0.0013714400000000, 0.0023427500000000, 0.0000809700000000 ] - [ -0.0013714400000000, 0.0023427500000000, -0.0000809700000000 ] - [ -0.0018166000000000, 0.0027221100000000, 0.0000077400000000 ] - [ -0.0018166000000000, 0.0027221100000000, -0.0000077400000000 ] - [ 0.0010520700000000, 0.0019484000000000, 0.0011761700000000 ] - [ 0.0010520700000000, 0.0019484000000000, -0.0011761700000000 ] - [ 0.0013714400000000, 0.0023427500000000, 0.0000809700000000 ] - [ 0.0013714400000000, 0.0023427500000000, -0.0000809700000000 ] - [ -0.0012791900000000, 0.0025212800000000, -0.0000000600000000 ] - [ -0.0012791900000000, 0.0025212800000000, 0.0000000600000000 ] - [ 0.0018166000000000, 0.0027221100000000, 0.0000077400000000 ] - [ 0.0018166000000000, 0.0027221100000000, -0.0000077400000000 ] - [ 0.0012791900000000, 0.0025212800000000, -0.0000000600000000 ] - [ 0.0012791900000000, 0.0025212800000000, 0.0000000600000000 ] - [ 0.0000000000000000, -0.0053842500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0009434600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0010646400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0007747500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0057992300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0056297000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0034412900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0034416600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0012479800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0012477400000000, 0.0000000000000000 ] - [ -0.0011300800000000, 0.0021194300000000, -0.0000007900000000 ] - [ -0.0011300800000000, 0.0021194300000000, 0.0000007900000000 ] - [ -0.0009217700000000, 0.0024189400000000, -0.0000017900000000 ] - [ -0.0009217700000000, 0.0024189400000000, 0.0000017900000000 ] - [ 0.0011300800000000, 0.0021194300000000, -0.0000007900000000 ] - [ 0.0011300800000000, 0.0021194300000000, 0.0000007900000000 ] - [ -0.0014137500000000, 0.0023465900000000, -0.0000235300000000 ] - [ -0.0014137500000000, 0.0023465900000000, 0.0000235300000000 ] - [ -0.0018750500000000, 0.0023074700000000, -0.0009138800000000 ] - [ -0.0018750500000000, 0.0023074700000000, 0.0009138800000000 ] - [ 0.0009217700000000, 0.0024189400000000, -0.0000017900000000 ] - [ 0.0009217700000000, 0.0024189400000000, 0.0000017900000000 ] - [ 0.0014137500000000, 0.0023465900000000, -0.0000235300000000 ] - [ 0.0014137500000000, 0.0023465900000000, 0.0000235300000000 ] - [ 0.0052869500000000, -0.0112044100000000, -0.0006099900000000 ] - [ 0.0052869500000000, -0.0112044100000000, 0.0006099900000000 ] - [ 0.0018750500000000, 0.0023074700000000, -0.0009138800000000 ] - [ 0.0018750500000000, 0.0023074700000000, 0.0009138800000000 ] - [ -0.0052869500000000, -0.0112044100000000, -0.0006099900000000 ] - [ -0.0052869500000000, -0.0112044100000000, 0.0006099900000000 ] - [ 0.0000000000000000, 0.0012301800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0012278700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0009811300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0009648800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0058325900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0058003400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0085173800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0054108300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0097072400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0069588000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0102925300000000, -0.0184959400000000 ] - [ 0.0000000000000000, -0.0102925300000000, 0.0184959400000000 ] - [ 0.0000000000000000, -0.0036022500000000, -0.0002426300000000 ] - [ 0.0000000000000000, -0.0036022500000000, 0.0002426300000000 ] - [ 0.0000000000000000, -0.0048628500000000, -0.0000004700000000 ] - [ 0.0000000000000000, -0.0048628500000000, 0.0000004700000000 ] - [ 0.0000000000000000, -0.0042066100000000, 0.0000012000000000 ] - [ 0.0000000000000000, -0.0042066100000000, -0.0000012000000000 ] - [ 0.0000000000000000, -0.0037278600000000, 0.0000119200000000 ] - [ 0.0000000000000000, -0.0037278600000000, -0.0000119200000000 ] - [ 0.0000000000000000, 0.0323758500000000, 0.0007756200000000 ] - [ 0.0000000000000000, 0.0323758500000000, -0.0007756200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000854800000000, -0.0912784100000000 ] - [ 0.0000000000000000, 0.0000928500000000, 0.0230690300000000 ] - [ 0.0000000000000000, -0.0000252200000000, -0.0058137900000000 ] - [ 0.0000000000000000, 0.0000082900000000, 0.0046985700000000 ] - [ 0.0000000000000000, -0.0000986900000000, -0.0007709700000000 ] - [ 0.0000000000000000, -0.0000953000000000, 0.0007040000000000 ] - [ 0.0000000000000000, 0.0000871400000000, -0.0000337200000000 ] - [ 0.0000000000000000, 0.0000880300000000, 0.0000346500000000 ] - [ 0.0000000000000000, -0.0000003900000000, -0.0000694400000000 ] - [ 0.0000000000000000, 0.0000005000000000, 0.0000701600000000 ] - [ 0.0000000000000000, -0.0000878800000000, -0.0002698400000000 ] - [ 0.0000000000000000, -0.0000895400000000, 0.0002730900000000 ] - [ 0.0000000000000000, -0.0000773300000000, -0.0000817400000000 ] - [ 0.0000000000000000, -0.0000801100000000, 0.0000829000000000 ] - [ 0.0000000000000000, 0.0000830400000000, -0.0000271000000000 ] - [ 0.0000000000000000, 0.0000800000000000, 0.0000254100000000 ] - [ 0.0000000000000000, -0.0000812000000000, -0.0004371300000000 ] - [ 0.0000000000000000, -0.0000806500000000, 0.0004380900000000 ] - [ 0.0000000000000000, 0.0000884000000000, -0.0026375100000000 ] - [ 0.0000000000000000, 0.0000772200000000, 0.0021864000000000 ] - [ 0.0000000000000000, -0.0038325900000000, 0.0000000500000000 ] - [ 0.0000000000000000, -0.0048958900000000, 0.0000025900000000 ] - [ 0.0000000000000000, 0.0045254300000000, 0.0000003300000000 ] - [ 0.0000000000000000, 0.0042036800000000, 0.0000002000000000 ] - [ 0.0000000000000000, -0.0074907800000000, -0.0000231800000000 ] - [ 0.0000000000000000, -0.0012367700000000, -0.0000217800000000 ] - [ 0.0000000000000000, -0.0203173300000000, 0.0052381600000000 ] - [ 0.0000000000000000, 0.0288808200000000, 0.0052759900000000 ] - [ 0.0019474800000000, -0.0008733900000000, 0.0028317900000000 ] - [ -0.0019936000000000, 0.0007216500000000, 0.0025769000000000 ] - [ 0.0013138800000000, -0.0022236800000000, 0.0000755800000000 ] - [ -0.0011095100000000, 0.0025238100000000, 0.0000701300000000 ] - [ -0.0019474800000000, -0.0008733900000000, 0.0028317900000000 ] - [ 0.0019936000000000, 0.0007216500000000, 0.0025769000000000 ] - [ 0.0002119800000000, -0.0005922000000000, -0.0000018200000000 ] - [ -0.0003459000000000, 0.0004680600000000, -0.0000019900000000 ] - [ 0.0000804900000000, -0.0001587100000000, -0.0000001500000000 ] - [ -0.0000794800000000, 0.0001590400000000, 0.0000014300000000 ] - [ -0.0013138800000000, -0.0022236800000000, 0.0000755800000000 ] - [ 0.0011095100000000, 0.0025238100000000, 0.0000701300000000 ] - [ -0.0002119800000000, -0.0005922000000000, -0.0000018200000000 ] - [ 0.0003459000000000, 0.0004680600000000, -0.0000019900000000 ] - [ 0.0000772900000000, 0.0000258100000000, 0.0000005400000000 ] - [ 0.0000510700000000, 0.0001005900000000, 0.0000018200000000 ] - [ -0.0000804900000000, -0.0001587100000000, -0.0000001500000000 ] - [ 0.0000794800000000, 0.0001590400000000, 0.0000014300000000 ] - [ -0.0000772900000000, 0.0000258100000000, 0.0000005400000000 ] - [ -0.0000510700000000, 0.0001005900000000, 0.0000018200000000 ] - [ 0.0000000000000000, 0.0000082700000000, 0.0091543100000000 ] - [ 0.0000000000000000, -0.0000118900000000, -0.0058297100000000 ] - [ 0.0000000000000000, -0.0001584300000000, 0.0008659600000000 ] - [ 0.0000000000000000, -0.0001592500000000, -0.0008789900000000 ] - [ 0.0000000000000000, 0.0045424200000000, 0.0002523200000000 ] - [ 0.0000000000000000, 0.0045407200000000, -0.0002500000000000 ] - [ 0.0000000000000000, -0.0045413900000000, 0.0000827900000000 ] - [ 0.0000000000000000, -0.0045417200000000, -0.0000803400000000 ] - [ 0.0000000000000000, 0.0001583700000000, 0.0000374500000000 ] - [ 0.0000000000000000, 0.0001582200000000, -0.0000373100000000 ] - [ -0.0001175000000000, -0.0001186400000000, -0.0000005900000000 ] - [ -0.0000867400000000, -0.0001904800000000, 0.0000003600000000 ] - [ 0.0000132700000000, 0.0003506800000000, 0.0000008600000000 ] - [ 0.0001956300000000, -0.0000458900000000, -0.0000003000000000 ] - [ 0.0001175000000000, -0.0001186400000000, -0.0000005900000000 ] - [ 0.0000867400000000, -0.0001904800000000, 0.0000003600000000 ] - [ -0.0004128600000000, 0.0007918500000000, -0.0000022600000000 ] - [ 0.0002810600000000, -0.0009137900000000, -0.0000019400000000 ] - [ -0.0015062200000000, 0.0030605600000000, 0.0000836300000000 ] - [ 0.0015072000000000, -0.0030569700000000, 0.0000821100000000 ] - [ -0.0000132700000000, 0.0003506800000000, 0.0000008600000000 ] - [ -0.0001956300000000, -0.0000458900000000, -0.0000003000000000 ] - [ 0.0004128600000000, 0.0007918500000000, -0.0000022600000000 ] - [ -0.0002810600000000, -0.0009137900000000, -0.0000019400000000 ] - [ -0.0023903800000000, 0.0015603000000000, 0.0021095100000000 ] - [ 0.0023882700000000, -0.0015713500000000, 0.0018841300000000 ] - [ 0.0015062200000000, 0.0030605600000000, 0.0000836300000000 ] - [ -0.0015072000000000, -0.0030569700000000, 0.0000821100000000 ] - [ 0.0023903800000000, 0.0015603000000000, 0.0021095100000000 ] - [ -0.0023882700000000, -0.0015713500000000, 0.0018841300000000 ] - [ 0.0000000000000000, -0.0000000800000000, 0.0000733500000000 ] - [ 0.0000000000000000, 0.0000003500000000, -0.0000732200000000 ] - [ 0.0000000000000000, -0.0001584900000000, 0.0003260000000000 ] - [ 0.0000000000000000, -0.0001595400000000, -0.0003230400000000 ] - [ 0.0000000000000000, 0.0045420800000000, 0.0014072000000000 ] - [ 0.0000000000000000, 0.0045411700000000, -0.0013419800000000 ] - [ 0.0000000000000000, -0.0045474800000000, 0.0107833500000000 ] - [ 0.0000000000000000, -0.0045303200000000, -0.0076207600000000 ] - [ 0.0000000000000000, 0.0001628000000000, 0.0167540100000000 ] - [ 0.0000000000000000, 0.0001606400000000, -0.0104189400000000 ] - [ 0.0000000000000000, 0.0211995900000000, 0.0046764600000000 ] - [ 0.0000000000000000, -0.0210451900000000, 0.0047087700000000 ] - [ 0.0000000000000000, 0.0024616500000000, 0.0000028300000000 ] - [ 0.0000000000000000, -0.0013136300000000, 0.0000045400000000 ] - [ 0.0000000000000000, -0.0005748800000000, -0.0000004500000000 ] - [ 0.0000000000000000, -0.0005778500000000, -0.0000002800000000 ] - [ 0.0000000000000000, -0.0001625500000000, 0.0000001000000000 ] - [ 0.0000000000000000, 0.0001638500000000, -0.0000001000000000 ] - [ 0.0000000000000000, -0.0001630000000000, 0.0000004700000000 ] - [ 0.0000000000000000, 0.0013154000000000, 0.0000002900000000 ] - [ 0.0000000000000000, -0.0010303700000000, 0.0088014900000000 ] - [ 0.0000000000000000, -0.0001252200000000, 0.0088689100000000 ]- atom: 3 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0089587500000000, 0.0000324000000000, 0.0000000000000000 ] - [ 0.0013177400000000, 0.0001018000000000, 0.0000000000000000 ] - [ -0.0840309000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0037775500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0089587500000000, -0.0000324000000000, 0.0000000000000000 ] - [ 0.0013177400000000, -0.0001018000000000, 0.0000000000000000 ] - [ -0.0000004300000000, 0.0000957700000000, 0.0000000000000000 ] - [ -0.0000000300000000, 0.0000968600000000, 0.0000000000000000 ] - [ 0.0000002300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000001400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000004300000000, -0.0000957700000000, 0.0000000000000000 ] - [ -0.0000000300000000, -0.0000968600000000, 0.0000000000000000 ] - [ 0.0000081000000000, -0.0000767200000000, 0.0000000000000000 ] - [ -0.0000011600000000, -0.0000775600000000, 0.0000000000000000 ] - [ 0.0000043200000000, 0.0000813000000000, 0.0000000000000000 ] - [ 0.0000040600000000, 0.0000789500000000, 0.0000000000000000 ] - [ 0.0000043200000000, -0.0000813000000000, 0.0000000000000000 ] - [ 0.0000040600000000, -0.0000789500000000, 0.0000000000000000 ] - [ 0.0000081000000000, 0.0000767200000000, 0.0000000000000000 ] - [ -0.0000011600000000, 0.0000775600000000, 0.0000000000000000 ] - [ 0.0001669300000000, -0.0043536500000000, 0.0000021700000000 ] - [ 0.0001669300000000, -0.0043536500000000, -0.0000021700000000 ] - [ -0.0000873400000000, 0.0043531300000000, -0.0000002900000000 ] - [ -0.0000873400000000, 0.0043531300000000, 0.0000002900000000 ] - [ -0.0000873400000000, -0.0043531300000000, -0.0000002900000000 ] - [ -0.0000873400000000, -0.0043531300000000, 0.0000002900000000 ] - [ 0.0001669300000000, 0.0043536500000000, 0.0000021700000000 ] - [ 0.0001669300000000, 0.0043536500000000, -0.0000021700000000 ] - [ 0.0021142800000000, -0.0006971000000000, -0.0006038100000000 ] - [ 0.0021142800000000, -0.0006971000000000, 0.0006038100000000 ] - [ 0.0024576100000000, -0.0003628700000000, 0.0007010600000000 ] - [ 0.0024576100000000, -0.0003628700000000, -0.0007010600000000 ] - [ 0.0024576100000000, 0.0003628700000000, 0.0007010600000000 ] - [ 0.0024576100000000, 0.0003628700000000, -0.0007010600000000 ] - [ 0.0000948400000000, 0.0002445600000000, -0.0000491800000000 ] - [ 0.0000948400000000, 0.0002445600000000, 0.0000491800000000 ] - [ 0.0000615800000000, -0.0000929300000000, -0.0000048700000000 ] - [ 0.0000615800000000, -0.0000929300000000, 0.0000048700000000 ] - [ 0.0021142800000000, 0.0006971000000000, -0.0006038100000000 ] - [ 0.0021142800000000, 0.0006971000000000, 0.0006038100000000 ] - [ 0.0002225500000000, -0.0003712400000000, 0.0000451700000000 ] - [ 0.0002225500000000, -0.0003712400000000, -0.0000451700000000 ] - [ 0.0000614400000000, 0.0000701900000000, -0.0000008200000000 ] - [ 0.0000614400000000, 0.0000701900000000, 0.0000008200000000 ] - [ 0.0000619500000000, 0.0000935500000000, 0.0000035000000000 ] - [ 0.0000619500000000, 0.0000935500000000, -0.0000035000000000 ] - [ -0.0000557100000000, 0.0000618500000000, 0.0000000200000000 ] - [ -0.0000557100000000, 0.0000618500000000, -0.0000000200000000 ] - [ 0.0050660800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0020363400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0022602000000000, -0.0001577600000000, 0.0000000000000000 ] - [ 0.0012062700000000, -0.0001622000000000, 0.0000000000000000 ] - [ 0.0000461400000000, 0.0045434300000000, 0.0000000000000000 ] - [ 0.0000211800000000, 0.0045471300000000, 0.0000000000000000 ] - [ 0.0000098600000000, -0.0045471700000000, 0.0000000000000000 ] - [ 0.0000091500000000, -0.0045471800000000, 0.0000000000000000 ] - [ 0.0000007200000000, 0.0001576100000000, 0.0000000000000000 ] - [ 0.0000010300000000, 0.0001586300000000, 0.0000000000000000 ] - [ -0.0001043800000000, -0.0001521200000000, -0.0000000300000000 ] - [ -0.0001043800000000, -0.0001521200000000, 0.0000000300000000 ] - [ 0.0001058100000000, 0.0001489900000000, 0.0000005500000000 ] - [ 0.0001058100000000, 0.0001489900000000, -0.0000005500000000 ] - [ 0.0001058100000000, -0.0001489900000000, 0.0000005500000000 ] - [ 0.0001058100000000, -0.0001489900000000, -0.0000005500000000 ] - [ -0.0000557100000000, -0.0000618500000000, 0.0000000200000000 ] - [ -0.0000557100000000, -0.0000618500000000, -0.0000000200000000 ] - [ 0.0000619500000000, -0.0000935500000000, 0.0000035000000000 ] - [ 0.0000619500000000, -0.0000935500000000, -0.0000035000000000 ] - [ -0.0001043800000000, 0.0001521200000000, -0.0000000300000000 ] - [ -0.0001043800000000, 0.0001521200000000, 0.0000000300000000 ] - [ 0.0000614400000000, -0.0000701900000000, -0.0000008200000000 ] - [ 0.0000614400000000, -0.0000701900000000, 0.0000008200000000 ] - [ 0.0002225500000000, 0.0003712400000000, 0.0000451700000000 ] - [ 0.0002225500000000, 0.0003712400000000, -0.0000451700000000 ] - [ 0.0000615800000000, 0.0000929300000000, -0.0000048700000000 ] - [ 0.0000615800000000, 0.0000929300000000, 0.0000048700000000 ] - [ 0.0000948400000000, -0.0002445600000000, -0.0000491800000000 ] - [ 0.0000948400000000, -0.0002445600000000, 0.0000491800000000 ] - [ 0.0000002800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000005100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000007200000000, -0.0001576100000000, 0.0000000000000000 ] - [ 0.0000010300000000, -0.0001586300000000, 0.0000000000000000 ] - [ 0.0000098600000000, 0.0045471700000000, 0.0000000000000000 ] - [ 0.0000091500000000, 0.0045471800000000, 0.0000000000000000 ] - [ 0.0000461400000000, -0.0045434300000000, 0.0000000000000000 ] - [ 0.0000211800000000, -0.0045471300000000, 0.0000000000000000 ] - [ 0.0022602000000000, 0.0001577600000000, 0.0000000000000000 ] - [ 0.0012062700000000, 0.0001622000000000, 0.0000000000000000 ] - [ 0.0331773000000000, 0.0000000000000000, 0.0002767700000000 ] - [ 0.0331773000000000, 0.0000000000000000, -0.0002767700000000 ] - [ -0.0074188600000000, 0.0005509200000000, -0.0000384300000000 ] - [ -0.0074188600000000, 0.0005509200000000, 0.0000384300000000 ] - [ 0.0000029000000000, -0.0005775700000000, 0.0000002700000000 ] - [ 0.0000029000000000, -0.0005775700000000, -0.0000002700000000 ] - [ -0.0000014800000000, 0.0000000000000000, 0.0000000500000000 ] - [ -0.0000014800000000, 0.0000000000000000, -0.0000000500000000 ] - [ 0.0000029000000000, 0.0005775700000000, 0.0000002700000000 ] - [ 0.0000029000000000, 0.0005775700000000, -0.0000002700000000 ] - [ -0.0074188600000000, -0.0005509200000000, -0.0000384300000000 ] - [ -0.0074188600000000, -0.0005509200000000, 0.0000384300000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0062226100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0010592900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0872121300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0094783400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0060704500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0012540000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0016062800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0016035600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0014948500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0014953500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0014407100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0014355700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0010824900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004489300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0007616100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0007401200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005844000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005695100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0012460900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0006200700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0012952700000000, 0.0002159600000000 ] - [ 0.0000000000000000, 0.0012952700000000, -0.0002159600000000 ] - [ 0.0000000000000000, 0.0099365100000000, 0.0000204300000000 ] - [ 0.0000000000000000, 0.0099365100000000, -0.0000204300000000 ] - [ 0.0000000000000000, 0.0012391000000000, -0.0000207700000000 ] - [ 0.0000000000000000, 0.0012391000000000, 0.0000207700000000 ] - [ 0.0000000000000000, 0.0099929600000000, -0.0002142700000000 ] - [ 0.0000000000000000, 0.0099929600000000, 0.0002142700000000 ] - [ -0.0049561700000000, 0.0112482500000000, 0.0004177000000000 ] - [ -0.0049561700000000, 0.0112482500000000, -0.0004177000000000 ] - [ -0.0047086200000000, 0.0116848100000000, -0.0003106000000000 ] - [ -0.0047086200000000, 0.0116848100000000, 0.0003106000000000 ] - [ 0.0049561700000000, 0.0112482500000000, 0.0004177000000000 ] - [ 0.0049561700000000, 0.0112482500000000, -0.0004177000000000 ] - [ 0.0014920800000000, -0.0021063300000000, -0.0011188200000000 ] - [ 0.0014920800000000, -0.0021063300000000, 0.0011188200000000 ] - [ 0.0017860700000000, -0.0026353300000000, -0.0000367900000000 ] - [ 0.0017860700000000, -0.0026353300000000, 0.0000367900000000 ] - [ 0.0047086200000000, 0.0116848100000000, -0.0003106000000000 ] - [ 0.0047086200000000, 0.0116848100000000, 0.0003106000000000 ] - [ -0.0014920800000000, -0.0021063300000000, -0.0011188200000000 ] - [ -0.0014920800000000, -0.0021063300000000, 0.0011188200000000 ] - [ 0.0013955000000000, -0.0023660200000000, -0.0000023000000000 ] - [ 0.0013955000000000, -0.0023660200000000, 0.0000023000000000 ] - [ -0.0017860700000000, -0.0026353300000000, -0.0000367900000000 ] - [ -0.0017860700000000, -0.0026353300000000, 0.0000367900000000 ] - [ -0.0013955000000000, -0.0023660200000000, -0.0000023000000000 ] - [ -0.0013955000000000, -0.0023660200000000, 0.0000023000000000 ] - [ 0.0000000000000000, 0.0096671400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0072038400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0037406000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0008098000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0033224200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0035570000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0056601100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0056470400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0009286700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0009263000000000, 0.0000000000000000 ] - [ 0.0009045200000000, -0.0023901400000000, 0.0000001100000000 ] - [ 0.0009045200000000, -0.0023901400000000, -0.0000001100000000 ] - [ 0.0011153200000000, -0.0020865400000000, 0.0000006700000000 ] - [ 0.0011153200000000, -0.0020865400000000, -0.0000006700000000 ] - [ -0.0009045200000000, -0.0023901400000000, 0.0000001100000000 ] - [ -0.0009045200000000, -0.0023901400000000, -0.0000001100000000 ] - [ 0.0012608600000000, -0.0024791200000000, 0.0000014600000000 ] - [ 0.0012608600000000, -0.0024791200000000, -0.0000014600000000 ] - [ 0.0017847200000000, -0.0026340200000000, 0.0000351600000000 ] - [ 0.0017847200000000, -0.0026340200000000, -0.0000351600000000 ] - [ -0.0011153200000000, -0.0020865400000000, 0.0000006700000000 ] - [ -0.0011153200000000, -0.0020865400000000, -0.0000006700000000 ] - [ -0.0012608600000000, -0.0024791200000000, 0.0000014600000000 ] - [ -0.0012608600000000, -0.0024791200000000, -0.0000014600000000 ] - [ 0.0016412900000000, -0.0020049200000000, 0.0011055800000000 ] - [ 0.0016412900000000, -0.0020049200000000, -0.0011055800000000 ] - [ -0.0017847200000000, -0.0026340200000000, 0.0000351600000000 ] - [ -0.0017847200000000, -0.0026340200000000, -0.0000351600000000 ] - [ -0.0016412900000000, -0.0020049200000000, 0.0011055800000000 ] - [ -0.0016412900000000, -0.0020049200000000, -0.0011055800000000 ] - [ 0.0000000000000000, -0.0012058800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0012046600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0012353700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0012355600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0034314000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0034443800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0057642700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0055331000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0034514100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0011065900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0327636500000000, -0.0000770500000000 ] - [ 0.0000000000000000, -0.0327636500000000, 0.0000770500000000 ] - [ 0.0000000000000000, 0.0105381500000000, 0.0176881900000000 ] - [ 0.0000000000000000, 0.0105381500000000, -0.0176881900000000 ] - [ 0.0000000000000000, 0.0036653100000000, -0.0000003100000000 ] - [ 0.0000000000000000, 0.0036653100000000, 0.0000003100000000 ] - [ 0.0000000000000000, 0.0041550200000000, -0.0000000500000000 ] - [ 0.0000000000000000, 0.0041550200000000, 0.0000000500000000 ] - [ 0.0000000000000000, 0.0047975900000000, -0.0000023700000000 ] - [ 0.0000000000000000, 0.0047975900000000, 0.0000023700000000 ] - [ 0.0000000000000000, 0.0092762400000000, -0.0174284300000000 ] - [ 0.0000000000000000, 0.0092762400000000, 0.0174284300000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0001171800000000, -0.0058144700000000 ] - [ 0.0000000000000000, 0.0000823300000000, 0.0046984000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0858148800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0232108600000000 ] - [ 0.0000000000000000, -0.0001171800000000, -0.0058144700000000 ] - [ 0.0000000000000000, -0.0000823300000000, 0.0046984000000000 ] - [ 0.0000000000000000, 0.0000846000000000, -0.0000694300000000 ] - [ 0.0000000000000000, 0.0000861100000000, 0.0000704400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000333900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000336100000000 ] - [ 0.0000000000000000, -0.0000846000000000, -0.0000694300000000 ] - [ 0.0000000000000000, -0.0000861100000000, 0.0000704400000000 ] - [ 0.0000000000000000, -0.0000804800000000, -0.0003378200000000 ] - [ 0.0000000000000000, -0.0000793700000000, 0.0003396600000000 ] - [ 0.0000000000000000, 0.0000834500000000, -0.0000966700000000 ] - [ 0.0000000000000000, 0.0000817800000000, 0.0000965000000000 ] - [ 0.0000000000000000, -0.0000834500000000, -0.0000966700000000 ] - [ 0.0000000000000000, -0.0000817800000000, 0.0000965000000000 ] - [ 0.0000000000000000, 0.0000804800000000, -0.0003378200000000 ] - [ 0.0000000000000000, 0.0000793700000000, 0.0003396600000000 ] - [ 0.0000000000000000, -0.0022159600000000, -0.0000185900000000 ] - [ 0.0000000000000000, -0.0065110400000000, -0.0000163500000000 ] - [ 0.0000000000000000, 0.0050514900000000, -0.0000011700000000 ] - [ 0.0000000000000000, 0.0036753900000000, -0.0000005500000000 ] - [ 0.0000000000000000, -0.0050514900000000, -0.0000011700000000 ] - [ 0.0000000000000000, -0.0036753900000000, -0.0000005500000000 ] - [ 0.0000000000000000, 0.0022159600000000, -0.0000185900000000 ] - [ 0.0000000000000000, 0.0065110400000000, -0.0000163500000000 ] - [ -0.0018502800000000, 0.0009834800000000, 0.0023177000000000 ] - [ 0.0015014800000000, -0.0014338300000000, 0.0020815700000000 ] - [ 0.0018502800000000, -0.0009834800000000, 0.0023177000000000 ] - [ -0.0015014800000000, 0.0014338300000000, 0.0020815700000000 ] - [ 0.0018502800000000, 0.0009834800000000, 0.0023177000000000 ] - [ -0.0015014800000000, -0.0014338300000000, 0.0020815700000000 ] - [ 0.0012056700000000, -0.0023833900000000, 0.0000555700000000 ] - [ -0.0013373900000000, 0.0022503000000000, 0.0000521600000000 ] - [ 0.0003371000000000, -0.0006578000000000, 0.0000010200000000 ] - [ -0.0003372900000000, 0.0006570400000000, 0.0000020900000000 ] - [ -0.0018502800000000, -0.0009834800000000, 0.0023177000000000 ] - [ 0.0015014800000000, 0.0014338300000000, 0.0020815700000000 ] - [ -0.0012056700000000, -0.0023833900000000, 0.0000555700000000 ] - [ 0.0013373900000000, 0.0022503000000000, 0.0000521600000000 ] - [ 0.0001428800000000, -0.0001307000000000, -0.0000000400000000 ] - [ -0.0000131900000000, 0.0002598100000000, 0.0000007400000000 ] - [ -0.0003371000000000, -0.0006578000000000, 0.0000010200000000 ] - [ 0.0003372900000000, 0.0006570400000000, 0.0000020900000000 ] - [ -0.0001428800000000, -0.0001307000000000, -0.0000000400000000 ] - [ 0.0000131900000000, 0.0002598100000000, 0.0000007400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0163688700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101573700000000 ] - [ 0.0000000000000000, -0.0001490800000000, 0.0090948900000000 ] - [ 0.0000000000000000, -0.0001709400000000, -0.0058291600000000 ] - [ 0.0000000000000000, 0.0045387400000000, 0.0009882500000000 ] - [ 0.0000000000000000, 0.0045373100000000, -0.0009882200000000 ] - [ 0.0000000000000000, -0.0045378700000000, 0.0003074500000000 ] - [ 0.0000000000000000, -0.0045372800000000, -0.0003046800000000 ] - [ 0.0000000000000000, 0.0001584900000000, 0.0000806800000000 ] - [ 0.0000000000000000, 0.0001597000000000, -0.0000791200000000 ] - [ -0.0000829700000000, -0.0001953200000000, 0.0000008300000000 ] - [ -0.0001194900000000, -0.0001186200000000, -0.0000005300000000 ] - [ 0.0000829700000000, 0.0001953200000000, 0.0000008300000000 ] - [ 0.0001194900000000, 0.0001186200000000, -0.0000005300000000 ] - [ 0.0000829700000000, -0.0001953200000000, 0.0000008300000000 ] - [ 0.0001194900000000, -0.0001186200000000, -0.0000005300000000 ] - [ -0.0001428800000000, 0.0001307000000000, -0.0000000400000000 ] - [ 0.0000131900000000, -0.0002598100000000, 0.0000007400000000 ] - [ -0.0003371000000000, 0.0006578000000000, 0.0000010200000000 ] - [ 0.0003372900000000, -0.0006570400000000, 0.0000020900000000 ] - [ -0.0000829700000000, 0.0001953200000000, 0.0000008300000000 ] - [ -0.0001194900000000, 0.0001186200000000, -0.0000005300000000 ] - [ 0.0001428800000000, 0.0001307000000000, -0.0000000400000000 ] - [ -0.0000131900000000, -0.0002598100000000, 0.0000007400000000 ] - [ -0.0012056700000000, 0.0023833900000000, 0.0000555700000000 ] - [ 0.0013373900000000, -0.0022503000000000, 0.0000521600000000 ] - [ 0.0003371000000000, 0.0006578000000000, 0.0000010200000000 ] - [ -0.0003372900000000, -0.0006570400000000, 0.0000020900000000 ] - [ 0.0012056700000000, 0.0023833900000000, 0.0000555700000000 ] - [ -0.0013373900000000, -0.0022503000000000, 0.0000521600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000308200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000307200000000 ] - [ 0.0000000000000000, -0.0001584900000000, 0.0000806800000000 ] - [ 0.0000000000000000, -0.0001597000000000, -0.0000791200000000 ] - [ 0.0000000000000000, 0.0045378700000000, 0.0003074500000000 ] - [ 0.0000000000000000, 0.0045372800000000, -0.0003046800000000 ] - [ 0.0000000000000000, -0.0045387400000000, 0.0009882500000000 ] - [ 0.0000000000000000, -0.0045373100000000, -0.0009882200000000 ] - [ 0.0000000000000000, 0.0001490800000000, 0.0090948900000000 ] - [ 0.0000000000000000, 0.0001709400000000, -0.0058291600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0088592100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0089290500000000 ] - [ 0.0000000000000000, 0.0204815600000000, 0.0040615600000000 ] - [ 0.0000000000000000, -0.0191923500000000, 0.0040980200000000 ] - [ 0.0000000000000000, -0.0004107200000000, -0.0000002100000000 ] - [ 0.0000000000000000, -0.0007467700000000, 0.0000002400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000004400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000002500000000 ] - [ 0.0000000000000000, 0.0004107200000000, -0.0000002100000000 ] - [ 0.0000000000000000, 0.0007467700000000, 0.0000002400000000 ] - [ 0.0000000000000000, -0.0204815600000000, 0.0040615600000000 ] - [ 0.0000000000000000, 0.0191923500000000, 0.0040980200000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000046300000000, 0.0000963100000000, 0.0000000000000000 ] - [ 0.0000037000000000, 0.0000948700000000, 0.0000000000000000 ] - [ 0.0000073800000000, 0.0000008800000000, 0.0000000000000000 ] - [ -0.0000021700000000, 0.0000002500000000, 0.0000000000000000 ] - [ 0.0038424600000000, -0.0001249900000000, 0.0000000000000000 ] - [ 0.0005765800000000, -0.0000982100000000, 0.0000000000000000 ] - [ -0.0000047400000000, 0.0000862400000000, 0.0000000000000000 ] - [ -0.0000079800000000, 0.0000878900000000, 0.0000000000000000 ] - [ 0.0000036200000000, 0.0000030300000000, 0.0000000000000000 ] - [ 0.0000030900000000, 0.0000036900000000, 0.0000000000000000 ] - [ -0.0000010800000000, -0.0000877100000000, 0.0000000000000000 ] - [ -0.0000008500000000, -0.0000901900000000, 0.0000000000000000 ] - [ -0.0114273400000000, -0.0000707300000000, 0.0000000000000000 ] - [ -0.0005394500000000, -0.0000848900000000, 0.0000000000000000 ] - [ 0.0006884900000000, 0.0001007400000000, 0.0000000000000000 ] - [ 0.0002085900000000, 0.0000868800000000, 0.0000000000000000 ] - [ -0.0000010200000000, -0.0000873800000000, 0.0000000000000000 ] - [ -0.0000002100000000, -0.0000850900000000, 0.0000000000000000 ] - [ -0.0000010700000000, 0.0000820900000000, 0.0000000000000000 ] - [ -0.0000014400000000, 0.0000841500000000, 0.0000000000000000 ] - [ 0.0150240000000000, -0.0043447600000000, 0.0001044300000000 ] - [ 0.0150240000000000, -0.0043447600000000, -0.0001044300000000 ] - [ -0.0037365600000000, 0.0043391900000000, -0.0000136200000000 ] - [ -0.0037365600000000, 0.0043391900000000, 0.0000136200000000 ] - [ -0.0000012000000000, -0.0043504500000000, -0.0000011800000000 ] - [ -0.0000012000000000, -0.0043504500000000, 0.0000011800000000 ] - [ -0.0000002100000000, 0.0043474400000000, -0.0000007800000000 ] - [ -0.0000002100000000, 0.0043474400000000, 0.0000007800000000 ] - [ -0.0000914600000000, -0.0001808200000000, 0.0000009800000000 ] - [ -0.0000914600000000, -0.0001808200000000, -0.0000009800000000 ] - [ 0.0002183200000000, 0.0002033900000000, 0.0000560300000000 ] - [ 0.0002183200000000, 0.0002033900000000, -0.0000560300000000 ] - [ 0.0001209100000000, -0.0001181900000000, -0.0000013300000000 ] - [ 0.0001209100000000, -0.0001181900000000, 0.0000013300000000 ] - [ -0.0006864100000000, -0.0010381100000000, 0.0016952700000000 ] - [ -0.0006864100000000, -0.0010381100000000, -0.0016952700000000 ] - [ -0.0003603100000000, -0.0013384800000000, -0.0015910500000000 ] - [ -0.0003603100000000, -0.0013384800000000, 0.0015910500000000 ] - [ 0.0000040900000000, 0.0000936900000000, -0.0000569100000000 ] - [ 0.0000040900000000, 0.0000936900000000, 0.0000569100000000 ] - [ -0.0004949800000000, 0.0009432900000000, -0.0016840100000000 ] - [ -0.0004949800000000, 0.0009432900000000, 0.0016840100000000 ] - [ 0.0002132000000000, 0.0001245400000000, -0.0000567900000000 ] - [ 0.0002132000000000, 0.0001245400000000, 0.0000567900000000 ] - [ -0.0003924500000000, 0.0013270900000000, 0.0015892700000000 ] - [ -0.0003924500000000, 0.0013270900000000, -0.0015892700000000 ] - [ 0.0000813000000000, -0.0000155400000000, 0.0000568200000000 ] - [ 0.0000813000000000, -0.0000155400000000, -0.0000568200000000 ] - [ 0.0000287100000000, 0.0000017500000000, 0.0000000000000000 ] - [ 0.0000248800000000, -0.0000001700000000, 0.0000000000000000 ] - [ 0.0016391400000000, -0.0001627200000000, 0.0000000000000000 ] - [ 0.0005670100000000, -0.0001535900000000, 0.0000000000000000 ] - [ -0.0088300200000000, 0.0045501200000000, 0.0000000000000000 ] - [ -0.0011267700000000, 0.0045507000000000, 0.0000000000000000 ] - [ 0.0010753700000000, -0.0045420400000000, 0.0000000000000000 ] - [ 0.0006012600000000, -0.0045522400000000, 0.0000000000000000 ] - [ 0.0000129300000000, 0.0001528100000000, 0.0000000000000000 ] - [ 0.0000189800000000, 0.0001533300000000, 0.0000000000000000 ] - [ -0.0000938100000000, -0.0001820000000000, -0.0000004700000000 ] - [ -0.0000938100000000, -0.0001820000000000, 0.0000004700000000 ] - [ 0.0001067700000000, 0.0001505800000000, 0.0000002900000000 ] - [ 0.0001067700000000, 0.0001505800000000, -0.0000002900000000 ] - [ 0.0001177000000000, -0.0001198300000000, 0.0000003300000000 ] - [ 0.0001177000000000, -0.0001198300000000, -0.0000003300000000 ] - [ -0.0000682400000000, -0.0000543900000000, -0.0000002900000000 ] - [ -0.0000682400000000, -0.0000543900000000, 0.0000002900000000 ] - [ -0.0000010300000000, 0.0000004000000000, -0.0000007600000000 ] - [ -0.0000010300000000, 0.0000004000000000, 0.0000007600000000 ] - [ -0.0001076100000000, 0.0001477600000000, 0.0000004000000000 ] - [ -0.0001076100000000, 0.0001477600000000, -0.0000004000000000 ] - [ 0.0000671200000000, -0.0000537700000000, -0.0000005300000000 ] - [ 0.0000671200000000, -0.0000537700000000, 0.0000005300000000 ] - [ 0.0000722400000000, 0.0000511300000000, -0.0000002700000000 ] - [ 0.0000722400000000, 0.0000511300000000, 0.0000002700000000 ] - [ -0.0000001600000000, 0.0000015500000000, -0.0000009000000000 ] - [ -0.0000001600000000, 0.0000015500000000, 0.0000009000000000 ] - [ -0.0000731600000000, 0.0000485000000000, -0.0000003500000000 ] - [ -0.0000731600000000, 0.0000485000000000, 0.0000003500000000 ] - [ 0.0000022000000000, -0.0000002300000000, 0.0000000000000000 ] - [ 0.0000026900000000, -0.0000000500000000, 0.0000000000000000 ] - [ -0.0000003300000000, -0.0001533700000000, 0.0000000000000000 ] - [ -0.0000004500000000, -0.0001540600000000, 0.0000000000000000 ] - [ -0.0000006000000000, 0.0045513800000000, 0.0000000000000000 ] - [ -0.0000003400000000, 0.0045505700000000, 0.0000000000000000 ] - [ -0.0000009600000000, -0.0045500900000000, 0.0000000000000000 ] - [ -0.0000009600000000, -0.0045496100000000, 0.0000000000000000 ] - [ 0.0000026800000000, 0.0001544900000000, 0.0000000000000000 ] - [ 0.0000028700000000, 0.0001550900000000, 0.0000000000000000 ] - [ 0.0000086800000000, 0.0000005800000000, -0.0000026200000000 ] - [ 0.0000086800000000, 0.0000005800000000, 0.0000026200000000 ] - [ -0.0036208600000000, 0.0005648100000000, -0.0000176900000000 ] - [ -0.0036208600000000, 0.0005648100000000, 0.0000176900000000 ] - [ 0.0000554900000000, -0.0005558200000000, -0.0000003600000000 ] - [ 0.0000554900000000, -0.0005558200000000, 0.0000003600000000 ] - [ -0.0000227400000000, 0.0000068500000000, 0.0000000500000000 ] - [ -0.0000227400000000, 0.0000068500000000, -0.0000000500000000 ] - [ 0.0000001900000000, 0.0005572300000000, -0.0000010900000000 ] - [ 0.0000001900000000, 0.0005572300000000, 0.0000010900000000 ] - [ -0.0000235400000000, -0.0005558000000000, -0.0000009300000000 ] - [ -0.0000235400000000, -0.0005558000000000, 0.0000009300000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0007748600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0007437000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0011628800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005357300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0022361300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0005617800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0011796200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0006822500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0006742300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0006578000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005849100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005767900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0117786000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0016513400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0007361500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000280100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001955300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001964800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003744000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003686700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0223080600000000, 0.0013253700000000 ] - [ 0.0000000000000000, -0.0223080600000000, -0.0013253700000000 ] - [ 0.0000000000000000, 0.0079931400000000, 0.0069470600000000 ] - [ 0.0000000000000000, 0.0079931400000000, -0.0069470600000000 ] - [ 0.0000000000000000, -0.0019231500000000, -0.0000003200000000 ] - [ 0.0000000000000000, -0.0019231500000000, 0.0000003200000000 ] - [ 0.0000000000000000, 0.0067782200000000, -0.0000038300000000 ] - [ 0.0000000000000000, 0.0067782200000000, 0.0000038300000000 ] - [ 0.0003100800000000, -0.0010812900000000, 0.0000381100000000 ] - [ 0.0003100800000000, -0.0010812900000000, -0.0000381100000000 ] - [ 0.0006847500000000, -0.0005566700000000, 0.0005010700000000 ] - [ 0.0006847500000000, -0.0005566700000000, -0.0005010700000000 ] - [ -0.0003100800000000, -0.0010812900000000, 0.0000381100000000 ] - [ -0.0003100800000000, -0.0010812900000000, -0.0000381100000000 ] - [ -0.0040862000000000, 0.0046017100000000, 0.0018265100000000 ] - [ -0.0040862000000000, 0.0046017100000000, -0.0018265100000000 ] - [ -0.0041695700000000, 0.0035242200000000, -0.0021566000000000 ] - [ -0.0041695700000000, 0.0035242200000000, 0.0021566000000000 ] - [ -0.0006847500000000, -0.0005566700000000, 0.0005010700000000 ] - [ -0.0006847500000000, -0.0005566700000000, -0.0005010700000000 ] - [ 0.0040862000000000, 0.0046017100000000, 0.0018265100000000 ] - [ 0.0040862000000000, 0.0046017100000000, -0.0018265100000000 ] - [ 0.0006731900000000, -0.0007559600000000, -0.0003281300000000 ] - [ 0.0006731900000000, -0.0007559600000000, 0.0003281300000000 ] - [ 0.0041695700000000, 0.0035242200000000, -0.0021566000000000 ] - [ 0.0041695700000000, 0.0035242200000000, 0.0021566000000000 ] - [ -0.0006731900000000, -0.0007559600000000, -0.0003281300000000 ] - [ -0.0006731900000000, -0.0007559600000000, 0.0003281300000000 ] - [ 0.0000000000000000, -0.0005632500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004453700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0025549600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001000600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0092137300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0077421600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0085492900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0046314000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003618400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003520100000000, 0.0000000000000000 ] - [ 0.0003129500000000, -0.0010847700000000, -0.0000281000000000 ] - [ 0.0003129500000000, -0.0010847700000000, 0.0000281000000000 ] - [ 0.0005444600000000, -0.0008153600000000, -0.0000028200000000 ] - [ 0.0005444600000000, -0.0008153600000000, 0.0000028200000000 ] - [ -0.0003129500000000, -0.0010847700000000, -0.0000281000000000 ] - [ -0.0003129500000000, -0.0010847700000000, 0.0000281000000000 ] - [ 0.0005090400000000, -0.0011129100000000, -0.0000008600000000 ] - [ 0.0005090400000000, -0.0011129100000000, 0.0000008600000000 ] - [ 0.0007768800000000, -0.0011688600000000, -0.0000008700000000 ] - [ 0.0007768800000000, -0.0011688600000000, 0.0000008700000000 ] - [ -0.0005444600000000, -0.0008153600000000, -0.0000028200000000 ] - [ -0.0005444600000000, -0.0008153600000000, 0.0000028200000000 ] - [ -0.0005090400000000, -0.0011129100000000, -0.0000008600000000 ] - [ -0.0005090400000000, -0.0011129100000000, 0.0000008600000000 ] - [ 0.0006543500000000, -0.0010036400000000, 0.0000042700000000 ] - [ 0.0006543500000000, -0.0010036400000000, -0.0000042700000000 ] - [ -0.0007768800000000, -0.0011688600000000, -0.0000008700000000 ] - [ -0.0007768800000000, -0.0011688600000000, 0.0000008700000000 ] - [ -0.0006543500000000, -0.0010036400000000, 0.0000042700000000 ] - [ -0.0006543500000000, -0.0010036400000000, -0.0000042700000000 ] - [ 0.0000000000000000, -0.0006010000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0005228600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0006251800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0006248600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0040711300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0040722000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0050200200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0050165900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004029100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003108300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0017179400000000, -0.0000980100000000 ] - [ 0.0000000000000000, 0.0017179400000000, 0.0000980100000000 ] - [ 0.0000000000000000, 0.0038251000000000, -0.0081920400000000 ] - [ 0.0000000000000000, 0.0038251000000000, 0.0081920400000000 ] - [ 0.0000000000000000, 0.0011895500000000, 0.0000415500000000 ] - [ 0.0000000000000000, 0.0011895500000000, -0.0000415500000000 ] - [ 0.0000000000000000, 0.0017951300000000, 0.0000356600000000 ] - [ 0.0000000000000000, 0.0017951300000000, -0.0000356600000000 ] - [ 0.0000000000000000, 0.0024061200000000, -0.0000006600000000 ] - [ 0.0000000000000000, 0.0024061200000000, 0.0000006600000000 ] - [ 0.0000000000000000, 0.0012664500000000, -0.0000443300000000 ] - [ 0.0000000000000000, 0.0012664500000000, 0.0000443300000000 ]- atom: 13 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0005920200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0005648900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0011668600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0005334600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0024354900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003814600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0010039300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0005145900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0006685300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0006509100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0007517300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0007480500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0118688600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0014822900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0005483700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001444800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003719000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003698700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002046700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001943800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0135835600000000, -0.0013952100000000 ] - [ 0.0000000000000000, 0.0135835600000000, 0.0013952100000000 ] - [ 0.0000000000000000, 0.0007221800000000, -0.0068544600000000 ] - [ 0.0000000000000000, 0.0007221800000000, 0.0068544600000000 ] - [ 0.0000000000000000, -0.0067755200000000, -0.0000012000000000 ] - [ 0.0000000000000000, -0.0067755200000000, 0.0000012000000000 ] - [ 0.0000000000000000, 0.0019246800000000, 0.0000009600000000 ] - [ 0.0000000000000000, 0.0019246800000000, -0.0000009600000000 ] - [ -0.0005172000000000, 0.0007755600000000, -0.0000392800000000 ] - [ -0.0005172000000000, 0.0007755600000000, 0.0000392800000000 ] - [ -0.0004777600000000, 0.0008581700000000, -0.0005061100000000 ] - [ -0.0004777600000000, 0.0008581700000000, 0.0005061100000000 ] - [ 0.0005172000000000, 0.0007755600000000, -0.0000392800000000 ] - [ 0.0005172000000000, 0.0007755600000000, 0.0000392800000000 ] - [ 0.0039396300000000, -0.0047440000000000, -0.0018147400000000 ] - [ 0.0039396300000000, -0.0047440000000000, 0.0018147400000000 ] - [ 0.0041558400000000, -0.0034848400000000, 0.0021590000000000 ] - [ 0.0041558400000000, -0.0034848400000000, -0.0021590000000000 ] - [ 0.0004777600000000, 0.0008581700000000, -0.0005061100000000 ] - [ 0.0004777600000000, 0.0008581700000000, 0.0005061100000000 ] - [ -0.0039396300000000, -0.0047440000000000, -0.0018147400000000 ] - [ -0.0039396300000000, -0.0047440000000000, 0.0018147400000000 ] - [ -0.0005370100000000, 0.0008705500000000, 0.0003234000000000 ] - [ -0.0005370100000000, 0.0008705500000000, -0.0003234000000000 ] - [ -0.0041558400000000, -0.0034848400000000, 0.0021590000000000 ] - [ -0.0041558400000000, -0.0034848400000000, -0.0021590000000000 ] - [ 0.0005370100000000, 0.0008705500000000, 0.0003234000000000 ] - [ 0.0005370100000000, 0.0008705500000000, -0.0003234000000000 ] - [ 0.0000000000000000, 0.0005651500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004455600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0020653200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004172800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001171000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0013497900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0005578400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0044574700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0006688200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0006598900000000, 0.0000000000000000 ] - [ -0.0005215200000000, 0.0007789000000000, 0.0000276100000000 ] - [ -0.0005215200000000, 0.0007789000000000, -0.0000276100000000 ] - [ -0.0003340500000000, 0.0011183400000000, 0.0000036900000000 ] - [ -0.0003340500000000, 0.0011183400000000, -0.0000036900000000 ] - [ 0.0005215200000000, 0.0007789000000000, 0.0000276100000000 ] - [ 0.0005215200000000, 0.0007789000000000, -0.0000276100000000 ] - [ -0.0006452300000000, 0.0009998600000000, 0.0000000700000000 ] - [ -0.0006452300000000, 0.0009998600000000, -0.0000000700000000 ] - [ -0.0007758400000000, 0.0011688300000000, -0.0000011600000000 ] - [ -0.0007758400000000, 0.0011688300000000, 0.0000011600000000 ] - [ 0.0003340500000000, 0.0011183400000000, 0.0000036900000000 ] - [ 0.0003340500000000, 0.0011183400000000, -0.0000036900000000 ] - [ 0.0006452300000000, 0.0009998600000000, 0.0000000700000000 ] - [ 0.0006452300000000, 0.0009998600000000, -0.0000000700000000 ] - [ -0.0005081900000000, 0.0011075800000000, -0.0000053100000000 ] - [ -0.0005081900000000, 0.0011075800000000, 0.0000053100000000 ] - [ 0.0007758400000000, 0.0011688300000000, -0.0000011600000000 ] - [ 0.0007758400000000, 0.0011688300000000, 0.0000011600000000 ] - [ 0.0005081900000000, 0.0011075800000000, -0.0000053100000000 ] - [ 0.0005081900000000, 0.0011075800000000, 0.0000053100000000 ] - [ 0.0000000000000000, 0.0005976100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005219200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003167600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003150700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0050216500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0050191500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0040706500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0040726700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0007121100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0006208600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0017160800000000, 0.0000907700000000 ] - [ 0.0000000000000000, -0.0017160800000000, -0.0000907700000000 ] - [ 0.0000000000000000, -0.0027415600000000, 0.0082907800000000 ] - [ 0.0000000000000000, -0.0027415600000000, -0.0082907800000000 ] - [ 0.0000000000000000, -0.0023161200000000, -0.0000424300000000 ] - [ 0.0000000000000000, -0.0023161200000000, 0.0000424300000000 ] - [ 0.0000000000000000, -0.0017829900000000, -0.0000353900000000 ] - [ 0.0000000000000000, -0.0017829900000000, 0.0000353900000000 ] - [ 0.0000000000000000, -0.0012765700000000, -0.0000024900000000 ] - [ 0.0000000000000000, -0.0012765700000000, 0.0000024900000000 ] - [ 0.0000000000000000, -0.0023915500000000, 0.0000430500000000 ] - [ 0.0000000000000000, -0.0023915500000000, -0.0000430500000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000894700000000, -0.0000844200000000 ] - [ 0.0000000000000000, 0.0000873900000000, 0.0000838500000000 ] - [ 0.0000000000000000, 0.0000042400000000, -0.0003382700000000 ] - [ 0.0000000000000000, 0.0000030000000000, 0.0003392700000000 ] - [ 0.0000000000000000, -0.0000812800000000, -0.0026363000000000 ] - [ 0.0000000000000000, -0.0000927600000000, 0.0021857700000000 ] - [ 0.0000000000000000, 0.0000821900000000, -0.0004394400000000 ] - [ 0.0000000000000000, 0.0000816900000000, 0.0004382800000000 ] - [ 0.0000000000000000, 0.0000024700000000, -0.0000968400000000 ] - [ 0.0000000000000000, 0.0000026100000000, 0.0000952600000000 ] - [ 0.0000000000000000, -0.0000819000000000, -0.0000246700000000 ] - [ 0.0000000000000000, -0.0000845500000000, 0.0000246900000000 ] - [ 0.0000000000000000, -0.0000400100000000, -0.0098281500000000 ] - [ 0.0000000000000000, -0.0000861200000000, 0.0035893500000000 ] - [ 0.0000000000000000, 0.0000909600000000, -0.0009239200000000 ] - [ 0.0000000000000000, 0.0000885900000000, 0.0009355300000000 ] - [ 0.0000000000000000, -0.0000892100000000, -0.0000053600000000 ] - [ 0.0000000000000000, -0.0000871500000000, 0.0000051000000000 ] - [ 0.0000000000000000, 0.0000846500000000, -0.0000117900000000 ] - [ 0.0000000000000000, 0.0000880400000000, 0.0000092600000000 ] - [ 0.0000000000000000, -0.0030737600000000, 0.0032437800000000 ] - [ 0.0000000000000000, -0.0056134800000000, 0.0032846000000000 ] - [ 0.0000000000000000, 0.0137067100000000, 0.0011518600000000 ] - [ 0.0000000000000000, -0.0049830500000000, 0.0011725300000000 ] - [ 0.0000000000000000, -0.0043465300000000, -0.0000022100000000 ] - [ 0.0000000000000000, -0.0043444000000000, 0.0000010900000000 ] - [ 0.0000000000000000, 0.0042900900000000, -0.0000021300000000 ] - [ 0.0000000000000000, 0.0044016000000000, 0.0000010000000000 ] - [ -0.0002235600000000, 0.0000985700000000, -0.0000005000000000 ] - [ 0.0000116100000000, -0.0003977700000000, -0.0000003100000000 ] - [ -0.0004690600000000, 0.0012921400000000, 0.0000392400000000 ] - [ 0.0006848100000000, -0.0009951100000000, 0.0000375500000000 ] - [ 0.0002235600000000, 0.0000985700000000, -0.0000005000000000 ] - [ -0.0000116100000000, -0.0003977700000000, -0.0000003100000000 ] - [ 0.0015951800000000, 0.0023127700000000, -0.0012923000000000 ] - [ -0.0017591200000000, -0.0024333600000000, -0.0013449400000000 ] - [ -0.0008278600000000, -0.0030050700000000, -0.0014206500000000 ] - [ 0.0008272600000000, 0.0029987700000000, -0.0014431500000000 ] - [ 0.0004690600000000, 0.0012921400000000, 0.0000392400000000 ] - [ -0.0006848100000000, -0.0009951100000000, 0.0000375500000000 ] - [ -0.0015951800000000, 0.0023127700000000, -0.0012923000000000 ] - [ 0.0017591200000000, -0.0024333600000000, -0.0013449400000000 ] - [ 0.0006347000000000, -0.0013679000000000, 0.0000473600000000 ] - [ -0.0004987400000000, 0.0014817200000000, 0.0000464800000000 ] - [ 0.0008278600000000, -0.0030050700000000, -0.0014206500000000 ] - [ -0.0008272600000000, 0.0029987700000000, -0.0014431500000000 ] - [ -0.0006347000000000, -0.0013679000000000, 0.0000473600000000 ] - [ 0.0004987400000000, 0.0014817200000000, 0.0000464800000000 ] - [ 0.0000000000000000, -0.0000002200000000, 0.0003848800000000 ] - [ 0.0000000000000000, 0.0000001100000000, -0.0003788200000000 ] - [ 0.0000000000000000, -0.0001632000000000, 0.0044070500000000 ] - [ 0.0000000000000000, -0.0001558400000000, -0.0027517200000000 ] - [ 0.0000000000000000, 0.0045445800000000, 0.0081056700000000 ] - [ 0.0000000000000000, 0.0045440500000000, -0.0057695400000000 ] - [ 0.0000000000000000, -0.0045345700000000, 0.0038905600000000 ] - [ 0.0000000000000000, -0.0045448500000000, -0.0031716200000000 ] - [ 0.0000000000000000, 0.0001560100000000, 0.0005361700000000 ] - [ 0.0000000000000000, 0.0001560200000000, -0.0005307600000000 ] - [ 0.0000380500000000, -0.0004554900000000, -0.0000007000000000 ] - [ -0.0002538600000000, 0.0001579000000000, -0.0000004000000000 ] - [ 0.0001411100000000, 0.0000761600000000, -0.0000002100000000 ] - [ 0.0000826400000000, 0.0002121400000000, -0.0000005100000000 ] - [ -0.0000380500000000, -0.0004554900000000, -0.0000007000000000 ] - [ 0.0002538600000000, 0.0001579000000000, -0.0000004000000000 ] - [ -0.0000621500000000, -0.0000704600000000, -0.0000020700000000 ] - [ -0.0000797500000000, -0.0000409500000000, -0.0000004500000000 ] - [ -0.0000062100000000, 0.0000126900000000, -0.0000019600000000 ] - [ 0.0000074000000000, -0.0000139300000000, 0.0000008400000000 ] - [ -0.0001411100000000, 0.0000761600000000, -0.0000002100000000 ] - [ -0.0000826400000000, 0.0002121400000000, -0.0000005100000000 ] - [ 0.0000621500000000, -0.0000704600000000, -0.0000020700000000 ] - [ 0.0000797500000000, -0.0000409500000000, -0.0000004500000000 ] - [ 0.0000380500000000, 0.0001175300000000, -0.0000000400000000 ] - [ 0.0001046800000000, -0.0000066400000000, 0.0000008300000000 ] - [ 0.0000062100000000, 0.0000126900000000, -0.0000019600000000 ] - [ -0.0000074000000000, -0.0000139300000000, 0.0000008400000000 ] - [ -0.0000380500000000, 0.0001175300000000, -0.0000000400000000 ] - [ -0.0001046800000000, -0.0000066400000000, 0.0000008300000000 ] - [ 0.0000000000000000, 0.0000001800000000, 0.0001054800000000 ] - [ 0.0000000000000000, 0.0000001400000000, -0.0001056900000000 ] - [ 0.0000000000000000, -0.0001569400000000, 0.0000344200000000 ] - [ 0.0000000000000000, -0.0001574500000000, -0.0000346900000000 ] - [ 0.0000000000000000, 0.0045444400000000, 0.0000160300000000 ] - [ 0.0000000000000000, 0.0045434200000000, -0.0000177400000000 ] - [ 0.0000000000000000, -0.0045449500000000, 0.0000306900000000 ] - [ 0.0000000000000000, -0.0045441300000000, -0.0000307400000000 ] - [ 0.0000000000000000, 0.0001566100000000, 0.0001052300000000 ] - [ 0.0000000000000000, 0.0001571300000000, -0.0001059500000000 ] - [ 0.0000000000000000, -0.0008930200000000, -0.0000054900000000 ] - [ 0.0000000000000000, 0.0008965200000000, -0.0000017600000000 ] - [ 0.0000000000000000, -0.0092107900000000, 0.0018921300000000 ] - [ 0.0000000000000000, 0.0102825100000000, 0.0019052800000000 ] - [ 0.0000000000000000, 0.0006308800000000, -0.0000019600000000 ] - [ 0.0000000000000000, -0.0017637500000000, -0.0000001700000000 ] - [ 0.0000000000000000, 0.0002613200000000, -0.0000009800000000 ] - [ 0.0000000000000000, -0.0002526300000000, 0.0000002500000000 ] - [ 0.0000000000000000, 0.0006253700000000, -0.0000011100000000 ] - [ 0.0000000000000000, 0.0005108900000000, 0.0000016100000000 ] - [ 0.0000000000000000, -0.0007810200000000, -0.0000014400000000 ] - [ 0.0000000000000000, -0.0003537500000000, -0.0000012300000000 ]- atom: 21 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000716100000000, 0.0000903200000000, 0.0000002800000000 ] - [ -0.0000716100000000, 0.0000903200000000, -0.0000002800000000 ] - [ 0.0001672400000000, -0.0000040800000000, 0.0000044500000000 ] - [ 0.0001672400000000, -0.0000040800000000, -0.0000044500000000 ] - [ -0.0099647900000000, -0.0001147500000000, -0.0000274100000000 ] - [ -0.0099647900000000, -0.0001147500000000, 0.0000274100000000 ] - [ 0.0002399400000000, 0.0000950500000000, 0.0000048000000000 ] - [ 0.0002399400000000, 0.0000950500000000, -0.0000048000000000 ] - [ -0.0000880800000000, 0.0000015600000000, 0.0000014200000000 ] - [ -0.0000880800000000, 0.0000015600000000, -0.0000014200000000 ] - [ 0.0000046400000000, -0.0000881100000000, 0.0000025600000000 ] - [ 0.0000046400000000, -0.0000881100000000, -0.0000025600000000 ] - [ 0.0150245900000000, -0.0000959800000000, -0.0001322700000000 ] - [ 0.0150245900000000, -0.0000959800000000, 0.0001322700000000 ] - [ -0.0037350000000000, 0.0001073200000000, -0.0000252200000000 ] - [ -0.0037350000000000, 0.0001073200000000, 0.0000252200000000 ] - [ -0.0000007500000000, -0.0000811900000000, 0.0000003300000000 ] - [ -0.0000007500000000, -0.0000811900000000, -0.0000003300000000 ] - [ 0.0000015700000000, 0.0000810900000000, 0.0000001500000000 ] - [ 0.0000015700000000, 0.0000810900000000, -0.0000001500000000 ] - [ -0.1940498400000000, -0.0049364800000000, 0.0000000000000000 ] - [ -0.0052907800000000, -0.0043812700000000, 0.0000000000000000 ] - [ 0.1179835900000000, 0.0046217500000000, 0.0000000000000000 ] - [ 0.0002072100000000, 0.0043725900000000, 0.0000000000000000 ] - [ 0.0000437800000000, -0.0043651600000000, 0.0000000000000000 ] - [ 0.0000023600000000, -0.0043642100000000, 0.0000000000000000 ] - [ -0.0000468800000000, 0.0043675300000000, 0.0000000000000000 ] - [ 0.0000217600000000, 0.0043615800000000, 0.0000000000000000 ] - [ -0.0004637400000000, 0.0007316800000000, 0.0000000000000000 ] - [ -0.0002047600000000, -0.0001289700000000, 0.0000000000000000 ] - [ -0.0021343900000000, -0.0044315300000000, 0.0000000000000000 ] - [ -0.0003642300000000, 0.0016916100000000, 0.0000000000000000 ] - [ -0.0002725000000000, -0.0010639700000000, 0.0000000000000000 ] - [ 0.0000010700000000, -0.0001722000000000, 0.0000000000000000 ] - [ 0.0055923500000000, 0.0024774400000000, 0.0000000000000000 ] - [ 0.0008287800000000, -0.0005485100000000, 0.0000000000000000 ] - [ 0.0023047100000000, -0.0018856500000000, 0.0000000000000000 ] - [ 0.0014697800000000, -0.0012590100000000, 0.0000000000000000 ] - [ -0.0023672600000000, 0.0047123600000000, 0.0000000000000000 ] - [ -0.0005759800000000, -0.0013587600000000, 0.0000000000000000 ] - [ 0.0038161200000000, -0.0045014000000000, 0.0000000000000000 ] - [ 0.0009627000000000, 0.0004149500000000, 0.0000000000000000 ] - [ -0.0034455900000000, -0.0049754500000000, 0.0000000000000000 ] - [ -0.0013425300000000, 0.0016263000000000, 0.0000000000000000 ] - [ 0.0044387200000000, 0.0042042100000000, 0.0000000000000000 ] - [ 0.0014966300000000, 0.0012783300000000, 0.0000000000000000 ] - [ -0.0035380100000000, 0.0051369200000000, 0.0000000000000000 ] - [ -0.0014851100000000, -0.0015202400000000, 0.0000000000000000 ] - [ -0.0001945400000000, 0.0000059200000000, -0.0000127800000000 ] - [ -0.0001945400000000, 0.0000059200000000, 0.0000127800000000 ] - [ -0.0074113200000000, -0.0001380400000000, -0.0000175800000000 ] - [ -0.0074113200000000, -0.0001380400000000, 0.0000175800000000 ] - [ 0.0116360200000000, 0.0045626000000000, 0.0005143900000000 ] - [ 0.0116360200000000, 0.0045626000000000, -0.0005143900000000 ] - [ -0.0088873000000000, -0.0045722300000000, 0.0000048800000000 ] - [ -0.0088873000000000, -0.0045722300000000, -0.0000048800000000 ] - [ -0.0002640700000000, 0.0001563400000000, -0.0000066600000000 ] - [ -0.0002640700000000, 0.0001563400000000, 0.0000066600000000 ] - [ -0.0005377900000000, 0.0010446000000000, 0.0000000000000000 ] - [ -0.0002293500000000, -0.0001252500000000, 0.0000000000000000 ] - [ 0.0000836600000000, 0.0000685300000000, 0.0000000000000000 ] - [ 0.0000927000000000, 0.0001727300000000, 0.0000000000000000 ] - [ -0.0003413500000000, -0.0013497400000000, 0.0000000000000000 ] - [ -0.0000320700000000, -0.0001990400000000, 0.0000000000000000 ] - [ -0.0000836200000000, -0.0000498600000000, 0.0000000000000000 ] - [ -0.0000716400000000, -0.0000616000000000, 0.0000000000000000 ] - [ -0.0000136600000000, 0.0000073700000000, 0.0000000000000000 ] - [ -0.0000012200000000, 0.0000007400000000, 0.0000000000000000 ] - [ -0.0001140900000000, 0.0002513700000000, 0.0000000000000000 ] - [ -0.0001157400000000, 0.0001302500000000, 0.0000000000000000 ] - [ 0.0000524800000000, -0.0000777600000000, 0.0000000000000000 ] - [ 0.0000674400000000, -0.0000631000000000, 0.0000000000000000 ] - [ 0.0000618200000000, -0.0000236400000000, 0.0000000000000000 ] - [ 0.0000541800000000, 0.0000850300000000, 0.0000000000000000 ] - [ -0.0000147700000000, -0.0000092000000000, 0.0000000000000000 ] - [ -0.0000023100000000, -0.0000002700000000, 0.0000000000000000 ] - [ -0.0000735000000000, 0.0001506000000000, 0.0000000000000000 ] - [ -0.0000802000000000, 0.0000458600000000, 0.0000000000000000 ] - [ -0.0000663900000000, -0.0000017500000000, -0.0000057000000000 ] - [ -0.0000663900000000, -0.0000017500000000, 0.0000057000000000 ] - [ -0.0000025600000000, -0.0001616400000000, -0.0000012700000000 ] - [ -0.0000025600000000, -0.0001616400000000, 0.0000012700000000 ] - [ -0.0000010600000000, 0.0045371400000000, -0.0000011600000000 ] - [ -0.0000010600000000, 0.0045371400000000, 0.0000011600000000 ] - [ -0.0000005100000000, -0.0045368100000000, -0.0000017400000000 ] - [ -0.0000005100000000, -0.0045368100000000, 0.0000017400000000 ] - [ -0.0000485700000000, 0.0001625800000000, -0.0000043500000000 ] - [ -0.0000485700000000, 0.0001625800000000, 0.0000043500000000 ] - [ -0.0033282100000000, 0.0000272400000000, 0.0000000000000000 ] - [ 0.0018364400000000, -0.0000143600000000, 0.0000000000000000 ] - [ 0.0870266700000000, 0.0004481700000000, 0.0000000000000000 ] - [ 0.0003103400000000, 0.0005751700000000, 0.0000000000000000 ] - [ -0.0044459500000000, -0.0005979900000000, 0.0000000000000000 ] - [ 0.0020034500000000, -0.0005608400000000, 0.0000000000000000 ] - [ 0.0008735400000000, -0.0000043300000000, 0.0000000000000000 ] - [ 0.0000601100000000, 0.0000096500000000, 0.0000000000000000 ] - [ -0.0000452700000000, 0.0005730800000000, 0.0000000000000000 ] - [ 0.0000227800000000, 0.0005802800000000, 0.0000000000000000 ] - [ 0.0006849700000000, -0.0005662100000000, 0.0000000000000000 ] - [ 0.0000372800000000, -0.0005825500000000, 0.0000000000000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0057408200000000, 0.0005274600000000 ] - [ 0.0000000000000000, 0.0057408200000000, -0.0005274600000000 ] - [ 0.0000000000000000, 0.0056400600000000, 0.0021417400000000 ] - [ 0.0000000000000000, 0.0056400600000000, -0.0021417400000000 ] - [ 0.0000000000000000, 0.0134403600000000, 0.0244543600000000 ] - [ 0.0000000000000000, 0.0134403600000000, -0.0244543600000000 ] - [ 0.0000000000000000, 0.0058726200000000, -0.0031335800000000 ] - [ 0.0000000000000000, 0.0058726200000000, 0.0031335800000000 ] - [ 0.0000000000000000, 0.0055845700000000, -0.0006885400000000 ] - [ 0.0000000000000000, 0.0055845700000000, 0.0006885400000000 ] - [ 0.0000000000000000, 0.0055697600000000, -0.0001613800000000 ] - [ 0.0000000000000000, 0.0055697600000000, 0.0001613800000000 ] - [ 0.0000000000000000, -0.0180118800000000, 0.0012644700000000 ] - [ 0.0000000000000000, -0.0180118800000000, -0.0012644700000000 ] - [ 0.0000000000000000, 0.0037463200000000, -0.0093886700000000 ] - [ 0.0000000000000000, 0.0037463200000000, 0.0093886700000000 ] - [ 0.0000000000000000, 0.0023492700000000, -0.0000021000000000 ] - [ 0.0000000000000000, 0.0023492700000000, 0.0000021000000000 ] - [ 0.0000000000000000, 0.0025034400000000, 0.0000561100000000 ] - [ 0.0000000000000000, 0.0025034400000000, -0.0000561100000000 ] - [ 0.0000000000000000, -0.3306197000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0690978800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0866579800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0258990800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0167747000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0162192700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0256555500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0247373100000000, 0.0000000000000000 ] - [ 0.0044165700000000, -0.0102729400000000, 0.0000000000000000 ] - [ 0.0028638800000000, -0.0069202600000000, 0.0000000000000000 ] - [ 0.0074139400000000, -0.0159793600000000, 0.0000000000000000 ] - [ 0.0004330800000000, -0.0016921100000000, 0.0000000000000000 ] - [ -0.0044165700000000, -0.0102729400000000, 0.0000000000000000 ] - [ -0.0028638800000000, -0.0069202600000000, 0.0000000000000000 ] - [ -0.0286491400000000, 0.0443478200000000, 0.0000000000000000 ] - [ -0.0133596100000000, 0.0236976400000000, 0.0000000000000000 ] - [ -0.0418499200000000, 0.0548821000000000, 0.0000000000000000 ] - [ -0.0190720800000000, 0.0267561900000000, 0.0000000000000000 ] - [ -0.0074139400000000, -0.0159793600000000, 0.0000000000000000 ] - [ -0.0004330800000000, -0.0016921100000000, 0.0000000000000000 ] - [ 0.0286491400000000, 0.0443478200000000, 0.0000000000000000 ] - [ 0.0133596100000000, 0.0236976400000000, 0.0000000000000000 ] - [ 0.0090244800000000, -0.0193555500000000, 0.0000000000000000 ] - [ 0.0007480400000000, 0.0007954500000000, 0.0000000000000000 ] - [ 0.0418499200000000, 0.0548821000000000, 0.0000000000000000 ] - [ 0.0190720800000000, 0.0267561900000000, 0.0000000000000000 ] - [ -0.0090244800000000, -0.0193555500000000, 0.0000000000000000 ] - [ -0.0007480400000000, 0.0007954500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0040773100000000, -0.0024921400000000 ] - [ 0.0000000000000000, -0.0040773100000000, 0.0024921400000000 ] - [ 0.0000000000000000, -0.0043935000000000, -0.0220434700000000 ] - [ 0.0000000000000000, -0.0043935000000000, 0.0220434700000000 ] - [ 0.0000000000000000, 0.0311533900000000, 0.0024263300000000 ] - [ 0.0000000000000000, 0.0311533900000000, -0.0024263300000000 ] - [ 0.0000000000000000, -0.0089251700000000, 0.0298136400000000 ] - [ 0.0000000000000000, -0.0089251700000000, -0.0298136400000000 ] - [ 0.0000000000000000, -0.0039387900000000, 0.0038413300000000 ] - [ 0.0000000000000000, -0.0039387900000000, -0.0038413300000000 ] - [ 0.0046748000000000, -0.0107659300000000, 0.0000000000000000 ] - [ 0.0026195100000000, -0.0063291100000000, 0.0000000000000000 ] - [ 0.0041221600000000, -0.0087710800000000, 0.0000000000000000 ] - [ 0.0036320400000000, -0.0076876500000000, 0.0000000000000000 ] - [ -0.0046748000000000, -0.0107659300000000, 0.0000000000000000 ] - [ -0.0026195100000000, -0.0063291100000000, 0.0000000000000000 ] - [ 0.0049906600000000, -0.0093448600000000, 0.0000000000000000 ] - [ 0.0048298600000000, -0.0089970300000000, 0.0000000000000000 ] - [ 0.0067425500000000, -0.0102180400000000, 0.0000000000000000 ] - [ 0.0065814700000000, -0.0098779800000000, 0.0000000000000000 ] - [ -0.0041221600000000, -0.0087710800000000, 0.0000000000000000 ] - [ -0.0036320400000000, -0.0076876500000000, 0.0000000000000000 ] - [ -0.0049906600000000, -0.0093448600000000, 0.0000000000000000 ] - [ -0.0048298600000000, -0.0089970300000000, 0.0000000000000000 ] - [ 0.0052093100000000, -0.0094363300000000, 0.0000000000000000 ] - [ 0.0048028500000000, -0.0086103500000000, 0.0000000000000000 ] - [ -0.0067425500000000, -0.0102180400000000, 0.0000000000000000 ] - [ -0.0065814700000000, -0.0098779800000000, 0.0000000000000000 ] - [ -0.0052093100000000, -0.0094363300000000, 0.0000000000000000 ] - [ -0.0048028500000000, -0.0086103500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0045051700000000, 0.0007860500000000 ] - [ 0.0000000000000000, -0.0045051700000000, -0.0007860500000000 ] - [ 0.0000000000000000, -0.0041946700000000, 0.0001955100000000 ] - [ 0.0000000000000000, -0.0041946700000000, -0.0001955100000000 ] - [ 0.0000000000000000, 0.0005067100000000, 0.0000024400000000 ] - [ 0.0000000000000000, 0.0005067100000000, -0.0000024400000000 ] - [ 0.0000000000000000, -0.0086003700000000, -0.0001693200000000 ] - [ 0.0000000000000000, -0.0086003700000000, 0.0001693200000000 ] - [ 0.0000000000000000, -0.0038640000000000, -0.0006329000000000 ] - [ 0.0000000000000000, -0.0038640000000000, 0.0006329000000000 ] - [ 0.0000000000000000, 0.0219935400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100204100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0625712400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0201876300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0243428300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0067384500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0174079900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0136545100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0169108300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0159050800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0167120700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0138683000000000, 0.0000000000000000 ]- atom: 21 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0055516200000000, -0.0005334500000000 ] - [ 0.0000000000000000, -0.0055516200000000, 0.0005334500000000 ] - [ 0.0000000000000000, -0.0056498500000000, -0.0021507900000000 ] - [ 0.0000000000000000, -0.0056498500000000, 0.0021507900000000 ] - [ 0.0000000000000000, -0.0138623400000000, -0.0247417100000000 ] - [ 0.0000000000000000, -0.0138623400000000, 0.0247417100000000 ] - [ 0.0000000000000000, -0.0056857900000000, 0.0031213700000000 ] - [ 0.0000000000000000, -0.0056857900000000, -0.0031213700000000 ] - [ 0.0000000000000000, -0.0055883100000000, 0.0006873000000000 ] - [ 0.0000000000000000, -0.0055883100000000, -0.0006873000000000 ] - [ 0.0000000000000000, -0.0057620700000000, 0.0001625500000000 ] - [ 0.0000000000000000, -0.0057620700000000, -0.0001625500000000 ] - [ 0.0000000000000000, 0.0178746400000000, -0.0012781300000000 ] - [ 0.0000000000000000, 0.0178746400000000, 0.0012781300000000 ] - [ 0.0000000000000000, -0.0035207400000000, 0.0092996600000000 ] - [ 0.0000000000000000, -0.0035207400000000, -0.0092996600000000 ] - [ 0.0000000000000000, -0.0025094500000000, 0.0000019500000000 ] - [ 0.0000000000000000, -0.0025094500000000, -0.0000019500000000 ] - [ 0.0000000000000000, -0.0023477600000000, -0.0000566600000000 ] - [ 0.0000000000000000, -0.0023477600000000, 0.0000566600000000 ] - [ 0.0000000000000000, 0.3217466500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0604419500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0775532600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0344967400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0255044500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0249511200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0169666600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0160457800000000, 0.0000000000000000 ] - [ -0.0046208700000000, 0.0099811900000000, 0.0000000000000000 ] - [ -0.0030716700000000, 0.0066280400000000, 0.0000000000000000 ] - [ -0.0071970900000000, 0.0163094900000000, 0.0000000000000000 ] - [ -0.0001982400000000, 0.0019715700000000, 0.0000000000000000 ] - [ 0.0046208700000000, 0.0099811900000000, 0.0000000000000000 ] - [ 0.0030716700000000, 0.0066280400000000, 0.0000000000000000 ] - [ 0.0310276000000000, -0.0465323500000000, 0.0000000000000000 ] - [ 0.0133256800000000, -0.0239597100000000, 0.0000000000000000 ] - [ 0.0389988100000000, -0.0528092200000000, 0.0000000000000000 ] - [ 0.0189926100000000, -0.0266814900000000, 0.0000000000000000 ] - [ 0.0071970900000000, 0.0163094900000000, 0.0000000000000000 ] - [ 0.0001982400000000, 0.0019715700000000, 0.0000000000000000 ] - [ -0.0310276000000000, -0.0465323500000000, 0.0000000000000000 ] - [ -0.0133256800000000, -0.0239597100000000, 0.0000000000000000 ] - [ -0.0089505000000000, 0.0194879300000000, 0.0000000000000000 ] - [ -0.0006714600000000, -0.0006111900000000, 0.0000000000000000 ] - [ -0.0389988100000000, -0.0528092200000000, 0.0000000000000000 ] - [ -0.0189926100000000, -0.0266814900000000, 0.0000000000000000 ] - [ 0.0089505000000000, 0.0194879300000000, 0.0000000000000000 ] - [ 0.0006714600000000, -0.0006111900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0040828000000000, 0.0024905100000000 ] - [ 0.0000000000000000, 0.0040828000000000, -0.0024905100000000 ] - [ 0.0000000000000000, 0.0040847800000000, 0.0220993600000000 ] - [ 0.0000000000000000, 0.0040847800000000, -0.0220993600000000 ] - [ 0.0000000000000000, -0.0219514300000000, -0.0015551100000000 ] - [ 0.0000000000000000, -0.0219514300000000, 0.0015551100000000 ] - [ 0.0000000000000000, -0.0002077800000000, -0.0297502800000000 ] - [ 0.0000000000000000, -0.0002077800000000, 0.0297502800000000 ] - [ 0.0000000000000000, 0.0042694100000000, -0.0038314400000000 ] - [ 0.0000000000000000, 0.0042694100000000, 0.0038314400000000 ] - [ -0.0048793800000000, 0.0104669300000000, 0.0000000000000000 ] - [ -0.0028340900000000, 0.0060439500000000, 0.0000000000000000 ] - [ -0.0039206100000000, 0.0090784300000000, 0.0000000000000000 ] - [ -0.0034221300000000, 0.0079885300000000, 0.0000000000000000 ] - [ 0.0048793800000000, 0.0104669300000000, 0.0000000000000000 ] - [ 0.0028340900000000, 0.0060439500000000, 0.0000000000000000 ] - [ -0.0051037500000000, 0.0092044500000000, 0.0000000000000000 ] - [ -0.0049457700000000, 0.0088603500000000, 0.0000000000000000 ] - [ -0.0067475000000000, 0.0102272000000000, 0.0000000000000000 ] - [ -0.0065866900000000, 0.0098867200000000, 0.0000000000000000 ] - [ 0.0039206100000000, 0.0090784300000000, 0.0000000000000000 ] - [ 0.0034221300000000, 0.0079885300000000, 0.0000000000000000 ] - [ 0.0051037500000000, 0.0092044500000000, 0.0000000000000000 ] - [ 0.0049457700000000, 0.0088603500000000, 0.0000000000000000 ] - [ -0.0051050500000000, 0.0095953800000000, 0.0000000000000000 ] - [ -0.0047002500000000, 0.0087686000000000, 0.0000000000000000 ] - [ 0.0067475000000000, 0.0102272000000000, 0.0000000000000000 ] - [ 0.0065866900000000, 0.0098867200000000, 0.0000000000000000 ] - [ 0.0051050500000000, 0.0095953800000000, 0.0000000000000000 ] - [ 0.0047002500000000, 0.0087686000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0045094700000000, -0.0007929300000000 ] - [ 0.0000000000000000, 0.0045094700000000, 0.0007929300000000 ] - [ 0.0000000000000000, 0.0038699900000000, -0.0001942600000000 ] - [ 0.0000000000000000, 0.0038699900000000, 0.0001942600000000 ] - [ 0.0000000000000000, 0.0085924200000000, -0.0000036100000000 ] - [ 0.0000000000000000, 0.0085924200000000, 0.0000036100000000 ] - [ 0.0000000000000000, -0.0004903700000000, 0.0001688500000000 ] - [ 0.0000000000000000, -0.0004903700000000, -0.0001688500000000 ] - [ 0.0000000000000000, 0.0041991600000000, 0.0006299200000000 ] - [ 0.0000000000000000, 0.0041991600000000, -0.0006299200000000 ] - [ 0.0000000000000000, -0.0220174300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100166500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0616681400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0214630400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0254853100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0079258200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0174195700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0136702100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0157751500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0147703100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0178737200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0150247000000000, 0.0000000000000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0001908800000000, -0.0000025900000000 ] - [ 0.0000000000000000, -0.0000167300000000, 0.0000054500000000 ] - [ 0.0000000000000000, 0.0002163800000000, -0.0000249800000000 ] - [ 0.0000000000000000, -0.0002124400000000, -0.0000091500000000 ] - [ 0.0000000000000000, 0.0213081800000000, 0.0052414700000000 ] - [ 0.0000000000000000, -0.0217636500000000, 0.0052724100000000 ] - [ 0.0000000000000000, -0.0000504000000000, -0.0000278700000000 ] - [ 0.0000000000000000, 0.0002107000000000, -0.0000158800000000 ] - [ 0.0000000000000000, -0.0000240100000000, -0.0000024800000000 ] - [ 0.0000000000000000, 0.0000165200000000, 0.0000007500000000 ] - [ 0.0000000000000000, -0.0000900700000000, 0.0000005600000000 ] - [ 0.0000000000000000, -0.0000895300000000, -0.0000003100000000 ] - [ 0.0000000000000000, 0.0012713900000000, 0.0032654700000000 ] - [ 0.0000000000000000, -0.0014489700000000, 0.0032663100000000 ] - [ 0.0000000000000000, -0.0067666500000000, 0.0011621000000000 ] - [ 0.0000000000000000, 0.0070328200000000, 0.0011621900000000 ] - [ 0.0000000000000000, -0.0000817200000000, 0.0000005400000000 ] - [ 0.0000000000000000, -0.0000820800000000, 0.0000007000000000 ] - [ 0.0000000000000000, 0.0000805200000000, -0.0000009400000000 ] - [ 0.0000000000000000, 0.0000771800000000, -0.0000002600000000 ] - [ 0.0000000000000000, -0.0040311000000000, -0.2284480800000000 ] - [ 0.0000000000000000, -0.0043420900000000, 0.2209604100000000 ] - [ 0.0000000000000000, 0.0042379800000000, -0.0029069100000000 ] - [ 0.0000000000000000, 0.0043858800000000, 0.0040174000000000 ] - [ 0.0000000000000000, -0.0043721200000000, 0.0000007800000000 ] - [ 0.0000000000000000, -0.0043720100000000, 0.0000029200000000 ] - [ 0.0000000000000000, 0.0043487700000000, -0.0000247500000000 ] - [ 0.0000000000000000, 0.0043509600000000, 0.0000306000000000 ] - [ -0.0001049000000000, -0.0001480300000000, 0.0000913300000000 ] - [ -0.0001023900000000, -0.0001524600000000, -0.0001282300000000 ] - [ 0.0000911100000000, 0.0001723900000000, 0.0011891400000000 ] - [ 0.0001192900000000, 0.0001441900000000, -0.0014486400000000 ] - [ 0.0001049000000000, -0.0001480300000000, 0.0000913300000000 ] - [ 0.0001023900000000, -0.0001524600000000, -0.0001282300000000 ] - [ -0.0003828400000000, 0.0002877800000000, 0.0150554300000000 ] - [ -0.0000194500000000, -0.0001056600000000, -0.0192830500000000 ] - [ 0.0003706000000000, -0.0003654600000000, 0.0115195300000000 ] - [ -0.0000315800000000, 0.0000216300000000, -0.0180087200000000 ] - [ -0.0000911100000000, 0.0001723900000000, 0.0011891400000000 ] - [ -0.0001192900000000, 0.0001441900000000, -0.0014486400000000 ] - [ 0.0003828400000000, 0.0002877800000000, 0.0150554300000000 ] - [ 0.0000194500000000, -0.0001056600000000, -0.0192830500000000 ] - [ 0.0000804400000000, 0.0000479800000000, 0.0002936500000000 ] - [ 0.0000491700000000, 0.0000711400000000, -0.0006034300000000 ] - [ -0.0003706000000000, -0.0003654600000000, 0.0115195300000000 ] - [ 0.0000315800000000, 0.0000216300000000, -0.0180087200000000 ] - [ -0.0000804400000000, 0.0000479800000000, 0.0002936500000000 ] - [ -0.0000491700000000, 0.0000711400000000, -0.0006034300000000 ] - [ 0.0000000000000000, -0.0014497800000000, -0.0000636100000000 ] - [ 0.0000000000000000, 0.0014698200000000, -0.0000738200000000 ] - [ 0.0000000000000000, -0.0005012000000000, -0.0013946900000000 ] - [ 0.0000000000000000, 0.0001131400000000, -0.0013436300000000 ] - [ 0.0000000000000000, 0.0043816600000000, 0.0041235600000000 ] - [ 0.0000000000000000, 0.0045987400000000, 0.0111650100000000 ] - [ 0.0000000000000000, -0.0046715700000000, -0.0014513100000000 ] - [ 0.0000000000000000, -0.0043544900000000, -0.0013732800000000 ] - [ 0.0000000000000000, 0.0003477400000000, -0.0001017100000000 ] - [ 0.0000000000000000, -0.0000256600000000, -0.0001170800000000 ] - [ -0.0001000700000000, -0.0001549900000000, 0.0000015600000000 ] - [ -0.0001059700000000, -0.0001478000000000, -0.0000443100000000 ] - [ 0.0001009900000000, 0.0001578400000000, 0.0000008800000000 ] - [ 0.0001018600000000, 0.0001569800000000, -0.0000055500000000 ] - [ 0.0001000700000000, -0.0001549900000000, 0.0000015600000000 ] - [ 0.0001059700000000, -0.0001478000000000, -0.0000443100000000 ] - [ -0.0000661300000000, -0.0000559000000000, -0.0000011000000000 ] - [ -0.0000675700000000, -0.0000544400000000, -0.0000015300000000 ] - [ -0.0000036500000000, 0.0000057300000000, 0.0000005100000000 ] - [ -0.0000032300000000, 0.0000055500000000, -0.0000022400000000 ] - [ -0.0001009900000000, 0.0001578400000000, 0.0000008800000000 ] - [ -0.0001018600000000, 0.0001569800000000, -0.0000055500000000 ] - [ 0.0000661300000000, -0.0000559000000000, -0.0000011000000000 ] - [ 0.0000675700000000, -0.0000544400000000, -0.0000015300000000 ] - [ 0.0000610800000000, 0.0000669900000000, 0.0000133800000000 ] - [ 0.0000623200000000, 0.0000649000000000, -0.0000169300000000 ] - [ 0.0000036500000000, 0.0000057300000000, 0.0000005100000000 ] - [ 0.0000032300000000, 0.0000055500000000, -0.0000022400000000 ] - [ -0.0000610800000000, 0.0000669900000000, 0.0000133800000000 ] - [ -0.0000623200000000, 0.0000649000000000, -0.0000169300000000 ] - [ 0.0000000000000000, 0.0000086900000000, -0.0000100400000000 ] - [ 0.0000000000000000, -0.0000032700000000, -0.0000085700000000 ] - [ 0.0000000000000000, -0.0001506400000000, -0.0000020000000000 ] - [ 0.0000000000000000, -0.0001580600000000, -0.0000006300000000 ] - [ 0.0000000000000000, 0.0045471700000000, -0.0000017400000000 ] - [ 0.0000000000000000, 0.0045454100000000, -0.0000007800000000 ] - [ 0.0000000000000000, -0.0045626100000000, -0.0000008800000000 ] - [ 0.0000000000000000, -0.0045196500000000, -0.0000003200000000 ] - [ 0.0000000000000000, 0.0001516500000000, -0.0000113600000000 ] - [ 0.0000000000000000, 0.0001669900000000, -0.0000095900000000 ] - [ 0.0000000000000000, -0.0000159200000000, -0.0012147400000000 ] - [ 0.0000000000000000, 0.0000118800000000, 0.0013983500000000 ] - [ 0.0000000000000000, 0.0006720700000000, -0.0037075900000000 ] - [ 0.0000000000000000, 0.0005956600000000, 0.0038281800000000 ] - [ 0.0000000000000000, -0.0005762000000000, -0.0002336800000000 ] - [ 0.0000000000000000, -0.0006005000000000, 0.0003893800000000 ] - [ 0.0000000000000000, -0.0000046000000000, 0.0000011500000000 ] - [ 0.0000000000000000, -0.0000099000000000, 0.0000200000000000 ] - [ 0.0000000000000000, 0.0005703800000000, -0.0000006000000000 ] - [ 0.0000000000000000, 0.0005707600000000, 0.0000065700000000 ] - [ 0.0000000000000000, -0.0005860500000000, -0.0000159500000000 ] - [ 0.0000000000000000, -0.0005829400000000, 0.0000361700000000 ]- atom: 29 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0026818300000000, -0.0044752300000000, 0.0018745000000000 ] - [ 0.0026818300000000, -0.0044752300000000, -0.0018745000000000 ] - [ 0.0023522600000000, -0.0047730900000000, -0.0017626200000000 ] - [ 0.0023522600000000, -0.0047730900000000, 0.0017626200000000 ] - [ 0.0002381600000000, 0.0010597600000000, -0.0012078400000000 ] - [ 0.0002381600000000, 0.0010597600000000, 0.0012078400000000 ] - [ 0.0000015700000000, 0.0011177700000000, -0.0000185000000000 ] - [ 0.0000015700000000, 0.0011177700000000, 0.0000185000000000 ] - [ -0.0000001600000000, 0.0010084300000000, 0.0000144400000000 ] - [ -0.0000001600000000, 0.0010084300000000, -0.0000144400000000 ] - [ 0.0000023500000000, 0.0009314200000000, 0.0000893600000000 ] - [ 0.0000023500000000, 0.0009314200000000, -0.0000893600000000 ] - [ 0.0000157600000000, 0.0003352100000000, -0.0001227600000000 ] - [ 0.0000157600000000, 0.0003352100000000, 0.0001227600000000 ] - [ 0.0000001900000000, 0.0005203200000000, -0.0000335200000000 ] - [ 0.0000001900000000, 0.0005203200000000, 0.0000335200000000 ] - [ 0.0000125400000000, 0.0003368200000000, 0.0001434300000000 ] - [ 0.0000125400000000, 0.0003368200000000, -0.0001434300000000 ] - [ 0.0001128300000000, 0.0006596500000000, 0.0005758400000000 ] - [ 0.0001128300000000, 0.0006596500000000, -0.0005758400000000 ] - [ -0.0003712900000000, 0.0001588200000000, 0.0000000000000000 ] - [ -0.0001012300000000, -0.0013852500000000, 0.0000000000000000 ] - [ -0.0000149700000000, 0.0083779800000000, 0.0000000000000000 ] - [ -0.0000119400000000, 0.0078860200000000, 0.0000000000000000 ] - [ -0.0004355500000000, 0.0004253900000000, 0.0000000000000000 ] - [ -0.0001312700000000, -0.0016330500000000, 0.0000000000000000 ] - [ -0.0022860600000000, 0.0116788900000000, 0.0000000000000000 ] - [ -0.0004673200000000, 0.0046590800000000, 0.0000000000000000 ] - [ -0.0946538800000000, 0.0336228300000000, 0.0000000000000000 ] - [ -0.0071234000000000, 0.0077060400000000, 0.0000000000000000 ] - [ 0.0147666300000000, -0.0102455700000000, 0.0000000000000000 ] - [ 0.0026875300000000, 0.0013229900000000, 0.0000000000000000 ] - [ 0.0617917900000000, 0.0188128800000000, 0.0000000000000000 ] - [ 0.0052077100000000, 0.0055440300000000, 0.0000000000000000 ] - [ 0.0020590700000000, -0.0029840500000000, 0.0000000000000000 ] - [ 0.0003912700000000, -0.0009844400000000, 0.0000000000000000 ] - [ 0.0014122000000000, -0.0020675700000000, 0.0000000000000000 ] - [ 0.0011037200000000, -0.0015949900000000, 0.0000000000000000 ] - [ -0.0046162900000000, -0.0030550500000000, 0.0000000000000000 ] - [ -0.0007502500000000, 0.0016501100000000, 0.0000000000000000 ] - [ -0.0009792900000000, -0.0021170400000000, 0.0000000000000000 ] - [ -0.0002935700000000, -0.0008395100000000, 0.0000000000000000 ] - [ 0.0010036700000000, -0.0016620600000000, 0.0000000000000000 ] - [ 0.0009313400000000, -0.0015110300000000, 0.0000000000000000 ] - [ -0.0013127000000000, -0.0020466900000000, 0.0000000000000000 ] - [ -0.0010771500000000, -0.0015773900000000, 0.0000000000000000 ] - [ -0.0009810200000000, -0.0016494500000000, 0.0000000000000000 ] - [ -0.0009281200000000, -0.0015066200000000, 0.0000000000000000 ] - [ 0.0046174100000000, -0.0038173500000000, 0.0158987800000000 ] - [ 0.0046174100000000, -0.0038173500000000, -0.0158987800000000 ] - [ 0.0002519400000000, -0.0001127300000000, 0.0017222400000000 ] - [ 0.0002519400000000, -0.0001127300000000, -0.0017222400000000 ] - [ 0.0000381200000000, 0.0037781800000000, 0.0003850600000000 ] - [ 0.0000381200000000, 0.0037781800000000, -0.0003850600000000 ] - [ 0.0000018000000000, -0.0052775800000000, 0.0001093300000000 ] - [ 0.0000018000000000, -0.0052775800000000, -0.0001093300000000 ] - [ 0.0000002400000000, -0.0005738700000000, 0.0000192700000000 ] - [ 0.0000002400000000, -0.0005738700000000, -0.0000192700000000 ] - [ 0.0006040300000000, -0.0017045400000000, 0.0000000000000000 ] - [ 0.0005661900000000, -0.0016366200000000, 0.0000000000000000 ] - [ 0.0008311000000000, -0.0014372400000000, 0.0000000000000000 ] - [ 0.0007589800000000, -0.0012966300000000, 0.0000000000000000 ] - [ -0.0005950900000000, -0.0017078400000000, 0.0000000000000000 ] - [ -0.0005652300000000, -0.0016358200000000, 0.0000000000000000 ] - [ 0.0010506400000000, -0.0020259200000000, 0.0000000000000000 ] - [ 0.0007333700000000, -0.0014315000000000, 0.0000000000000000 ] - [ 0.0027693100000000, -0.0034398600000000, 0.0000000000000000 ] - [ 0.0007718500000000, -0.0009355500000000, 0.0000000000000000 ] - [ -0.0008076100000000, -0.0014260000000000, 0.0000000000000000 ] - [ -0.0007554300000000, -0.0012927400000000, 0.0000000000000000 ] - [ -0.0009221600000000, -0.0019791500000000, 0.0000000000000000 ] - [ -0.0007065100000000, -0.0014127800000000, 0.0000000000000000 ] - [ 0.0152304900000000, -0.0098750300000000, 0.0000000000000000 ] - [ 0.0028609500000000, 0.0009336600000000, 0.0000000000000000 ] - [ -0.0013412200000000, -0.0023627800000000, 0.0000000000000000 ] - [ -0.0005870500000000, -0.0007346200000000, 0.0000000000000000 ] - [ -0.0049631000000000, -0.0035794500000000, 0.0000000000000000 ] - [ -0.0007874300000000, 0.0013127600000000, 0.0000000000000000 ] - [ 0.0000007800000000, -0.0008147700000000, -0.0000241500000000 ] - [ 0.0000007800000000, -0.0008147700000000, 0.0000241500000000 ] - [ 0.0000041500000000, -0.0008878400000000, -0.0001098900000000 ] - [ 0.0000041500000000, -0.0008878400000000, 0.0001098900000000 ] - [ 0.0000327800000000, 0.0038121500000000, -0.0004824700000000 ] - [ 0.0000327800000000, 0.0038121500000000, 0.0004824700000000 ] - [ 0.0002705200000000, -0.0045721600000000, -0.0018835500000000 ] - [ 0.0002705200000000, -0.0045721600000000, 0.0018835500000000 ] - [ 0.0046754600000000, -0.0036993900000000, -0.0164802800000000 ] - [ 0.0046754600000000, -0.0036993900000000, 0.0164802800000000 ] - [ -0.0080124100000000, -0.0032580300000000, 0.0000000000000000 ] - [ 0.0003917200000000, -0.0074031100000000, 0.0000000000000000 ] - [ -0.0021250800000000, 0.0070229300000000, 0.0000000000000000 ] - [ -0.0003732100000000, 0.0003465400000000, 0.0000000000000000 ] - [ -0.0000133100000000, 0.0023669500000000, 0.0000000000000000 ] - [ -0.0000028300000000, 0.0022154100000000, 0.0000000000000000 ] - [ -0.0000140400000000, 0.0028818400000000, 0.0000000000000000 ] - [ -0.0000018200000000, 0.0027371400000000, 0.0000000000000000 ] - [ -0.0000251500000000, 0.0036887400000000, 0.0000000000000000 ] - [ -0.0000138600000000, 0.0031883400000000, 0.0000000000000000 ] - [ -0.0096619800000000, -0.0026005500000000, 0.0000000000000000 ] - [ 0.0002651600000000, -0.0076152900000000, 0.0000000000000000 ]- atom: 29 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0028175700000000, 0.0045427500000000, -0.0020612600000000 ] - [ -0.0028175700000000, 0.0045427500000000, 0.0020612600000000 ] - [ -0.0022196200000000, 0.0048895100000000, 0.0015909300000000 ] - [ -0.0022196200000000, 0.0048895100000000, -0.0015909300000000 ] - [ -0.0002441200000000, -0.0012516400000000, 0.0012150600000000 ] - [ -0.0002441200000000, -0.0012516400000000, -0.0012150600000000 ] - [ -0.0000005700000000, -0.0009364300000000, 0.0000150400000000 ] - [ -0.0000005700000000, -0.0009364300000000, -0.0000150400000000 ] - [ -0.0000009500000000, -0.0010086800000000, -0.0000180100000000 ] - [ -0.0000009500000000, -0.0010086800000000, 0.0000180100000000 ] - [ -0.0000015100000000, -0.0011146900000000, -0.0000870300000000 ] - [ -0.0000015100000000, -0.0011146900000000, 0.0000870300000000 ] - [ -0.0000155400000000, -0.0004921100000000, 0.0001235000000000 ] - [ -0.0000155400000000, -0.0004921100000000, -0.0001235000000000 ] - [ -0.0000000700000000, -0.0003600400000000, 0.0000338300000000 ] - [ -0.0000000700000000, -0.0003600400000000, -0.0000338300000000 ] - [ -0.0000129100000000, -0.0004964500000000, -0.0001424100000000 ] - [ -0.0000129100000000, -0.0004964500000000, 0.0001424100000000 ] - [ -0.0001111000000000, -0.0005003200000000, -0.0005723500000000 ] - [ -0.0001111000000000, -0.0005003200000000, 0.0005723500000000 ] - [ 0.0003656100000000, -0.0088762300000000, 0.0000000000000000 ] - [ 0.0001020300000000, -0.0073241200000000, 0.0000000000000000 ] - [ 0.0000162300000000, 0.0003374300000000, 0.0000000000000000 ] - [ 0.0000118700000000, 0.0008342500000000, 0.0000000000000000 ] - [ 0.0004434500000000, -0.0091326500000000, 0.0000000000000000 ] - [ 0.0001306200000000, -0.0070887900000000, 0.0000000000000000 ] - [ 0.0022183800000000, -0.0029247900000000, 0.0000000000000000 ] - [ 0.0004731400000000, 0.0040350600000000, 0.0000000000000000 ] - [ 0.0945688900000000, -0.0340443600000000, 0.0000000000000000 ] - [ 0.0069130400000000, -0.0080067000000000, 0.0000000000000000 ] - [ -0.0147545800000000, 0.0106660600000000, 0.0000000000000000 ] - [ -0.0024905300000000, -0.0010442200000000, 0.0000000000000000 ] - [ -0.0616024200000000, -0.0191227700000000, 0.0000000000000000 ] - [ -0.0049984500000000, -0.0058450700000000, 0.0000000000000000 ] - [ -0.0021898700000000, 0.0028548900000000, 0.0000000000000000 ] - [ -0.0005194600000000, 0.0008551700000000, 0.0000000000000000 ] - [ -0.0014109200000000, 0.0020692700000000, 0.0000000000000000 ] - [ -0.0011018600000000, 0.0015925200000000, 0.0000000000000000 ] - [ 0.0044826500000000, 0.0032556400000000, 0.0000000000000000 ] - [ 0.0005449700000000, -0.0013611300000000, 0.0000000000000000 ] - [ 0.0011107800000000, 0.0019992100000000, 0.0000000000000000 ] - [ 0.0004219700000000, 0.0007077300000000, 0.0000000000000000 ] - [ -0.0008791200000000, 0.0017887200000000, 0.0000000000000000 ] - [ -0.0008044700000000, 0.0016362700000000, 0.0000000000000000 ] - [ 0.0013111400000000, 0.0020474700000000, 0.0000000000000000 ] - [ 0.0010758000000000, 0.0015749400000000, 0.0000000000000000 ] - [ 0.0008564100000000, 0.0017775200000000, 0.0000000000000000 ] - [ 0.0008010000000000, 0.0016333600000000, 0.0000000000000000 ] - [ -0.0045651500000000, 0.0038099900000000, -0.0160000300000000 ] - [ -0.0045651500000000, 0.0038099900000000, 0.0160000300000000 ] - [ -0.0002529700000000, -0.0002117100000000, -0.0017335400000000 ] - [ -0.0002529700000000, -0.0002117100000000, 0.0017335400000000 ] - [ -0.0000379400000000, 0.0053101600000000, -0.0003882600000000 ] - [ -0.0000379400000000, 0.0053101600000000, 0.0003882600000000 ] - [ -0.0000021100000000, -0.0038108600000000, -0.0001105300000000 ] - [ -0.0000021100000000, -0.0038108600000000, 0.0001105300000000 ] - [ -0.0000009400000000, 0.0008908700000000, -0.0000199100000000 ] - [ -0.0000009400000000, 0.0008908700000000, 0.0000199100000000 ] - [ -0.0008016200000000, 0.0013913200000000, 0.0000000000000000 ] - [ -0.0007723000000000, 0.0013328300000000, 0.0000000000000000 ] - [ -0.0006281600000000, 0.0017448500000000, 0.0000000000000000 ] - [ -0.0005467600000000, 0.0015948300000000, 0.0000000000000000 ] - [ 0.0007926400000000, 0.0013945200000000, 0.0000000000000000 ] - [ 0.0007720700000000, 0.0013320700000000, 0.0000000000000000 ] - [ -0.0011755100000000, 0.0018956500000000, 0.0000000000000000 ] - [ -0.0008651900000000, 0.0013114100000000, 0.0000000000000000 ] - [ -0.0027649400000000, 0.0034397500000000, 0.0000000000000000 ] - [ -0.0007732100000000, 0.0009405200000000, 0.0000000000000000 ] - [ 0.0006058500000000, 0.0017332700000000, 0.0000000000000000 ] - [ 0.0005438600000000, 0.0015915100000000, 0.0000000000000000 ] - [ 0.0010481300000000, 0.0018509800000000, 0.0000000000000000 ] - [ 0.0008378400000000, 0.0012912500000000, 0.0000000000000000 ] - [ -0.0149048900000000, 0.0098893400000000, 0.0000000000000000 ] - [ -0.0027244100000000, -0.0007861900000000, 0.0000000000000000 ] - [ 0.0013347500000000, 0.0023482100000000, 0.0000000000000000 ] - [ 0.0005893000000000, 0.0007421400000000, 0.0000000000000000 ] - [ 0.0047780900000000, 0.0038228400000000, 0.0000000000000000 ] - [ 0.0006587800000000, -0.0011738700000000, 0.0000000000000000 ] - [ -0.0000003400000000, 0.0008145000000000, 0.0000130300000000 ] - [ -0.0000003400000000, 0.0008145000000000, -0.0000130300000000 ] - [ -0.0000042100000000, 0.0005696600000000, 0.0001107400000000 ] - [ -0.0000042100000000, 0.0005696600000000, -0.0001107400000000 ] - [ -0.0000321500000000, 0.0052767900000000, 0.0004788900000000 ] - [ -0.0000321500000000, 0.0052767900000000, -0.0004788900000000 ] - [ -0.0002667100000000, -0.0045120900000000, 0.0018684300000000 ] - [ -0.0002667100000000, -0.0045120900000000, -0.0018684300000000 ] - [ -0.0047231100000000, 0.0040209000000000, 0.0163664300000000 ] - [ -0.0047231100000000, 0.0040209000000000, -0.0163664300000000 ] - [ 0.0066290800000000, 0.0047657500000000, 0.0000000000000000 ] - [ -0.0003888800000000, 0.0074066400000000, 0.0000000000000000 ] - [ 0.0021739400000000, -0.0059100500000000, 0.0000000000000000 ] - [ 0.0003667400000000, 0.0008292400000000, 0.0000000000000000 ] - [ 0.0000136500000000, -0.0035244900000000, 0.0000000000000000 ] - [ 0.0000022400000000, -0.0033743500000000, 0.0000000000000000 ] - [ 0.0000130200000000, -0.0028773200000000, 0.0000000000000000 ] - [ 0.0000022800000000, -0.0027345900000000, 0.0000000000000000 ] - [ 0.0000252500000000, -0.0025269600000000, 0.0000000000000000 ] - [ 0.0000137300000000, -0.0020276000000000, 0.0000000000000000 ] - [ 0.0109346900000000, 0.0000791800000000, 0.0000000000000000 ] - [ -0.0002672400000000, 0.0064524000000000, 0.0000000000000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005510300000000, 0.0118885900000000, -0.0008936000000000 ] - [ -0.0005510300000000, 0.0118885900000000, 0.0008936000000000 ] - [ -0.0004781300000000, 0.0115437000000000, 0.0011185700000000 ] - [ -0.0004781300000000, 0.0115437000000000, -0.0011185700000000 ] - [ 0.0002290100000000, -0.0018866200000000, 0.0023875600000000 ] - [ 0.0002290100000000, -0.0018866200000000, -0.0023875600000000 ] - [ -0.0000014900000000, -0.0021825900000000, 0.0000369800000000 ] - [ -0.0000014900000000, -0.0021825900000000, -0.0000369800000000 ] - [ -0.0000019100000000, -0.0022367100000000, -0.0000367300000000 ] - [ -0.0000019100000000, -0.0022367100000000, 0.0000367300000000 ] - [ 0.0000050200000000, -0.0023543800000000, -0.0001939100000000 ] - [ 0.0000050200000000, -0.0023543800000000, 0.0001939100000000 ] - [ -0.0000313200000000, -0.0010048400000000, 0.0002549100000000 ] - [ -0.0000313200000000, -0.0010048400000000, -0.0002549100000000 ] - [ 0.0000016400000000, -0.0008893700000000, 0.0000727300000000 ] - [ 0.0000016400000000, -0.0008893700000000, -0.0000727300000000 ] - [ -0.0000308800000000, -0.0010102100000000, -0.0003017300000000 ] - [ -0.0000308800000000, -0.0010102100000000, 0.0003017300000000 ] - [ 0.0000537200000000, -0.0006324500000000, -0.0011349900000000 ] - [ 0.0000537200000000, -0.0006324500000000, 0.0011349900000000 ] - [ 0.0009030000000000, -0.0144911300000000, 0.0000000000000000 ] - [ 0.0000213600000000, -0.0111218700000000, 0.0000000000000000 ] - [ -0.0000922300000000, -0.0045674900000000, 0.0000000000000000 ] - [ 0.0000212200000000, -0.0034738400000000, 0.0000000000000000 ] - [ 0.0011906400000000, -0.0149590800000000, 0.0000000000000000 ] - [ 0.0000367500000000, -0.0105572900000000, 0.0000000000000000 ] - [ -0.0045334300000000, -0.0117367900000000, 0.0000000000000000 ] - [ 0.0015271200000000, 0.0024900300000000, 0.0000000000000000 ] - [ 0.0337792400000000, -0.1093425800000000, 0.0000000000000000 ] - [ 0.0077500900000000, -0.0156430500000000, 0.0000000000000000 ] - [ -0.0103832000000000, 0.0110918600000000, 0.0000000000000000 ] - [ 0.0012890600000000, -0.0009786300000000, 0.0000000000000000 ] - [ -0.0188588500000000, -0.0274673300000000, 0.0000000000000000 ] - [ -0.0055890800000000, -0.0141209500000000, 0.0000000000000000 ] - [ -0.0035212400000000, 0.0067823200000000, 0.0000000000000000 ] - [ -0.0012285800000000, 0.0021253800000000, 0.0000000000000000 ] - [ -0.0029249800000000, 0.0045039000000000, 0.0000000000000000 ] - [ -0.0024361300000000, 0.0035746700000000, 0.0000000000000000 ] - [ 0.0030978300000000, 0.0234622100000000, 0.0000000000000000 ] - [ -0.0016139000000000, -0.0029996500000000, 0.0000000000000000 ] - [ 0.0024115300000000, 0.0043367400000000, 0.0000000000000000 ] - [ 0.0010967600000000, 0.0021419900000000, 0.0000000000000000 ] - [ -0.0020052100000000, 0.0039148100000000, 0.0000000000000000 ] - [ -0.0018686900000000, 0.0035642600000000, 0.0000000000000000 ] - [ 0.0029278000000000, 0.0046459000000000, 0.0000000000000000 ] - [ 0.0023997900000000, 0.0035353200000000, 0.0000000000000000 ] - [ 0.0019938900000000, 0.0038722700000000, 0.0000000000000000 ] - [ 0.0018658000000000, 0.0035635500000000, 0.0000000000000000 ] - [ -0.0063227300000000, -0.0014368300000000, -0.0171111600000000 ] - [ -0.0063227300000000, -0.0014368300000000, 0.0171111600000000 ] - [ -0.0001274700000000, 0.0006087400000000, -0.0028752900000000 ] - [ -0.0001274700000000, 0.0006087400000000, 0.0028752900000000 ] - [ -0.0000595300000000, 0.0060826400000000, -0.0007783400000000 ] - [ -0.0000595300000000, 0.0060826400000000, 0.0007783400000000 ] - [ 0.0000003200000000, -0.0029289800000000, -0.0002330500000000 ] - [ 0.0000003200000000, -0.0029289800000000, 0.0002330500000000 ] - [ -0.0000012800000000, 0.0017785600000000, -0.0000447700000000 ] - [ -0.0000012800000000, 0.0017785600000000, 0.0000447700000000 ] - [ -0.0016489200000000, 0.0032889100000000, 0.0000000000000000 ] - [ -0.0015902900000000, 0.0031460100000000, 0.0000000000000000 ] - [ -0.0014878200000000, 0.0037012500000000, 0.0000000000000000 ] - [ -0.0013371100000000, 0.0033579000000000, 0.0000000000000000 ] - [ 0.0016518200000000, 0.0032952200000000, 0.0000000000000000 ] - [ 0.0015898400000000, 0.0031443000000000, 0.0000000000000000 ] - [ -0.0023290700000000, 0.0041533800000000, 0.0000000000000000 ] - [ -0.0018170700000000, 0.0030158200000000, 0.0000000000000000 ] - [ -0.0045988400000000, 0.0078731500000000, 0.0000000000000000 ] - [ -0.0016704100000000, 0.0021569800000000, 0.0000000000000000 ] - [ 0.0014768800000000, 0.0036595300000000, 0.0000000000000000 ] - [ 0.0013337000000000, 0.0033573400000000, 0.0000000000000000 ] - [ 0.0022744800000000, 0.0043154900000000, 0.0000000000000000 ] - [ 0.0017836400000000, 0.0029737300000000, 0.0000000000000000 ] - [ -0.0101550400000000, 0.0101268400000000, 0.0000000000000000 ] - [ 0.0009206200000000, -0.0005178600000000, 0.0000000000000000 ] - [ 0.0029907700000000, 0.0050233900000000, 0.0000000000000000 ] - [ 0.0015028300000000, 0.0021299700000000, 0.0000000000000000 ] - [ 0.0044961500000000, 0.0243698700000000, 0.0000000000000000 ] - [ -0.0016200100000000, -0.0028182500000000, 0.0000000000000000 ] - [ -0.0000007900000000, 0.0018042900000000, 0.0000342200000000 ] - [ -0.0000007900000000, 0.0018042900000000, -0.0000342200000000 ] - [ -0.0000024100000000, 0.0014500600000000, 0.0002384700000000 ] - [ -0.0000024100000000, 0.0014500600000000, -0.0002384700000000 ] - [ -0.0000593200000000, 0.0061283600000000, 0.0009736700000000 ] - [ -0.0000593200000000, 0.0061283600000000, -0.0009736700000000 ] - [ -0.0000353700000000, -0.0037469300000000, 0.0033728300000000 ] - [ -0.0000353700000000, -0.0037469300000000, -0.0033728300000000 ] - [ -0.0062392800000000, -0.0011314400000000, 0.0172063900000000 ] - [ -0.0062392800000000, -0.0011314400000000, -0.0172063900000000 ] - [ 0.0145082500000000, 0.0244506900000000, 0.0000000000000000 ] - [ -0.0010403500000000, 0.0180389900000000, 0.0000000000000000 ] - [ -0.0032458500000000, -0.0126054700000000, 0.0000000000000000 ] - [ 0.0012012200000000, -0.0003219700000000, 0.0000000000000000 ] - [ 0.0000113200000000, -0.0071194400000000, 0.0000000000000000 ] - [ 0.0000014700000000, -0.0067737100000000, 0.0000000000000000 ] - [ 0.0000100300000000, -0.0064046300000000, 0.0000000000000000 ] - [ 0.0000013700000000, -0.0060732800000000, 0.0000000000000000 ] - [ -0.0000741600000000, -0.0063398100000000, 0.0000000000000000 ] - [ 0.0000214000000000, -0.0052311300000000, 0.0000000000000000 ] - [ 0.0177904100000000, 0.0200328000000000, 0.0000000000000000 ] - [ -0.0009011100000000, 0.0167611800000000, 0.0000000000000000 ]- atom: 29 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004430900000000, -0.0118568700000000, 0.0006967200000000 ] - [ 0.0004430900000000, -0.0118568700000000, -0.0006967200000000 ] - [ 0.0005826800000000, -0.0113877100000000, -0.0013050800000000 ] - [ 0.0005826800000000, -0.0113877100000000, 0.0013050800000000 ] - [ -0.0002239600000000, 0.0017076200000000, -0.0023628300000000 ] - [ -0.0002239600000000, 0.0017076200000000, 0.0023628300000000 ] - [ 0.0000020600000000, 0.0023654600000000, -0.0000384900000000 ] - [ 0.0000020600000000, 0.0023654600000000, 0.0000384900000000 ] - [ 0.0000007400000000, 0.0022364100000000, 0.0000347400000000 ] - [ 0.0000007400000000, 0.0022364100000000, -0.0000347400000000 ] - [ -0.0000038100000000, 0.0021720400000000, 0.0001973900000000 ] - [ -0.0000038100000000, 0.0021720400000000, -0.0001973900000000 ] - [ 0.0000311900000000, 0.0008485400000000, -0.0002519100000000 ] - [ 0.0000311900000000, 0.0008485400000000, 0.0002519100000000 ] - [ -0.0000014100000000, 0.0010489300000000, -0.0000718300000000 ] - [ -0.0000014100000000, 0.0010489300000000, 0.0000718300000000 ] - [ 0.0000310100000000, 0.0008502300000000, 0.0003054300000000 ] - [ 0.0000310100000000, 0.0008502300000000, -0.0003054300000000 ] - [ -0.0000559900000000, 0.0007826100000000, 0.0011468600000000 ] - [ -0.0000559900000000, 0.0007826100000000, -0.0011468600000000 ] - [ -0.0008941800000000, 0.0057558700000000, 0.0000000000000000 ] - [ -0.0000217700000000, 0.0024266900000000, 0.0000000000000000 ] - [ 0.0000911700000000, 0.0132819700000000, 0.0000000000000000 ] - [ -0.0000211500000000, 0.0122027200000000, 0.0000000000000000 ] - [ -0.0012041200000000, 0.0062744000000000, 0.0000000000000000 ] - [ -0.0000367100000000, 0.0018146400000000, 0.0000000000000000 ] - [ 0.0046111000000000, 0.0205507800000000, 0.0000000000000000 ] - [ -0.0015231900000000, 0.0061502500000000, 0.0000000000000000 ] - [ -0.0338889300000000, 0.1089893700000000, 0.0000000000000000 ] - [ -0.0079601000000000, 0.0153425800000000, 0.0000000000000000 ] - [ 0.0105252500000000, -0.0106822100000000, 0.0000000000000000 ] - [ -0.0010807800000000, 0.0012369000000000, 0.0000000000000000 ] - [ 0.0190714600000000, 0.0271640000000000, 0.0000000000000000 ] - [ 0.0057977300000000, 0.0138201600000000, 0.0000000000000000 ] - [ 0.0033899000000000, -0.0068753900000000, 0.0000000000000000 ] - [ 0.0011142400000000, -0.0022712100000000, 0.0000000000000000 ] - [ 0.0029252200000000, -0.0045001400000000, 0.0000000000000000 ] - [ 0.0024402400000000, -0.0035814100000000, 0.0000000000000000 ] - [ -0.0032126100000000, -0.0227301900000000, 0.0000000000000000 ] - [ 0.0014000800000000, 0.0032619200000000, 0.0000000000000000 ] - [ -0.0022885100000000, -0.0044586700000000, 0.0000000000000000 ] - [ -0.0009821500000000, -0.0022873100000000, 0.0000000000000000 ] - [ 0.0021241300000000, -0.0037823900000000, 0.0000000000000000 ] - [ 0.0019913100000000, -0.0034375700000000, 0.0000000000000000 ] - [ -0.0029260600000000, -0.0046382000000000, 0.0000000000000000 ] - [ -0.0024034400000000, -0.0035423400000000, 0.0000000000000000 ] - [ -0.0021131800000000, -0.0037395200000000, 0.0000000000000000 ] - [ -0.0019883700000000, -0.0034353700000000, 0.0000000000000000 ] - [ 0.0063167500000000, 0.0013565300000000, 0.0170304700000000 ] - [ 0.0063167500000000, 0.0013565300000000, -0.0170304700000000 ] - [ 0.0001298100000000, -0.0009424900000000, 0.0028452800000000 ] - [ 0.0001298100000000, -0.0009424900000000, -0.0028452800000000 ] - [ 0.0000591500000000, 0.0030073100000000, 0.0007683200000000 ] - [ 0.0000591500000000, 0.0030073100000000, -0.0007683200000000 ] - [ -0.0000005600000000, -0.0061649300000000, 0.0002294600000000 ] - [ -0.0000005600000000, -0.0061649300000000, -0.0002294600000000 ] - [ 0.0000008200000000, -0.0014627100000000, 0.0000438900000000 ] - [ 0.0000008200000000, -0.0014627100000000, -0.0000438900000000 ] - [ 0.0014480100000000, -0.0036000600000000, 0.0000000000000000 ] - [ 0.0013805900000000, -0.0034481300000000, 0.0000000000000000 ] - [ 0.0016936600000000, -0.0033981500000000, 0.0000000000000000 ] - [ 0.0015522600000000, -0.0030616400000000, 0.0000000000000000 ] - [ -0.0014512000000000, -0.0036070000000000, 0.0000000000000000 ] - [ -0.0013793300000000, -0.0034464100000000, 0.0000000000000000 ] - [ 0.0022131900000000, -0.0042925700000000, 0.0000000000000000 ] - [ 0.0016893400000000, -0.0031353100000000, 0.0000000000000000 ] - [ 0.0046170800000000, -0.0079234700000000, 0.0000000000000000 ] - [ 0.0016592500000000, -0.0021370900000000, 0.0000000000000000 ] - [ -0.0016815400000000, -0.0033560300000000, 0.0000000000000000 ] - [ -0.0015480600000000, -0.0030605200000000, 0.0000000000000000 ] - [ -0.0021582900000000, -0.0044582200000000, 0.0000000000000000 ] - [ -0.0016556700000000, -0.0030937300000000, 0.0000000000000000 ] - [ 0.0103325400000000, -0.0100903400000000, 0.0000000000000000 ] - [ -0.0008069500000000, 0.0006911300000000, 0.0000000000000000 ] - [ -0.0029937400000000, -0.0050413000000000, 0.0000000000000000 ] - [ -0.0014922000000000, -0.0021090200000000, 0.0000000000000000 ] - [ -0.0047176400000000, -0.0246905000000000, 0.0000000000000000 ] - [ 0.0015118500000000, 0.0029905300000000, 0.0000000000000000 ] - [ 0.0000012200000000, -0.0018050400000000, -0.0000466000000000 ] - [ 0.0000012200000000, -0.0018050400000000, 0.0000466000000000 ] - [ 0.0000020700000000, -0.0017666900000000, -0.0002386500000000 ] - [ 0.0000020700000000, -0.0017666900000000, 0.0002386500000000 ] - [ 0.0000606400000000, 0.0029668400000000, -0.0009867000000000 ] - [ 0.0000606400000000, 0.0029668400000000, 0.0009867000000000 ] - [ 0.0000326700000000, -0.0053323100000000, -0.0034132200000000 ] - [ 0.0000326700000000, -0.0053323100000000, 0.0034132200000000 ] - [ 0.0062497900000000, 0.0015266100000000, -0.0172937700000000 ] - [ 0.0062497900000000, 0.0015266100000000, 0.0172937700000000 ] - [ -0.0161083100000000, -0.0230235500000000, 0.0000000000000000 ] - [ 0.0010471400000000, -0.0179982200000000, 0.0000000000000000 ] - [ 0.0031816400000000, 0.0136804900000000, 0.0000000000000000 ] - [ -0.0012058400000000, 0.0015330600000000, 0.0000000000000000 ] - [ -0.0000105500000000, 0.0059666700000000, 0.0000000000000000 ] - [ -0.0000020200000000, 0.0056227100000000, 0.0000000000000000 ] - [ -0.0000112300000000, 0.0064092600000000, 0.0000000000000000 ] - [ -0.0000008200000000, 0.0060754200000000, 0.0000000000000000 ] - [ 0.0000764300000000, 0.0075037900000000, 0.0000000000000000 ] - [ -0.0000215100000000, 0.0063814500000000, 0.0000000000000000 ] - [ -0.0163043800000000, -0.0225386600000000, 0.0000000000000000 ] - [ 0.0008938400000000, -0.0179556400000000, 0.0000000000000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0008270700000000, 0.0000502300000000, 0.0025826700000000 ] - [ -0.0009874200000000, -0.0000269000000000, 0.0028251500000000 ] - [ -0.0005782000000000, 0.0004366700000000, 0.0020907800000000 ] - [ 0.0007258000000000, -0.0002911100000000, 0.0023083200000000 ] - [ 0.0000602900000000, 0.0010855400000000, 0.0000614900000000 ] - [ -0.0000636900000000, -0.0012795900000000, 0.0000833500000000 ] - [ 0.0000004400000000, 0.0000866500000000, -0.0000002500000000 ] - [ 0.0000002000000000, 0.0000861600000000, 0.0000006900000000 ] - [ -0.0000005900000000, -0.0000009200000000, -0.0000001000000000 ] - [ 0.0000003100000000, 0.0000002900000000, 0.0000001000000000 ] - [ -0.0000001000000000, -0.0000887300000000, -0.0000011800000000 ] - [ 0.0000003900000000, -0.0000857400000000, 0.0000008500000000 ] - [ 0.0000010600000000, -0.0000379800000000, -0.0000002600000000 ] - [ -0.0000008900000000, -0.0001173300000000, 0.0000015800000000 ] - [ 0.0000000200000000, 0.0000830400000000, -0.0000010900000000 ] - [ 0.0000001100000000, 0.0000762800000000, -0.0000006600000000 ] - [ -0.0000003400000000, -0.0001049100000000, -0.0000009600000000 ] - [ 0.0000001100000000, -0.0000495000000000, 0.0000018200000000 ] - [ -0.0000558100000000, -0.0004239100000000, 0.0000319100000000 ] - [ 0.0000574000000000, 0.0005840700000000, 0.0000437300000000 ] - [ -0.0000016300000000, -0.0043564500000000, 0.0000908700000000 ] - [ -0.0000000800000000, -0.0043701300000000, -0.0001281500000000 ] - [ -0.0000000100000000, 0.0043659800000000, -0.0000003200000000 ] - [ -0.0000001200000000, 0.0043625600000000, -0.0000053200000000 ] - [ 0.0000025400000000, -0.0043715800000000, 0.0000016900000000 ] - [ 0.0000003300000000, -0.0043543000000000, -0.0000447200000000 ] - [ -0.0000003300000000, 0.0043269300000000, 0.0011889400000000 ] - [ -0.0000124200000000, 0.0043999700000000, -0.0014488800000000 ] - [ -0.0000904000000000, -0.0001368700000000, -0.0692935000000000 ] - [ -0.0001048600000000, -0.0001517400000000, 0.0045003600000000 ] - [ 0.0001505300000000, 0.0001057900000000, -0.0002361700000000 ] - [ 0.0000983000000000, 0.0001792000000000, 0.0049345700000000 ] - [ 0.0001042600000000, -0.0001526000000000, -0.0062924400000000 ] - [ 0.0001043900000000, -0.0001515300000000, 0.0034206900000000 ] - [ -0.0000595000000000, -0.0000733400000000, -0.0000262800000000 ] - [ -0.0000694800000000, -0.0000575900000000, 0.0002320000000000 ] - [ 0.0000011600000000, -0.0000021700000000, 0.0000016100000000 ] - [ -0.0000016300000000, 0.0000016300000000, 0.0000202400000000 ] - [ -0.0001167600000000, 0.0000976200000000, -0.0032291000000000 ] - [ -0.0001017300000000, 0.0001617500000000, 0.0017564700000000 ] - [ 0.0000623300000000, -0.0000684900000000, -0.0001967900000000 ] - [ 0.0000693000000000, -0.0000575100000000, 0.0001134000000000 ] - [ 0.0000632600000000, 0.0000624100000000, 0.0000021400000000 ] - [ 0.0000640800000000, 0.0000631500000000, 0.0000022100000000 ] - [ -0.0000006800000000, -0.0000020300000000, -0.0000164700000000 ] - [ 0.0000013900000000, 0.0000014600000000, 0.0000095600000000 ] - [ -0.0000637000000000, 0.0000632000000000, -0.0000007700000000 ] - [ -0.0000636700000000, 0.0000637900000000, 0.0000013700000000 ] - [ 0.0074937500000000, -0.0081925700000000, 0.0113045400000000 ] - [ -0.0075974000000000, 0.0083085800000000, 0.0113468400000000 ] - [ 0.0000835500000000, -0.0009514800000000, 0.0001624600000000 ] - [ -0.0000851700000000, 0.0006444200000000, 0.0001305000000000 ] - [ 0.0000024200000000, 0.0044503200000000, 0.0000123800000000 ] - [ -0.0000023700000000, 0.0046335400000000, 0.0000056900000000 ] - [ 0.0000000000000000, -0.0045420100000000, 0.0000023800000000 ] - [ -0.0000003200000000, -0.0045415700000000, 0.0000005200000000 ] - [ -0.0000003700000000, 0.0001565400000000, 0.0000004300000000 ] - [ -0.0000000500000000, 0.0001567400000000, -0.0000007700000000 ] - [ -0.0001045300000000, -0.0001542700000000, -0.0000006800000000 ] - [ -0.0001067700000000, -0.0001523700000000, 0.0000004000000000 ] - [ 0.0001050200000000, 0.0001536900000000, 0.0000023200000000 ] - [ 0.0001079200000000, 0.0001513400000000, 0.0000004300000000 ] - [ 0.0001041900000000, -0.0001545000000000, -0.0000011200000000 ] - [ 0.0001068400000000, -0.0001518800000000, -0.0000004600000000 ] - [ -0.0000645000000000, -0.0000613000000000, 0.0000109500000000 ] - [ -0.0000634000000000, -0.0000652800000000, 0.0000123100000000 ] - [ -0.0000073600000000, 0.0000133200000000, 0.0000891800000000 ] - [ 0.0000057100000000, -0.0000078100000000, 0.0001888700000000 ] - [ -0.0001042900000000, 0.0001536300000000, -0.0000012000000000 ] - [ -0.0001075400000000, 0.0001511800000000, -0.0000003500000000 ] - [ 0.0000640900000000, -0.0000609100000000, -0.0000131000000000 ] - [ 0.0000631300000000, -0.0000656000000000, 0.0000010400000000 ] - [ 0.0000145700000000, 0.0001104300000000, -0.0000444800000000 ] - [ 0.0000755700000000, 0.0000323900000000, 0.0048651500000000 ] - [ 0.0000028100000000, 0.0000069600000000, -0.0001546700000000 ] - [ -0.0000046800000000, -0.0000076300000000, 0.0000592000000000 ] - [ -0.0000466900000000, 0.0001225300000000, -0.0032237200000000 ] - [ -0.0000690200000000, 0.0000532300000000, 0.0017596200000000 ] - [ -0.0000002000000000, 0.0000001100000000, -0.0000024200000000 ] - [ 0.0000002900000000, -0.0000001900000000, 0.0000032600000000 ] - [ -0.0000001300000000, -0.0001563400000000, 0.0000024500000000 ] - [ -0.0000000500000000, -0.0001587400000000, 0.0000012400000000 ] - [ 0.0000007200000000, 0.0045489200000000, 0.0000161100000000 ] - [ -0.0000002100000000, 0.0045336800000000, 0.0000085400000000 ] - [ -0.0000395100000000, -0.0038342400000000, 0.0001892100000000 ] - [ 0.0000420000000000, -0.0052595300000000, 0.0001509100000000 ] - [ -0.0073315100000000, 0.0080523900000000, 0.0114314200000000 ] - [ 0.0074349600000000, -0.0078453800000000, 0.0114693900000000 ] - [ 0.0000332300000000, -0.0000065400000000, 0.0174340100000000 ] - [ 0.0000048200000000, -0.0000205100000000, -0.0146039600000000 ] - [ -0.0000016000000000, 0.0006038700000000, 0.0011571000000000 ] - [ 0.0000084200000000, 0.0005462800000000, -0.0012568400000000 ] - [ 0.0000004900000000, -0.0005755600000000, -0.0000013100000000 ] - [ -0.0000007300000000, -0.0005758000000000, -0.0000013200000000 ] - [ 0.0000000200000000, -0.0000006800000000, -0.0000006800000000 ] - [ 0.0000004500000000, -0.0000000700000000, -0.0000009600000000 ] - [ -0.0000002200000000, 0.0005744000000000, 0.0000009100000000 ] - [ -0.0000001300000000, 0.0005777500000000, -0.0000037000000000 ] - [ -0.0000309300000000, -0.0005698500000000, 0.0171755200000000 ] - [ -0.0000063200000000, -0.0005550400000000, -0.0150686900000000 ]- atom: 35 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000460000000000, 0.0013904700000000, 0.0002771600000000 ] - [ 0.0000460000000000, 0.0013904700000000, -0.0002771600000000 ] - [ 0.0001596300000000, 0.0015670500000000, 0.0012758700000000 ] - [ 0.0001596300000000, 0.0015670500000000, -0.0012758700000000 ] - [ 0.0031913600000000, -0.0053977500000000, 0.0023003100000000 ] - [ 0.0031913600000000, -0.0053977500000000, -0.0023003100000000 ] - [ 0.0000541100000000, 0.0014364100000000, -0.0003482300000000 ] - [ 0.0000541100000000, 0.0014364100000000, 0.0003482300000000 ] - [ 0.0000020400000000, 0.0013311600000000, -0.0000791300000000 ] - [ 0.0000020400000000, 0.0013311600000000, 0.0000791300000000 ] - [ 0.0000010400000000, 0.0012636500000000, -0.0000131000000000 ] - [ 0.0000010400000000, 0.0012636500000000, 0.0000131000000000 ] - [ -0.0005568900000000, -0.0040712300000000, 0.0016433600000000 ] - [ -0.0005568900000000, -0.0040712300000000, -0.0016433600000000 ] - [ 0.0001468800000000, 0.0006857400000000, -0.0005659900000000 ] - [ 0.0001468800000000, 0.0006857400000000, 0.0005659900000000 ] - [ -0.0000000400000000, 0.0004997600000000, 0.0000067100000000 ] - [ -0.0000000400000000, 0.0004997600000000, -0.0000067100000000 ] - [ 0.0000003500000000, 0.0006610600000000, 0.0000309500000000 ] - [ 0.0000003500000000, 0.0006610600000000, -0.0000309500000000 ] - [ 0.0037122900000000, -0.0329515100000000, 0.0000000000000000 ] - [ 0.0008932400000000, -0.0177166300000000, 0.0000000000000000 ] - [ -0.0034456700000000, 0.0133516600000000, 0.0000000000000000 ] - [ -0.0014160000000000, 0.0050976500000000, 0.0000000000000000 ] - [ -0.0000153200000000, 0.0006890300000000, 0.0000000000000000 ] - [ -0.0000020800000000, 0.0005270600000000, 0.0000000000000000 ] - [ -0.0000068000000000, 0.0095342400000000, 0.0000000000000000 ] - [ -0.0000146600000000, 0.0091246300000000, 0.0000000000000000 ] - [ 0.0020278100000000, -0.0036207100000000, 0.0000000000000000 ] - [ 0.0003500300000000, -0.0013252900000000, 0.0000000000000000 ] - [ 0.0152679400000000, -0.0101472700000000, 0.0000000000000000 ] - [ 0.0029110600000000, 0.0010293600000000, 0.0000000000000000 ] - [ -0.0009477300000000, -0.0025171700000000, 0.0000000000000000 ] - [ -0.0002524800000000, -0.0011920400000000, 0.0000000000000000 ] - [ -0.1147835000000000, 0.0686258200000000, 0.0000000000000000 ] - [ -0.0092736800000000, 0.0109281100000000, 0.0000000000000000 ] - [ 0.0208873300000000, -0.0154972600000000, 0.0000000000000000 ] - [ 0.0009670000000000, 0.0003294000000000, 0.0000000000000000 ] - [ -0.0050196200000000, -0.0044257700000000, 0.0000000000000000 ] - [ -0.0008316900000000, 0.0017286800000000, 0.0000000000000000 ] - [ 0.0692246200000000, 0.0249766500000000, 0.0000000000000000 ] - [ 0.0065690300000000, 0.0084938600000000, 0.0000000000000000 ] - [ 0.0029598800000000, -0.0041364900000000, 0.0000000000000000 ] - [ 0.0009214600000000, -0.0011024800000000, 0.0000000000000000 ] - [ -0.0048048700000000, -0.0030293100000000, 0.0000000000000000 ] - [ 0.0008388800000000, 0.0021900900000000, 0.0000000000000000 ] - [ -0.0012242600000000, -0.0025454300000000, 0.0000000000000000 ] - [ -0.0006375600000000, -0.0008767000000000, 0.0000000000000000 ] - [ 0.0002321500000000, -0.0002083600000000, -0.0016957700000000 ] - [ 0.0002321500000000, -0.0002083600000000, 0.0016957700000000 ] - [ 0.0052595000000000, -0.0053367300000000, -0.0186736200000000 ] - [ 0.0052595000000000, -0.0053367300000000, 0.0186736200000000 ] - [ 0.0045805000000000, 0.0020126700000000, 0.0190364000000000 ] - [ 0.0045805000000000, 0.0020126700000000, -0.0190364000000000 ] - [ 0.0004350500000000, -0.0054223200000000, 0.0020565900000000 ] - [ 0.0004350500000000, -0.0054223200000000, -0.0020565900000000 ] - [ 0.0000596700000000, -0.0008151600000000, 0.0004380000000000 ] - [ 0.0000596700000000, -0.0008151600000000, -0.0004380000000000 ] - [ 0.0010129900000000, -0.0024317300000000, 0.0000000000000000 ] - [ 0.0006951800000000, -0.0019103600000000, 0.0000000000000000 ] - [ 0.0010459300000000, -0.0019116000000000, 0.0000000000000000 ] - [ 0.0009783600000000, -0.0017823300000000, 0.0000000000000000 ] - [ -0.0008855500000000, -0.0023786800000000, 0.0000000000000000 ] - [ -0.0006677500000000, -0.0018766200000000, 0.0000000000000000 ] - [ 0.0011380100000000, -0.0022614400000000, 0.0000000000000000 ] - [ 0.0011012900000000, -0.0021947900000000, 0.0000000000000000 ] - [ 0.0016380300000000, -0.0024652200000000, 0.0000000000000000 ] - [ 0.0015582200000000, -0.0023292700000000, 0.0000000000000000 ] - [ -0.0010226200000000, -0.0019002300000000, 0.0000000000000000 ] - [ -0.0009745800000000, -0.0017792000000000, 0.0000000000000000 ] - [ -0.0011282300000000, -0.0022652200000000, 0.0000000000000000 ] - [ -0.0011004700000000, -0.0021940800000000, 0.0000000000000000 ] - [ 0.0014363600000000, -0.0023030600000000, 0.0000000000000000 ] - [ 0.0011655800000000, -0.0019175400000000, 0.0000000000000000 ] - [ -0.0016137500000000, -0.0024542400000000, 0.0000000000000000 ] - [ -0.0015549700000000, -0.0023275000000000, 0.0000000000000000 ] - [ -0.0013659300000000, -0.0023251800000000, 0.0000000000000000 ] - [ -0.0011472000000000, -0.0018964100000000, 0.0000000000000000 ] - [ 0.0000056200000000, -0.0010731600000000, 0.0000882400000000 ] - [ 0.0000056200000000, -0.0010731600000000, -0.0000882400000000 ] - [ 0.0000003600000000, -0.0011203500000000, 0.0000173200000000 ] - [ 0.0000003600000000, -0.0011203500000000, -0.0000173200000000 ] - [ 0.0000008800000000, 0.0035759500000000, -0.0000225600000000 ] - [ 0.0000008800000000, 0.0035759500000000, 0.0000225600000000 ] - [ 0.0000021300000000, -0.0054978300000000, -0.0000955300000000 ] - [ 0.0000021300000000, -0.0054978300000000, 0.0000955300000000 ] - [ 0.0000381300000000, -0.0008595200000000, -0.0003645200000000 ] - [ 0.0000381300000000, -0.0008595200000000, 0.0003645200000000 ] - [ -0.0015351600000000, 0.0073539600000000, 0.0000000000000000 ] - [ -0.0005716300000000, 0.0003779700000000, 0.0000000000000000 ] - [ -0.0098594600000000, -0.0086840200000000, 0.0000000000000000 ] - [ 0.0006617000000000, -0.0098374900000000, 0.0000000000000000 ] - [ -0.0004868900000000, 0.0041497100000000, 0.0000000000000000 ] - [ -0.0001480100000000, 0.0022451600000000, 0.0000000000000000 ] - [ -0.0000294000000000, 0.0039107200000000, 0.0000000000000000 ] - [ -0.0000187800000000, 0.0034793500000000, 0.0000000000000000 ] - [ -0.0000120500000000, 0.0044225700000000, 0.0000000000000000 ] - [ -0.0000021400000000, 0.0042862900000000, 0.0000000000000000 ] - [ -0.0004006800000000, 0.0039547000000000, 0.0000000000000000 ] - [ -0.0000779800000000, 0.0024605400000000, 0.0000000000000000 ]- atom: 35 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000454600000000, -0.0011975500000000, -0.0002809200000000 ] - [ -0.0000454600000000, -0.0011975500000000, 0.0002809200000000 ] - [ -0.0001576400000000, -0.0015670600000000, -0.0012633700000000 ] - [ -0.0001576400000000, -0.0015670600000000, 0.0012633700000000 ] - [ -0.0033192100000000, 0.0050436800000000, -0.0024739300000000 ] - [ -0.0033192100000000, 0.0050436800000000, 0.0024739300000000 ] - [ -0.0000519800000000, -0.0012530500000000, 0.0003470700000000 ] - [ -0.0000519800000000, -0.0012530500000000, -0.0003470700000000 ] - [ -0.0000034200000000, -0.0013266900000000, 0.0000782400000000 ] - [ -0.0000034200000000, -0.0013266900000000, -0.0000782400000000 ] - [ -0.0000002000000000, -0.0014389700000000, 0.0000136600000000 ] - [ -0.0000002000000000, -0.0014389700000000, -0.0000136600000000 ] - [ 0.0006234100000000, 0.0039528700000000, -0.0017118400000000 ] - [ 0.0006234100000000, 0.0039528700000000, 0.0017118400000000 ] - [ -0.0001489200000000, -0.0005239300000000, 0.0005675100000000 ] - [ -0.0001489200000000, -0.0005239300000000, -0.0005675100000000 ] - [ -0.0000001100000000, -0.0006547700000000, -0.0000067100000000 ] - [ -0.0000001100000000, -0.0006547700000000, 0.0000067100000000 ] - [ -0.0000001300000000, -0.0005012800000000, -0.0000310600000000 ] - [ -0.0000001300000000, -0.0005012800000000, 0.0000310600000000 ] - [ -0.0056794600000000, 0.0267358300000000, 0.0000000000000000 ] - [ -0.0008985300000000, 0.0089793900000000, 0.0000000000000000 ] - [ 0.0035399000000000, -0.0046375300000000, 0.0000000000000000 ] - [ 0.0014116900000000, 0.0036632400000000, 0.0000000000000000 ] - [ 0.0000163200000000, -0.0093965300000000, 0.0000000000000000 ] - [ 0.0000023900000000, -0.0092379300000000, 0.0000000000000000 ] - [ 0.0000044600000000, -0.0007918500000000, 0.0000000000000000 ] - [ 0.0000133500000000, -0.0003845600000000, 0.0000000000000000 ] - [ -0.0022212400000000, 0.0032964000000000, 0.0000000000000000 ] - [ -0.0005603900000000, 0.0010240500000000, 0.0000000000000000 ] - [ -0.0148683700000000, 0.0103339700000000, 0.0000000000000000 ] - [ -0.0026758000000000, -0.0007047000000000, 0.0000000000000000 ] - [ 0.0011433200000000, 0.0021899500000000, 0.0000000000000000 ] - [ 0.0004628000000000, 0.0008929700000000, 0.0000000000000000 ] - [ 0.1153633500000000, -0.0695175700000000, 0.0000000000000000 ] - [ 0.0091177200000000, -0.0110257900000000, 0.0000000000000000 ] - [ -0.0211630200000000, 0.0156354100000000, 0.0000000000000000 ] - [ -0.0009551400000000, -0.0003499600000000, 0.0000000000000000 ] - [ 0.0047227500000000, 0.0047776500000000, 0.0000000000000000 ] - [ 0.0006162800000000, -0.0014089400000000, 0.0000000000000000 ] - [ -0.0690867800000000, -0.0250582800000000, 0.0000000000000000 ] - [ -0.0064131700000000, -0.0085916500000000, 0.0000000000000000 ] - [ -0.0028327500000000, 0.0042527000000000, 0.0000000000000000 ] - [ -0.0007883400000000, 0.0012217800000000, 0.0000000000000000 ] - [ 0.0048648300000000, 0.0028662500000000, 0.0000000000000000 ] - [ -0.0008424500000000, -0.0022026700000000, 0.0000000000000000 ] - [ 0.0010974200000000, 0.0026787200000000, 0.0000000000000000 ] - [ 0.0005036200000000, 0.0009965800000000, 0.0000000000000000 ] - [ -0.0002298900000000, 0.0002146600000000, 0.0016685100000000 ] - [ -0.0002298900000000, 0.0002146600000000, -0.0016685100000000 ] - [ -0.0052977000000000, 0.0050222000000000, 0.0184982800000000 ] - [ -0.0052977000000000, 0.0050222000000000, -0.0184982800000000 ] - [ -0.0044903600000000, 0.0070636900000000, -0.0190822300000000 ] - [ -0.0044903600000000, 0.0070636900000000, 0.0190822300000000 ] - [ -0.0004403900000000, -0.0036652000000000, -0.0020667900000000 ] - [ -0.0004403900000000, -0.0036652000000000, 0.0020667900000000 ] - [ -0.0000597200000000, 0.0011312100000000, -0.0004405900000000 ] - [ -0.0000597200000000, 0.0011312100000000, 0.0004405900000000 ] - [ -0.0012139800000000, 0.0021187100000000, 0.0000000000000000 ] - [ -0.0009002900000000, 0.0015993900000000, 0.0000000000000000 ] - [ -0.0008346200000000, 0.0022104800000000, 0.0000000000000000 ] - [ -0.0007621100000000, 0.0020760800000000, 0.0000000000000000 ] - [ 0.0010862400000000, 0.0020623900000000, 0.0000000000000000 ] - [ 0.0008736700000000, 0.0015666600000000, 0.0000000000000000 ] - [ -0.0012613800000000, 0.0021265000000000, 0.0000000000000000 ] - [ -0.0012299900000000, 0.0020643300000000, 0.0000000000000000 ] - [ -0.0016311300000000, 0.0024571900000000, 0.0000000000000000 ] - [ -0.0015523600000000, 0.0023228600000000, 0.0000000000000000 ] - [ 0.0008132700000000, 0.0021996000000000, 0.0000000000000000 ] - [ 0.0007590300000000, 0.0020732500000000, 0.0000000000000000 ] - [ 0.0012527600000000, 0.0021303800000000, 0.0000000000000000 ] - [ 0.0012290600000000, 0.0020632400000000, 0.0000000000000000 ] - [ -0.0013039000000000, 0.0024217400000000, 0.0000000000000000 ] - [ -0.0010331900000000, 0.0020390800000000, 0.0000000000000000 ] - [ 0.0016078600000000, 0.0024457900000000, 0.0000000000000000 ] - [ 0.0015496500000000, 0.0023211600000000, 0.0000000000000000 ] - [ 0.0012329000000000, 0.0024450900000000, 0.0000000000000000 ] - [ 0.0010149500000000, 0.0020202300000000, 0.0000000000000000 ] - [ -0.0000048700000000, 0.0010699300000000, -0.0000944400000000 ] - [ -0.0000048700000000, 0.0010699300000000, 0.0000944400000000 ] - [ -0.0000006700000000, 0.0007980100000000, -0.0000179200000000 ] - [ -0.0000006700000000, 0.0007980100000000, 0.0000179200000000 ] - [ 0.0000002300000000, 0.0055058300000000, 0.0000209500000000 ] - [ 0.0000002300000000, 0.0055058300000000, -0.0000209500000000 ] - [ -0.0000023500000000, -0.0035882900000000, 0.0000929400000000 ] - [ -0.0000023500000000, -0.0035882900000000, -0.0000929400000000 ] - [ -0.0000390900000000, 0.0011775100000000, 0.0003585100000000 ] - [ -0.0000390900000000, 0.0011775100000000, -0.0003585100000000 ] - [ 0.0015071500000000, -0.0072735800000000, 0.0000000000000000 ] - [ 0.0005741700000000, -0.0003996900000000, 0.0000000000000000 ] - [ 0.0111616300000000, 0.0083013500000000, 0.0000000000000000 ] - [ -0.0006669800000000, 0.0109458700000000, 0.0000000000000000 ] - [ 0.0004794000000000, -0.0052954600000000, 0.0000000000000000 ] - [ 0.0001479900000000, -0.0033850600000000, 0.0000000000000000 ] - [ 0.0000291300000000, -0.0038969000000000, 0.0000000000000000 ] - [ 0.0000192000000000, -0.0034649600000000, 0.0000000000000000 ] - [ 0.0000126000000000, -0.0032537900000000, 0.0000000000000000 ] - [ 0.0000020000000000, -0.0031176500000000, 0.0000000000000000 ] - [ 0.0004023200000000, -0.0050799200000000, 0.0000000000000000 ] - [ 0.0000770800000000, -0.0036068700000000, 0.0000000000000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000848500000000, -0.0023046100000000, -0.0005311600000000 ] - [ -0.0000848500000000, -0.0023046100000000, 0.0005311600000000 ] - [ 0.0003041700000000, -0.0020627500000000, -0.0023041000000000 ] - [ 0.0003041700000000, -0.0020627500000000, 0.0023041000000000 ] - [ -0.0010773100000000, 0.0110021600000000, -0.0016599200000000 ] - [ -0.0010773100000000, 0.0110021600000000, 0.0016599200000000 ] - [ -0.0001119900000000, -0.0023195100000000, 0.0008565700000000 ] - [ -0.0001119900000000, -0.0023195100000000, -0.0008565700000000 ] - [ 0.0000035500000000, -0.0024227900000000, 0.0001968500000000 ] - [ 0.0000035500000000, -0.0024227900000000, -0.0001968500000000 ] - [ -0.0000006700000000, -0.0025504300000000, 0.0000381500000000 ] - [ -0.0000006700000000, -0.0025504300000000, -0.0000381500000000 ] - [ -0.0009650800000000, 0.0046218400000000, 0.0023330200000000 ] - [ -0.0009650800000000, 0.0046218400000000, -0.0023330200000000 ] - [ 0.0000711200000000, -0.0007232900000000, 0.0014305800000000 ] - [ 0.0000711200000000, -0.0007232900000000, -0.0014305800000000 ] - [ -0.0000006800000000, -0.0011424000000000, -0.0000120100000000 ] - [ -0.0000006800000000, -0.0011424000000000, 0.0000120100000000 ] - [ 0.0000016400000000, -0.0009702600000000, -0.0000595000000000 ] - [ 0.0000016400000000, -0.0009702600000000, 0.0000595000000000 ] - [ 0.0022056100000000, 0.0421266200000000, 0.0000000000000000 ] - [ -0.0004848600000000, 0.0195147800000000, 0.0000000000000000 ] - [ -0.0050962100000000, -0.0151176100000000, 0.0000000000000000 ] - [ 0.0015743600000000, 0.0050941400000000, 0.0000000000000000 ] - [ 0.0000146800000000, -0.0136306400000000, 0.0000000000000000 ] - [ 0.0000011600000000, -0.0132856500000000, 0.0000000000000000 ] - [ -0.0000866100000000, -0.0051600300000000, 0.0000000000000000 ] - [ 0.0000188500000000, -0.0043397800000000, 0.0000000000000000 ] - [ -0.0030159400000000, 0.0066582800000000, 0.0000000000000000 ] - [ -0.0010262100000000, 0.0020569500000000, 0.0000000000000000 ] - [ -0.0097543200000000, 0.0102137100000000, 0.0000000000000000 ] - [ 0.0009660700000000, -0.0004386300000000, 0.0000000000000000 ] - [ 0.0021582500000000, 0.0042425100000000, 0.0000000000000000 ] - [ 0.0008800400000000, 0.0020729900000000, 0.0000000000000000 ] - [ 0.0694929100000000, -0.1304383100000000, 0.0000000000000000 ] - [ 0.0109070600000000, -0.0172223200000000, 0.0000000000000000 ] - [ -0.0167124600000000, 0.0176802400000000, 0.0000000000000000 ] - [ 0.0007015000000000, -0.0024281200000000, 0.0000000000000000 ] - [ 0.0035528800000000, 0.0244513300000000, 0.0000000000000000 ] - [ -0.0013447300000000, -0.0027380300000000, 0.0000000000000000 ] - [ -0.0249184700000000, -0.0322191800000000, 0.0000000000000000 ] - [ -0.0084723500000000, -0.0151093500000000, 0.0000000000000000 ] - [ -0.0041378200000000, 0.0088839100000000, 0.0000000000000000 ] - [ -0.0010921800000000, 0.0015981700000000, 0.0000000000000000 ] - [ 0.0048398600000000, 0.0269357500000000, 0.0000000000000000 ] - [ -0.0028364800000000, -0.0046927100000000, 0.0000000000000000 ] - [ 0.0025501100000000, 0.0054429200000000, 0.0000000000000000 ] - [ 0.0008663700000000, 0.0014407900000000, 0.0000000000000000 ] - [ -0.0000817700000000, 0.0010616500000000, 0.0026632900000000 ] - [ -0.0000817700000000, 0.0010616500000000, -0.0026632900000000 ] - [ -0.0064369600000000, -0.0005272500000000, 0.0177242300000000 ] - [ -0.0064369600000000, -0.0005272500000000, -0.0177242300000000 ] - [ -0.0081972800000000, 0.0026286000000000, -0.0234327700000000 ] - [ -0.0081972800000000, 0.0026286000000000, 0.0234327700000000 ] - [ -0.0000711600000000, -0.0031344800000000, -0.0045606200000000 ] - [ -0.0000711600000000, -0.0031344800000000, 0.0045606200000000 ] - [ -0.0000823100000000, 0.0018786500000000, -0.0010434100000000 ] - [ -0.0000823100000000, 0.0018786500000000, 0.0010434100000000 ] - [ -0.0020628700000000, 0.0040751400000000, 0.0000000000000000 ] - [ -0.0014721500000000, 0.0029223000000000, 0.0000000000000000 ] - [ -0.0016212200000000, 0.0039996300000000, 0.0000000000000000 ] - [ -0.0014702300000000, 0.0036512100000000, 0.0000000000000000 ] - [ 0.0020176400000000, 0.0042405600000000, 0.0000000000000000 ] - [ 0.0014536000000000, 0.0028805100000000, 0.0000000000000000 ] - [ -0.0022609600000000, 0.0039788300000000, 0.0000000000000000 ] - [ -0.0021973300000000, 0.0038288500000000, 0.0000000000000000 ] - [ -0.0029791900000000, 0.0045451100000000, 0.0000000000000000 ] - [ -0.0028420000000000, 0.0042552000000000, 0.0000000000000000 ] - [ 0.0016099900000000, 0.0039568400000000, 0.0000000000000000 ] - [ 0.0014665700000000, 0.0036496700000000, 0.0000000000000000 ] - [ 0.0022653400000000, 0.0039858400000000, 0.0000000000000000 ] - [ 0.0021962600000000, 0.0038272700000000, 0.0000000000000000 ] - [ -0.0022949200000000, 0.0043698200000000, 0.0000000000000000 ] - [ -0.0019156300000000, 0.0036944600000000, 0.0000000000000000 ] - [ 0.0029613100000000, 0.0045016700000000, 0.0000000000000000 ] - [ 0.0028411500000000, 0.0042562000000000, 0.0000000000000000 ] - [ 0.0023163900000000, 0.0045589700000000, 0.0000000000000000 ] - [ 0.0018955700000000, 0.0036556000000000, 0.0000000000000000 ] - [ -0.0000025700000000, 0.0019495300000000, -0.0002284000000000 ] - [ -0.0000025700000000, 0.0019495300000000, 0.0002284000000000 ] - [ -0.0000012700000000, 0.0015949900000000, -0.0000475600000000 ] - [ -0.0000012700000000, 0.0015949900000000, 0.0000475600000000 ] - [ -0.0000002700000000, 0.0063066700000000, 0.0000397700000000 ] - [ -0.0000002700000000, 0.0063066700000000, -0.0000397700000000 ] - [ 0.0000003800000000, -0.0027889700000000, 0.0001767400000000 ] - [ 0.0000003800000000, -0.0027889700000000, -0.0001767400000000 ] - [ -0.0000485100000000, 0.0018524100000000, 0.0006373100000000 ] - [ -0.0000485100000000, 0.0018524100000000, -0.0006373100000000 ] - [ -0.0040870700000000, -0.0133866400000000, 0.0000000000000000 ] - [ 0.0013630400000000, -0.0014117100000000, 0.0000000000000000 ] - [ 0.0140134000000000, 0.0276746600000000, 0.0000000000000000 ] - [ -0.0013514500000000, 0.0193063400000000, 0.0000000000000000 ] - [ 0.0011109000000000, -0.0099200700000000, 0.0000000000000000 ] - [ 0.0001076500000000, -0.0051736000000000, 0.0000000000000000 ] - [ -0.0000706200000000, -0.0073288200000000, 0.0000000000000000 ] - [ 0.0000231200000000, -0.0062322800000000, 0.0000000000000000 ] - [ 0.0000100900000000, -0.0065098400000000, 0.0000000000000000 ] - [ 0.0000010100000000, -0.0061697200000000, 0.0000000000000000 ] - [ 0.0007811800000000, -0.0090019600000000, 0.0000000000000000 ] - [ 0.0000040400000000, -0.0061723000000000, 0.0000000000000000 ]- atom: 35 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000861100000000, 0.0024818500000000, 0.0005298400000000 ] - [ 0.0000861100000000, 0.0024818500000000, -0.0005298400000000 ] - [ -0.0003119000000000, 0.0020478600000000, 0.0023268000000000 ] - [ -0.0003119000000000, 0.0020478600000000, -0.0023268000000000 ] - [ 0.0009736200000000, -0.0113647400000000, 0.0014696400000000 ] - [ 0.0009736200000000, -0.0113647400000000, -0.0014696400000000 ] - [ 0.0001122000000000, 0.0024886200000000, -0.0008506400000000 ] - [ 0.0001122000000000, 0.0024886200000000, 0.0008506400000000 ] - [ -0.0000048500000000, 0.0024229800000000, -0.0001956300000000 ] - [ -0.0000048500000000, 0.0024229800000000, 0.0001956300000000 ] - [ 0.0000015300000000, 0.0023814100000000, -0.0000366800000000 ] - [ 0.0000015300000000, 0.0023814100000000, 0.0000366800000000 ] - [ 0.0010159500000000, -0.0047165400000000, -0.0024115300000000 ] - [ 0.0010159500000000, -0.0047165400000000, 0.0024115300000000 ] - [ -0.0000696600000000, 0.0008965500000000, -0.0014195000000000 ] - [ -0.0000696600000000, 0.0008965500000000, 0.0014195000000000 ] - [ 0.0000003600000000, 0.0009783600000000, 0.0000122900000000 ] - [ 0.0000003600000000, 0.0009783600000000, -0.0000122900000000 ] - [ -0.0000015800000000, 0.0011331200000000, 0.0000594900000000 ] - [ -0.0000015800000000, 0.0011331200000000, -0.0000594900000000 ] - [ -0.0047758300000000, -0.0487678500000000, 0.0000000000000000 ] - [ 0.0004797600000000, -0.0281561400000000, 0.0000000000000000 ] - [ 0.0050188200000000, 0.0237455400000000, 0.0000000000000000 ] - [ -0.0015726200000000, 0.0037079700000000, 0.0000000000000000 ] - [ -0.0000138400000000, 0.0049095800000000, 0.0000000000000000 ] - [ -0.0000002100000000, 0.0045600300000000, 0.0000000000000000 ] - [ 0.0000858200000000, 0.0138813800000000, 0.0000000000000000 ] - [ -0.0000213500000000, 0.0130500500000000, 0.0000000000000000 ] - [ 0.0028245600000000, -0.0070093600000000, 0.0000000000000000 ] - [ 0.0008126600000000, -0.0023475700000000, 0.0000000000000000 ] - [ 0.0100113000000000, -0.0099937200000000, 0.0000000000000000 ] - [ -0.0007552200000000, 0.0007810900000000, 0.0000000000000000 ] - [ -0.0019598700000000, -0.0045631700000000, 0.0000000000000000 ] - [ -0.0006666100000000, -0.0023639100000000, 0.0000000000000000 ] - [ -0.0686533900000000, 0.1296699400000000, 0.0000000000000000 ] - [ -0.0110427700000000, 0.0170937400000000, 0.0000000000000000 ] - [ 0.0166149600000000, -0.0174874100000000, 0.0000000000000000 ] - [ -0.0006689300000000, 0.0023843700000000, 0.0000000000000000 ] - [ -0.0038530900000000, -0.0245987900000000, 0.0000000000000000 ] - [ 0.0011429900000000, 0.0030811300000000, 0.0000000000000000 ] - [ 0.0251114800000000, 0.0321030300000000, 0.0000000000000000 ] - [ 0.0086088200000000, 0.0149782300000000, 0.0000000000000000 ] - [ 0.0042505500000000, -0.0087001200000000, 0.0000000000000000 ] - [ 0.0012302500000000, -0.0014864500000000, 0.0000000000000000 ] - [ -0.0047195300000000, -0.0264833200000000, 0.0000000000000000 ] - [ 0.0028050100000000, 0.0046450600000000, 0.0000000000000000 ] - [ -0.0026731800000000, -0.0052905900000000, 0.0000000000000000 ] - [ -0.0010051900000000, -0.0013258900000000, 0.0000000000000000 ] - [ 0.0000797800000000, -0.0010446400000000, -0.0027038000000000 ] - [ 0.0000797800000000, -0.0010446400000000, 0.0027038000000000 ] - [ 0.0064513400000000, 0.0002965900000000, -0.0178251200000000 ] - [ 0.0064513400000000, 0.0002965900000000, 0.0178251200000000 ] - [ 0.0082067500000000, 0.0063512000000000, 0.0233711200000000 ] - [ 0.0082067500000000, 0.0063512000000000, -0.0233711200000000 ] - [ 0.0000706400000000, -0.0059575100000000, 0.0045234600000000 ] - [ 0.0000706400000000, -0.0059575100000000, -0.0045234600000000 ] - [ 0.0000814700000000, -0.0015593200000000, 0.0010321400000000 ] - [ 0.0000814700000000, -0.0015593200000000, -0.0010321400000000 ] - [ 0.0018593200000000, -0.0043813600000000, 0.0000000000000000 ] - [ 0.0012684100000000, -0.0032342500000000, 0.0000000000000000 ] - [ 0.0018270800000000, -0.0036882800000000, 0.0000000000000000 ] - [ 0.0016808100000000, -0.0033469400000000, 0.0000000000000000 ] - [ -0.0018138100000000, -0.0045438400000000, 0.0000000000000000 ] - [ -0.0012489400000000, -0.0031923200000000, 0.0000000000000000 ] - [ 0.0021299000000000, -0.0041057600000000, 0.0000000000000000 ] - [ 0.0020630300000000, -0.0039527400000000, 0.0000000000000000 ] - [ 0.0029810800000000, -0.0045455800000000, 0.0000000000000000 ] - [ 0.0028407700000000, -0.0042507300000000, 0.0000000000000000 ] - [ -0.0018145900000000, -0.0036456400000000, 0.0000000000000000 ] - [ -0.0016768600000000, -0.0033452600000000, 0.0000000000000000 ] - [ -0.0021336700000000, -0.0041129300000000, 0.0000000000000000 ] - [ -0.0020625500000000, -0.0039513000000000, 0.0000000000000000 ] - [ 0.0024266500000000, -0.0042432700000000, 0.0000000000000000 ] - [ 0.0020413900000000, -0.0035584700000000, 0.0000000000000000 ] - [ -0.0029622700000000, -0.0045018100000000, 0.0000000000000000 ] - [ -0.0028398600000000, -0.0042522800000000, 0.0000000000000000 ] - [ -0.0024503000000000, -0.0044349600000000, 0.0000000000000000 ] - [ -0.0020215600000000, -0.0035171900000000, 0.0000000000000000 ] - [ 0.0000033700000000, -0.0019490400000000, 0.0002210400000000 ] - [ 0.0000033700000000, -0.0019490400000000, -0.0002210400000000 ] - [ 0.0000007500000000, -0.0019146000000000, 0.0000448200000000 ] - [ 0.0000007500000000, -0.0019146000000000, -0.0000448200000000 ] - [ 0.0000012600000000, 0.0027776000000000, -0.0000414300000000 ] - [ 0.0000012600000000, 0.0027776000000000, 0.0000414300000000 ] - [ -0.0000007700000000, -0.0062911600000000, -0.0001807000000000 ] - [ -0.0000007700000000, -0.0062911600000000, 0.0001807000000000 ] - [ 0.0000476900000000, -0.0015261200000000, -0.0006533300000000 ] - [ 0.0000476900000000, -0.0015261200000000, 0.0006533300000000 ] - [ 0.0041648500000000, 0.0134723600000000, 0.0000000000000000 ] - [ -0.0013624800000000, 0.0013519500000000, 0.0000000000000000 ] - [ -0.0123770400000000, -0.0279009300000000, 0.0000000000000000 ] - [ 0.0013458500000000, -0.0182030900000000, 0.0000000000000000 ] - [ -0.0011014500000000, 0.0087425700000000, 0.0000000000000000 ] - [ -0.0001081000000000, 0.0040409400000000, 0.0000000000000000 ] - [ 0.0000686100000000, 0.0073245700000000, 0.0000000000000000 ] - [ -0.0000230400000000, 0.0062386500000000, 0.0000000000000000 ] - [ -0.0000094700000000, 0.0076580300000000, 0.0000000000000000 ] - [ -0.0000013700000000, 0.0073203700000000, 0.0000000000000000 ] - [ -0.0007904500000000, 0.0078731500000000, 0.0000000000000000 ] - [ -0.0000034200000000, 0.0050045500000000, 0.0000000000000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000042000000000, 0.0000122100000000, -0.0000072200000000 ] - [ 0.0000034800000000, 0.0001745500000000, 0.0000043800000000 ] - [ -0.0000450700000000, -0.0011056600000000, 0.0000421000000000 ] - [ 0.0000480900000000, 0.0011198500000000, 0.0000660600000000 ] - [ 0.0004079100000000, -0.0008188300000000, 0.0018962400000000 ] - [ -0.0005373000000000, 0.0004996800000000, 0.0020943400000000 ] - [ 0.0000028500000000, 0.0001090500000000, -0.0000049300000000 ] - [ -0.0000018100000000, 0.0000635300000000, 0.0000020100000000 ] - [ -0.0000003100000000, 0.0000027400000000, 0.0000001400000000 ] - [ -0.0000007500000000, 0.0000004400000000, -0.0000003800000000 ] - [ 0.0000003600000000, -0.0000841200000000, -0.0000003000000000 ] - [ 0.0000001400000000, -0.0000860900000000, 0.0000000200000000 ] - [ 0.0016987300000000, 0.0017467900000000, -0.0013454800000000 ] - [ -0.0016802400000000, -0.0018939500000000, -0.0012885300000000 ] - [ 0.0000570900000000, 0.0004048600000000, 0.0000397000000000 ] - [ -0.0000567600000000, -0.0002476600000000, 0.0000507700000000 ] - [ -0.0000001100000000, -0.0000788100000000, 0.0000001100000000 ] - [ -0.0000000800000000, -0.0000777300000000, 0.0000004900000000 ] - [ 0.0000000900000000, 0.0000746900000000, -0.0000011600000000 ] - [ -0.0000000100000000, 0.0000849700000000, -0.0000001400000000 ] - [ 0.0001298300000000, -0.0045018400000000, 0.0150515800000000 ] - [ 0.0000125400000000, -0.0044162200000000, -0.0192851600000000 ] - [ -0.0000159600000000, 0.0044101100000000, 0.0002930100000000 ] - [ 0.0000096100000000, 0.0043304800000000, -0.0006056000000000 ] - [ 0.0000002800000000, -0.0043605200000000, -0.0000005700000000 ] - [ 0.0000001300000000, -0.0043606700000000, -0.0000019400000000 ] - [ -0.0000006400000000, 0.0043680400000000, 0.0000123900000000 ] - [ -0.0000009300000000, 0.0043735800000000, -0.0000180400000000 ] - [ -0.0001068200000000, -0.0001457300000000, -0.0000258900000000 ] - [ -0.0000991500000000, -0.0001615900000000, 0.0002318400000000 ] - [ 0.0000470500000000, 0.0002106200000000, -0.0000440800000000 ] - [ 0.0001158900000000, 0.0001187000000000, 0.0048637400000000 ] - [ 0.0001037700000000, -0.0001499200000000, -0.0001958500000000 ] - [ 0.0000992800000000, -0.0001614600000000, 0.0001148900000000 ] - [ 0.0000089500000000, 0.0001051700000000, -0.0552662700000000 ] - [ -0.0000702800000000, -0.0000515600000000, 0.0037614100000000 ] - [ 0.0000744800000000, -0.0000747000000000, 0.0019467900000000 ] - [ -0.0000275200000000, 0.0000326800000000, 0.0024905500000000 ] - [ -0.0000885400000000, 0.0002095500000000, -0.0032242900000000 ] - [ -0.0001088800000000, 0.0001412000000000, 0.0017578800000000 ] - [ 0.0000904800000000, -0.0000436600000000, -0.0064803700000000 ] - [ 0.0000715700000000, -0.0000532900000000, 0.0027608500000000 ] - [ 0.0000725900000000, 0.0000473100000000, 0.0002264100000000 ] - [ 0.0000611500000000, 0.0000695100000000, 0.0001137000000000 ] - [ -0.0000097900000000, -0.0000401500000000, -0.0037025000000000 ] - [ 0.0000108900000000, 0.0000159900000000, 0.0010822900000000 ] - [ -0.0000665000000000, 0.0000553500000000, -0.0000805900000000 ] - [ -0.0000612700000000, 0.0000702600000000, 0.0000204300000000 ] - [ -0.0000863000000000, 0.0008164800000000, 0.0001597900000000 ] - [ 0.0000896700000000, -0.0008294100000000, 0.0001312300000000 ] - [ -0.0075270300000000, 0.0085726700000000, 0.0117861400000000 ] - [ 0.0076613000000000, -0.0090340100000000, 0.0118692400000000 ] - [ 0.0091812600000000, -0.0038481500000000, 0.0137783000000000 ] - [ -0.0093169600000000, 0.0130700900000000, 0.0138195900000000 ] - [ 0.0000692400000000, -0.0046799900000000, 0.0002382300000000 ] - [ -0.0000685500000000, -0.0043992400000000, 0.0001963100000000 ] - [ 0.0000045500000000, 0.0001437300000000, 0.0000241900000000 ] - [ -0.0000046500000000, 0.0001697800000000, 0.0000154900000000 ] - [ -0.0001013600000000, -0.0001595300000000, 0.0000102800000000 ] - [ -0.0001062600000000, -0.0001530500000000, 0.0000128000000000 ] - [ 0.0001057600000000, 0.0001518100000000, 0.0000021500000000 ] - [ 0.0001076500000000, 0.0001514700000000, 0.0000004500000000 ] - [ 0.0001014800000000, -0.0001597000000000, -0.0000117800000000 ] - [ 0.0001061600000000, -0.0001522900000000, 0.0000019300000000 ] - [ -0.0000622800000000, -0.0000665500000000, 0.0000001200000000 ] - [ -0.0000639800000000, -0.0000651100000000, -0.0000001300000000 ] - [ 0.0000015000000000, -0.0000018400000000, -0.0000000800000000 ] - [ 0.0000021800000000, -0.0000029200000000, 0.0000027100000000 ] - [ -0.0001050500000000, 0.0001519300000000, -0.0000009600000000 ] - [ -0.0001073300000000, 0.0001517000000000, -0.0000009800000000 ] - [ 0.0000621200000000, -0.0000663600000000, -0.0000021600000000 ] - [ 0.0000635300000000, -0.0000652500000000, -0.0000012600000000 ] - [ 0.0000637600000000, 0.0000651400000000, -0.0000075400000000 ] - [ 0.0000677700000000, 0.0000591800000000, 0.0000281300000000 ] - [ -0.0000013500000000, -0.0000018300000000, -0.0000030700000000 ] - [ -0.0000020100000000, -0.0000029900000000, 0.0000021100000000 ] - [ -0.0000643300000000, 0.0000652300000000, -0.0000219200000000 ] - [ -0.0000671400000000, 0.0000608400000000, 0.0000177200000000 ] - [ 0.0000001400000000, -0.0000041900000000, 0.0000002800000000 ] - [ 0.0000002700000000, 0.0000029400000000, 0.0000032800000000 ] - [ 0.0000000300000000, -0.0001586800000000, 0.0000001300000000 ] - [ -0.0000007100000000, -0.0001587600000000, 0.0000010000000000 ] - [ 0.0000001500000000, 0.0045404600000000, -0.0000004700000000 ] - [ 0.0000003900000000, 0.0045395100000000, -0.0000000200000000 ] - [ 0.0000000500000000, -0.0045304500000000, 0.0000022100000000 ] - [ -0.0000002300000000, -0.0045532900000000, 0.0000015700000000 ] - [ -0.0000050200000000, 0.0002649500000000, 0.0000153200000000 ] - [ 0.0000043500000000, 0.0000514400000000, 0.0000098300000000 ] - [ 0.0000041700000000, -0.0000295400000000, 0.0011267500000000 ] - [ -0.0000112500000000, 0.0000333500000000, -0.0012428500000000 ] - [ -0.0001313600000000, 0.0006553100000000, 0.0156807000000000 ] - [ -0.0000065400000000, 0.0005807300000000, -0.0149318300000000 ] - [ -0.0000014300000000, -0.0005626600000000, 0.0000155000000000 ] - [ -0.0000007000000000, -0.0005792600000000, -0.0000410800000000 ] - [ 0.0000000000000000, 0.0000051600000000, 0.0000012200000000 ] - [ 0.0000003900000000, 0.0000014800000000, -0.0000055500000000 ] - [ -0.0000003200000000, 0.0005791500000000, 0.0000000800000000 ] - [ -0.0000000600000000, 0.0005782300000000, -0.0000007400000000 ] - [ 0.0000010200000000, -0.0005738700000000, 0.0000974200000000 ] - [ -0.0000010000000000, -0.0005615200000000, -0.0001246200000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000017400000000, 0.0019080000000000, 0.0000773100000000 ] - [ 0.0000017400000000, 0.0019080000000000, -0.0000773100000000 ] - [ 0.0000618100000000, 0.0017848200000000, 0.0003353400000000 ] - [ 0.0000618100000000, 0.0017848200000000, -0.0003353400000000 ] - [ 0.0003581200000000, 0.0017781700000000, 0.0015111400000000 ] - [ 0.0003581200000000, 0.0017781700000000, -0.0015111400000000 ] - [ 0.0003548600000000, 0.0019689400000000, -0.0015026400000000 ] - [ 0.0003548600000000, 0.0019689400000000, 0.0015026400000000 ] - [ 0.0000608500000000, 0.0017847700000000, -0.0003366700000000 ] - [ 0.0000608500000000, 0.0017847700000000, 0.0003366700000000 ] - [ 0.0000020400000000, 0.0017273900000000, -0.0000787900000000 ] - [ 0.0000020400000000, 0.0017273900000000, 0.0000787900000000 ] - [ -0.0004009000000000, -0.0042742800000000, -0.0008537900000000 ] - [ -0.0004009000000000, -0.0042742800000000, 0.0008537900000000 ] - [ -0.0003508700000000, -0.0040507400000000, 0.0008012200000000 ] - [ -0.0003508700000000, -0.0040507400000000, -0.0008012200000000 ] - [ 0.0000000800000000, 0.0006960000000000, -0.0000064800000000 ] - [ 0.0000000800000000, 0.0006960000000000, 0.0000064800000000 ] - [ 0.0000002700000000, 0.0008571500000000, 0.0000064100000000 ] - [ 0.0000002700000000, 0.0008571500000000, -0.0000064100000000 ] - [ 0.0044213000000000, -0.0461894200000000, 0.0000000000000000 ] - [ 0.0014877900000000, -0.0234233300000000, 0.0000000000000000 ] - [ 0.0023066600000000, -0.0346569600000000, 0.0000000000000000 ] - [ 0.0014792600000000, -0.0146404200000000, 0.0000000000000000 ] - [ -0.0000141600000000, 0.0023807000000000, 0.0000000000000000 ] - [ -0.0000026800000000, 0.0022193500000000, 0.0000000000000000 ] - [ -0.0000158100000000, 0.0111088400000000, 0.0000000000000000 ] - [ -0.0000035400000000, 0.0109479900000000, 0.0000000000000000 ] - [ 0.0013133300000000, -0.0030837100000000, 0.0000000000000000 ] - [ 0.0009993800000000, -0.0025899500000000, 0.0000000000000000 ] - [ 0.0028685600000000, -0.0044539300000000, 0.0000000000000000 ] - [ 0.0008751400000000, -0.0015110700000000, 0.0000000000000000 ] - [ -0.0012133600000000, -0.0030844400000000, 0.0000000000000000 ] - [ -0.0009730000000000, -0.0025532100000000, 0.0000000000000000 ] - [ 0.0210953900000000, -0.0168124700000000, 0.0000000000000000 ] - [ 0.0008913900000000, 0.0006331300000000, 0.0000000000000000 ] - [ -0.1406746000000000, 0.1124967700000000, 0.0000000000000000 ] - [ -0.0127854200000000, 0.0152280100000000, 0.0000000000000000 ] - [ -0.0014390600000000, -0.0028414000000000, 0.0000000000000000 ] - [ -0.0006904700000000, -0.0013431400000000, 0.0000000000000000 ] - [ -0.0048218700000000, -0.0047885100000000, 0.0000000000000000 ] - [ 0.0009117200000000, 0.0027698500000000, 0.0000000000000000 ] - [ 0.0209516700000000, -0.0165135200000000, 0.0000000000000000 ] - [ 0.0010269900000000, 0.0007395900000000, 0.0000000000000000 ] - [ 0.0826733600000000, 0.0349752100000000, 0.0000000000000000 ] - [ 0.0093919600000000, 0.0122025600000000, 0.0000000000000000 ] - [ -0.0048452400000000, -0.0047636900000000, 0.0000000000000000 ] - [ 0.0007739700000000, 0.0028750000000000, 0.0000000000000000 ] - [ 0.0000594500000000, -0.0014714000000000, -0.0004176100000000 ] - [ 0.0000594500000000, -0.0014714000000000, 0.0004176100000000 ] - [ 0.0005162700000000, -0.0013220300000000, -0.0021148300000000 ] - [ 0.0005162700000000, -0.0013220300000000, 0.0021148300000000 ] - [ 0.0047245200000000, 0.0005950500000000, -0.0219763400000000 ] - [ 0.0047245200000000, 0.0005950500000000, 0.0219763400000000 ] - [ 0.0048047000000000, -0.0085122400000000, 0.0218692100000000 ] - [ 0.0048047000000000, -0.0085122400000000, -0.0218692100000000 ] - [ 0.0005104000000000, -0.0010026100000000, 0.0020981400000000 ] - [ 0.0005104000000000, -0.0010026100000000, -0.0020981400000000 ] - [ 0.0026647700000000, -0.0047617100000000, 0.0000000000000000 ] - [ 0.0006712800000000, -0.0018214600000000, 0.0000000000000000 ] - [ 0.0015133600000000, -0.0027688800000000, 0.0000000000000000 ] - [ 0.0012092000000000, -0.0022882100000000, 0.0000000000000000 ] - [ -0.0012361200000000, -0.0031438700000000, 0.0000000000000000 ] - [ -0.0004868900000000, -0.0016552600000000, 0.0000000000000000 ] - [ 0.0015691200000000, -0.0030450400000000, 0.0000000000000000 ] - [ 0.0014878900000000, -0.0029040600000000, 0.0000000000000000 ] - [ 0.0021539600000000, -0.0032459200000000, 0.0000000000000000 ] - [ 0.0021150100000000, -0.0031755300000000, 0.0000000000000000 ] - [ -0.0014129000000000, -0.0027715100000000, 0.0000000000000000 ] - [ -0.0011830900000000, -0.0022514600000000, 0.0000000000000000 ] - [ -0.0015447700000000, -0.0030266200000000, 0.0000000000000000 ] - [ -0.0014846300000000, -0.0029027500000000, 0.0000000000000000 ] - [ 0.0017001800000000, -0.0029160600000000, 0.0000000000000000 ] - [ 0.0016216100000000, -0.0027777600000000, 0.0000000000000000 ] - [ -0.0021485100000000, -0.0032524500000000, 0.0000000000000000 ] - [ -0.0021136100000000, -0.0031739800000000, 0.0000000000000000 ] - [ -0.0016764700000000, -0.0028971700000000, 0.0000000000000000 ] - [ -0.0016185400000000, -0.0027752700000000, 0.0000000000000000 ] - [ 0.0000597400000000, -0.0014728000000000, 0.0004062100000000 ] - [ 0.0000597400000000, -0.0014728000000000, -0.0004062100000000 ] - [ 0.0000042300000000, -0.0014503900000000, 0.0000979600000000 ] - [ 0.0000042300000000, -0.0014503900000000, -0.0000979600000000 ] - [ 0.0000012000000000, 0.0032412300000000, 0.0000187700000000 ] - [ 0.0000012000000000, 0.0032412300000000, -0.0000187700000000 ] - [ 0.0000004300000000, -0.0058343900000000, -0.0000206700000000 ] - [ 0.0000004300000000, -0.0058343900000000, 0.0000206700000000 ] - [ 0.0000037200000000, -0.0011298700000000, -0.0001008900000000 ] - [ 0.0000037200000000, -0.0011298700000000, 0.0001008900000000 ] - [ -0.0005431700000000, 0.0058494600000000, 0.0000000000000000 ] - [ -0.0001126600000000, 0.0040473800000000, 0.0000000000000000 ] - [ -0.0025633000000000, 0.0101467900000000, 0.0000000000000000 ] - [ -0.0014479000000000, 0.0013054800000000, 0.0000000000000000 ] - [ -0.0025125700000000, 0.0089350400000000, 0.0000000000000000 ] - [ -0.0014449400000000, 0.0001756900000000, 0.0000000000000000 ] - [ -0.0005480500000000, 0.0058421900000000, 0.0000000000000000 ] - [ -0.0001110500000000, 0.0040529800000000, 0.0000000000000000 ] - [ -0.0000062300000000, 0.0058516300000000, 0.0000000000000000 ] - [ -0.0000187000000000, 0.0054200800000000, 0.0000000000000000 ] - [ -0.0000078400000000, 0.0047006900000000, 0.0000000000000000 ] - [ -0.0000183800000000, 0.0042582000000000, 0.0000000000000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000036100000000, -0.0026278400000000, -0.0001623600000000 ] - [ 0.0000036100000000, -0.0026278400000000, 0.0001623600000000 ] - [ -0.0000926400000000, -0.0026352100000000, -0.0006566000000000 ] - [ -0.0000926400000000, -0.0026352100000000, 0.0006566000000000 ] - [ 0.0002207200000000, -0.0024126000000000, -0.0030478500000000 ] - [ 0.0002207200000000, -0.0024126000000000, 0.0030478500000000 ] - [ 0.0002269100000000, -0.0022113000000000, 0.0030687600000000 ] - [ 0.0002269100000000, -0.0022113000000000, -0.0030687600000000 ] - [ -0.0000940400000000, -0.0026330800000000, 0.0006596300000000 ] - [ -0.0000940400000000, -0.0026330800000000, -0.0006596300000000 ] - [ 0.0000038200000000, -0.0028102800000000, 0.0001606300000000 ] - [ 0.0000038200000000, -0.0028102800000000, -0.0001606300000000 ] - [ -0.0013507500000000, 0.0033857500000000, -0.0030314600000000 ] - [ -0.0013507500000000, 0.0033857500000000, 0.0030314600000000 ] - [ -0.0013145600000000, 0.0036252800000000, 0.0029714400000000 ] - [ -0.0013145600000000, 0.0036252800000000, -0.0029714400000000 ] - [ -0.0000006500000000, -0.0012493000000000, 0.0000134800000000 ] - [ -0.0000006500000000, -0.0012493000000000, -0.0000134800000000 ] - [ -0.0000004300000000, -0.0010890500000000, -0.0000135400000000 ] - [ -0.0000004300000000, -0.0010890500000000, 0.0000135400000000 ] - [ -0.0016432500000000, 0.0484381800000000, 0.0000000000000000 ] - [ -0.0012626200000000, 0.0223124100000000, 0.0000000000000000 ] - [ -0.0044403400000000, 0.0592531900000000, 0.0000000000000000 ] - [ -0.0012751900000000, 0.0311287700000000, 0.0000000000000000 ] - [ 0.0000089600000000, -0.0145887400000000, 0.0000000000000000 ] - [ 0.0000006200000000, -0.0142483000000000, 0.0000000000000000 ] - [ 0.0000070200000000, -0.0058572200000000, 0.0000000000000000 ] - [ -0.0000001800000000, -0.0055171800000000, 0.0000000000000000 ] - [ -0.0021688100000000, 0.0043457300000000, 0.0000000000000000 ] - [ -0.0016976700000000, 0.0034262500000000, 0.0000000000000000 ] - [ -0.0033343800000000, 0.0080307600000000, 0.0000000000000000 ] - [ -0.0008377900000000, 0.0023066100000000, 0.0000000000000000 ] - [ 0.0021469600000000, 0.0044850200000000, 0.0000000000000000 ] - [ 0.0016801900000000, 0.0033876000000000, 0.0000000000000000 ] - [ -0.0155939300000000, 0.0174334200000000, 0.0000000000000000 ] - [ 0.0002637700000000, -0.0024558000000000, 0.0000000000000000 ] - [ 0.1124962500000000, -0.1545942900000000, 0.0000000000000000 ] - [ 0.0152281600000000, -0.0197066600000000, 0.0000000000000000 ] - [ 0.0022524700000000, 0.0051793200000000, 0.0000000000000000 ] - [ 0.0006390800000000, 0.0022788200000000, 0.0000000000000000 ] - [ 0.0029558600000000, 0.0264103700000000, 0.0000000000000000 ] - [ -0.0021185800000000, -0.0047135400000000, 0.0000000000000000 ] - [ -0.0155412700000000, 0.0177361400000000, 0.0000000000000000 ] - [ 0.0004140600000000, -0.0023558600000000, 0.0000000000000000 ] - [ -0.0349733100000000, -0.0398355800000000, 0.0000000000000000 ] - [ -0.0122035000000000, -0.0169862100000000, 0.0000000000000000 ] - [ 0.0029446300000000, 0.0270110000000000, 0.0000000000000000 ] - [ -0.0022724800000000, -0.0046226000000000, 0.0000000000000000 ] - [ -0.0000650100000000, 0.0020850600000000, 0.0007635300000000 ] - [ -0.0000650100000000, 0.0020850600000000, -0.0007635300000000 ] - [ -0.0002371600000000, 0.0014160500000000, 0.0036937200000000 ] - [ -0.0002371600000000, 0.0014160500000000, -0.0036937200000000 ] - [ -0.0077813100000000, 0.0041376800000000, 0.0237746600000000 ] - [ -0.0077813100000000, 0.0041376800000000, -0.0237746600000000 ] - [ -0.0077763700000000, -0.0050498000000000, -0.0238561700000000 ] - [ -0.0077763700000000, -0.0050498000000000, 0.0238561700000000 ] - [ -0.0002392500000000, 0.0017273700000000, -0.0037241800000000 ] - [ -0.0002392500000000, 0.0017273700000000, 0.0037241800000000 ] - [ -0.0035443900000000, 0.0077623000000000, 0.0000000000000000 ] - [ -0.0010385800000000, 0.0019868100000000, 0.0000000000000000 ] - [ -0.0019662000000000, 0.0046597000000000, 0.0000000000000000 ] - [ -0.0014872100000000, 0.0037281500000000, 0.0000000000000000 ] - [ 0.0024577700000000, 0.0048817300000000, 0.0000000000000000 ] - [ 0.0008385700000000, 0.0019598500000000, 0.0000000000000000 ] - [ -0.0025268000000000, 0.0044798700000000, 0.0000000000000000 ] - [ -0.0023935600000000, 0.0041876200000000, 0.0000000000000000 ] - [ -0.0032452000000000, 0.0049228100000000, 0.0000000000000000 ] - [ -0.0031751700000000, 0.0047681900000000, 0.0000000000000000 ] - [ 0.0019463400000000, 0.0048014600000000, 0.0000000000000000 ] - [ 0.0014692400000000, 0.0036888800000000, 0.0000000000000000 ] - [ 0.0025158700000000, 0.0044359500000000, 0.0000000000000000 ] - [ 0.0023910100000000, 0.0041889800000000, 0.0000000000000000 ] - [ -0.0023949800000000, 0.0046109300000000, 0.0000000000000000 ] - [ -0.0022608200000000, 0.0043195800000000, 0.0000000000000000 ] - [ 0.0032520000000000, 0.0049268900000000, 0.0000000000000000 ] - [ 0.0031734700000000, 0.0047664600000000, 0.0000000000000000 ] - [ 0.0023834000000000, 0.0045682300000000, 0.0000000000000000 ] - [ 0.0022585400000000, 0.0043212500000000, 0.0000000000000000 ] - [ -0.0000651200000000, 0.0020814500000000, -0.0007782900000000 ] - [ -0.0000651200000000, 0.0020814500000000, 0.0007782900000000 ] - [ -0.0000027300000000, 0.0017724100000000, -0.0001934900000000 ] - [ -0.0000027300000000, 0.0017724100000000, 0.0001934900000000 ] - [ -0.0000004100000000, 0.0064864900000000, -0.0000407500000000 ] - [ -0.0000004100000000, 0.0064864900000000, 0.0000407500000000 ] - [ -0.0000012300000000, -0.0025847000000000, 0.0000380600000000 ] - [ -0.0000012300000000, -0.0025847000000000, -0.0000380600000000 ] - [ -0.0000033000000000, 0.0020948800000000, 0.0001869500000000 ] - [ -0.0000033000000000, 0.0020948800000000, -0.0001869500000000 ] - [ 0.0008760600000000, -0.0093634000000000, 0.0000000000000000 ] - [ 0.0000312900000000, -0.0057867600000000, 0.0000000000000000 ] - [ -0.0039145800000000, -0.0155316000000000, 0.0000000000000000 ] - [ 0.0014892000000000, 0.0007890300000000, 0.0000000000000000 ] - [ -0.0039914500000000, -0.0167518300000000, 0.0000000000000000 ] - [ 0.0014965300000000, -0.0003034400000000, 0.0000000000000000 ] - [ 0.0008837700000000, -0.0093849700000000, 0.0000000000000000 ] - [ 0.0000314500000000, -0.0057715300000000, 0.0000000000000000 ] - [ -0.0000653100000000, -0.0075130800000000, 0.0000000000000000 ] - [ 0.0000199800000000, -0.0066198300000000, 0.0000000000000000 ] - [ -0.0000647400000000, -0.0086549800000000, 0.0000000000000000 ] - [ 0.0000195700000000, -0.0077733600000000, 0.0000000000000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000002800000000, 0.0000735800000000, -0.0000026200000000 ] - [ -0.0000000400000000, 0.0000909100000000, 0.0000028000000000 ] - [ -0.0000035800000000, -0.0000354000000000, -0.0000021800000000 ] - [ 0.0000045300000000, 0.0000364900000000, 0.0000049800000000 ] - [ -0.0000679400000000, -0.0009862600000000, 0.0000683800000000 ] - [ 0.0000647400000000, 0.0008300600000000, 0.0000969400000000 ] - [ 0.0000679400000000, 0.0009862600000000, 0.0000683800000000 ] - [ -0.0000647400000000, -0.0008300600000000, 0.0000969400000000 ] - [ 0.0000035800000000, 0.0000354000000000, -0.0000021800000000 ] - [ -0.0000045300000000, -0.0000364900000000, 0.0000049800000000 ] - [ 0.0000002800000000, -0.0000735800000000, -0.0000026200000000 ] - [ 0.0000000400000000, -0.0000909100000000, 0.0000028000000000 ] - [ -0.0015880100000000, -0.0022357900000000, -0.0014448000000000 ] - [ 0.0015924900000000, 0.0020800700000000, -0.0014191700000000 ] - [ 0.0015880100000000, 0.0022357900000000, -0.0014448000000000 ] - [ -0.0015924900000000, -0.0020800700000000, -0.0014191700000000 ] - [ -0.0000001200000000, -0.0000819600000000, -0.0000006400000000 ] - [ -0.0000001400000000, -0.0000824900000000, 0.0000000300000000 ] - [ 0.0000001200000000, 0.0000819600000000, -0.0000006400000000 ] - [ 0.0000001400000000, 0.0000824900000000, 0.0000000300000000 ] - [ -0.0002827900000000, -0.0040998400000000, 0.0115152600000000 ] - [ -0.0000090100000000, -0.0043283200000000, -0.0180117600000000 ] - [ 0.0002827900000000, 0.0040998400000000, 0.0115152600000000 ] - [ 0.0000090100000000, 0.0043283200000000, -0.0180117600000000 ] - [ 0.0000008100000000, -0.0043624300000000, -0.0000011600000000 ] - [ 0.0000012800000000, -0.0043603700000000, -0.0000014200000000 ] - [ -0.0000008100000000, 0.0043624300000000, -0.0000011600000000 ] - [ -0.0000012800000000, 0.0043603700000000, -0.0000014200000000 ] - [ -0.0001038200000000, -0.0001544500000000, 0.0000019800000000 ] - [ -0.0001062100000000, -0.0001549800000000, 0.0000196800000000 ] - [ 0.0000904000000000, 0.0001719300000000, 0.0000891400000000 ] - [ 0.0001098900000000, 0.0001471100000000, 0.0001883800000000 ] - [ 0.0001031700000000, -0.0001544000000000, -0.0000159600000000 ] - [ 0.0001063900000000, -0.0001548400000000, 0.0000091200000000 ] - [ -0.0001532700000000, 0.0000269000000000, 0.0019465200000000 ] - [ -0.0000394800000000, -0.0001053300000000, 0.0024912200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0344609600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026719100000000 ] - [ -0.0000965900000000, 0.0001667000000000, -0.0001542300000000 ] - [ -0.0001091300000000, 0.0001472500000000, 0.0000585600000000 ] - [ 0.0000741700000000, -0.0000331600000000, -0.0037029100000000 ] - [ 0.0000574900000000, -0.0000851800000000, 0.0010827300000000 ] - [ 0.0001532700000000, -0.0000269000000000, 0.0019465200000000 ] - [ 0.0000394800000000, 0.0001053300000000, 0.0024912200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0073898500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019951000000000 ] - [ -0.0000741700000000, 0.0000331600000000, -0.0037029100000000 ] - [ -0.0000574900000000, 0.0000851800000000, 0.0010827300000000 ] - [ -0.0000066300000000, 0.0001075500000000, 0.0000088500000000 ] - [ 0.0000065200000000, -0.0001097000000000, 0.0000193700000000 ] - [ -0.0001086200000000, 0.0000814700000000, 0.0003229900000000 ] - [ 0.0001107200000000, -0.0004095100000000, 0.0002888400000000 ] - [ -0.0081256500000000, 0.0129467400000000, 0.0125938800000000 ] - [ 0.0082705700000000, -0.0040327000000000, 0.0126869400000000 ] - [ 0.0081256500000000, -0.0129467400000000, 0.0125938800000000 ] - [ -0.0082705700000000, 0.0040327000000000, 0.0126869400000000 ] - [ 0.0001086200000000, -0.0000814700000000, 0.0003229900000000 ] - [ -0.0001107200000000, 0.0004095100000000, 0.0002888400000000 ] - [ -0.0000904000000000, -0.0001719300000000, 0.0000891400000000 ] - [ -0.0001098900000000, -0.0001471100000000, 0.0001883800000000 ] - [ 0.0001038200000000, 0.0001544500000000, 0.0000019800000000 ] - [ 0.0001062100000000, 0.0001549800000000, 0.0000196800000000 ] - [ 0.0000965900000000, -0.0001667000000000, -0.0001542300000000 ] - [ 0.0001091300000000, -0.0001472500000000, 0.0000585600000000 ] - [ -0.0000674000000000, -0.0000676900000000, 0.0000004100000000 ] - [ -0.0000670400000000, -0.0000664400000000, 0.0000025100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000007500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000011400000000 ] - [ -0.0001031700000000, 0.0001544000000000, -0.0000159600000000 ] - [ -0.0001063900000000, 0.0001548400000000, 0.0000091200000000 ] - [ 0.0000677700000000, -0.0000683100000000, -0.0000029100000000 ] - [ 0.0000669300000000, -0.0000667000000000, 0.0000020600000000 ] - [ 0.0000674000000000, 0.0000676900000000, 0.0000004100000000 ] - [ 0.0000670400000000, 0.0000664400000000, 0.0000025100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000020400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000007200000000 ] - [ -0.0000677700000000, 0.0000683100000000, -0.0000029100000000 ] - [ -0.0000669300000000, 0.0000667000000000, 0.0000020600000000 ] - [ 0.0000066300000000, -0.0001075500000000, 0.0000088500000000 ] - [ -0.0000065200000000, 0.0001097000000000, 0.0000193700000000 ] - [ 0.0000005800000000, -0.0001643200000000, -0.0000018600000000 ] - [ -0.0000001100000000, -0.0001562800000000, 0.0000055100000000 ] - [ 0.0000003400000000, 0.0045339100000000, -0.0000004100000000 ] - [ 0.0000006000000000, 0.0045361300000000, 0.0000006700000000 ] - [ -0.0000003400000000, -0.0045339100000000, -0.0000004100000000 ] - [ -0.0000006000000000, -0.0045361300000000, 0.0000006700000000 ] - [ -0.0000005800000000, 0.0001643200000000, -0.0000018600000000 ] - [ 0.0000001100000000, 0.0001562800000000, 0.0000055100000000 ] - [ 0.0000014900000000, -0.0000087100000000, 0.0000849100000000 ] - [ -0.0000004900000000, 0.0000061500000000, -0.0001184300000000 ] - [ 0.0000198300000000, 0.0005347900000000, 0.0005940900000000 ] - [ -0.0000117000000000, 0.0006089600000000, -0.0007085100000000 ] - [ -0.0000198300000000, -0.0005347900000000, 0.0005940900000000 ] - [ 0.0000117000000000, -0.0006089600000000, -0.0007085100000000 ] - [ -0.0000014900000000, 0.0000087100000000, 0.0000849100000000 ] - [ 0.0000004900000000, -0.0000061500000000, -0.0001184300000000 ] - [ 0.0000003800000000, 0.0005751800000000, 0.0000029700000000 ] - [ 0.0000000100000000, 0.0005729600000000, -0.0000084100000000 ] - [ -0.0000003800000000, -0.0005751800000000, 0.0000029700000000 ] - [ -0.0000000100000000, -0.0005729600000000, -0.0000084100000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0023102500000000, 0.0001090200000000, 0.0000000000000000 ] - [ 0.0013194100000000, 0.0000882700000000, 0.0000000000000000 ] - [ 0.0050640300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0020362900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0023102500000000, -0.0001090200000000, 0.0000000000000000 ] - [ 0.0013194100000000, -0.0000882700000000, 0.0000000000000000 ] - [ 0.0000010100000000, 0.0000948200000000, 0.0000000000000000 ] - [ 0.0000010100000000, 0.0000959200000000, 0.0000000000000000 ] - [ -0.0000002000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000003900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000010100000000, -0.0000948200000000, 0.0000000000000000 ] - [ 0.0000010100000000, -0.0000959200000000, 0.0000000000000000 ] - [ 0.0000293900000000, -0.0000760100000000, 0.0000000000000000 ] - [ 0.0000257600000000, -0.0000780100000000, 0.0000000000000000 ] - [ 0.0000028600000000, 0.0000801600000000, 0.0000000000000000 ] - [ 0.0000030600000000, 0.0000787700000000, 0.0000000000000000 ] - [ 0.0000028600000000, -0.0000801600000000, 0.0000000000000000 ] - [ 0.0000030600000000, -0.0000787700000000, 0.0000000000000000 ] - [ 0.0000293900000000, 0.0000760100000000, 0.0000000000000000 ] - [ 0.0000257600000000, 0.0000780100000000, 0.0000000000000000 ] - [ -0.0001950600000000, -0.0043575100000000, 0.0000002500000000 ] - [ -0.0001950600000000, -0.0043575100000000, -0.0000002500000000 ] - [ -0.0000667000000000, 0.0043562500000000, -0.0000001100000000 ] - [ -0.0000667000000000, 0.0043562500000000, 0.0000001100000000 ] - [ -0.0000667000000000, -0.0043562500000000, -0.0000001100000000 ] - [ -0.0000667000000000, -0.0043562500000000, 0.0000001100000000 ] - [ -0.0001950600000000, 0.0043575100000000, 0.0000002500000000 ] - [ -0.0001950600000000, 0.0043575100000000, -0.0000002500000000 ] - [ 0.0044616900000000, -0.0064793000000000, 0.0075843100000000 ] - [ 0.0044616900000000, -0.0064793000000000, -0.0075843100000000 ] - [ 0.0047215600000000, -0.0061605900000000, -0.0075058800000000 ] - [ 0.0047215600000000, -0.0061605900000000, 0.0075058800000000 ] - [ 0.0047215600000000, 0.0061605900000000, -0.0075058800000000 ] - [ 0.0047215600000000, 0.0061605900000000, 0.0075058800000000 ] - [ 0.0001670300000000, -0.0001462700000000, -0.0000877000000000 ] - [ 0.0001670300000000, -0.0001462700000000, 0.0000877000000000 ] - [ 0.0000591300000000, -0.0000651500000000, -0.0000073500000000 ] - [ 0.0000591300000000, -0.0000651500000000, 0.0000073500000000 ] - [ 0.0044616900000000, 0.0064793000000000, 0.0075843100000000 ] - [ 0.0044616900000000, 0.0064793000000000, -0.0075843100000000 ] - [ 0.0002952600000000, 0.0000156800000000, 0.0000885900000000 ] - [ 0.0002952600000000, 0.0000156800000000, -0.0000885900000000 ] - [ 0.0000648600000000, 0.0000650800000000, -0.0000007900000000 ] - [ 0.0000648600000000, 0.0000650800000000, 0.0000007900000000 ] - [ 0.0000595800000000, 0.0000654500000000, 0.0000060600000000 ] - [ 0.0000595800000000, 0.0000654500000000, -0.0000060600000000 ] - [ -0.0000541100000000, 0.0000715000000000, -0.0000002300000000 ] - [ -0.0000541100000000, 0.0000715000000000, 0.0000002300000000 ] - [ -0.0631444200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0024500300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0009156900000000, -0.0001480400000000, 0.0000000000000000 ] - [ 0.0018791400000000, -0.0001610900000000, 0.0000000000000000 ] - [ 0.0001328000000000, 0.0045419700000000, 0.0000000000000000 ] - [ 0.0000886600000000, 0.0045428400000000, 0.0000000000000000 ] - [ 0.0000109800000000, -0.0045441000000000, 0.0000000000000000 ] - [ 0.0000104000000000, -0.0045439300000000, 0.0000000000000000 ] - [ 0.0000020700000000, 0.0001604400000000, 0.0000000000000000 ] - [ 0.0000018900000000, 0.0001608800000000, 0.0000000000000000 ] - [ -0.0001020600000000, -0.0001526800000000, 0.0000003100000000 ] - [ -0.0001020600000000, -0.0001526800000000, -0.0000003100000000 ] - [ 0.0001034300000000, 0.0001508000000000, 0.0000001100000000 ] - [ 0.0001034300000000, 0.0001508000000000, -0.0000001100000000 ] - [ 0.0001034300000000, -0.0001508000000000, 0.0000001100000000 ] - [ 0.0001034300000000, -0.0001508000000000, -0.0000001100000000 ] - [ -0.0000541100000000, -0.0000715000000000, -0.0000002300000000 ] - [ -0.0000541100000000, -0.0000715000000000, 0.0000002300000000 ] - [ 0.0000595800000000, -0.0000654500000000, 0.0000060600000000 ] - [ 0.0000595800000000, -0.0000654500000000, -0.0000060600000000 ] - [ -0.0001020600000000, 0.0001526800000000, 0.0000003100000000 ] - [ -0.0001020600000000, 0.0001526800000000, -0.0000003100000000 ] - [ 0.0000648600000000, -0.0000650800000000, -0.0000007900000000 ] - [ 0.0000648600000000, -0.0000650800000000, 0.0000007900000000 ] - [ 0.0002952600000000, -0.0000156800000000, 0.0000885900000000 ] - [ 0.0002952600000000, -0.0000156800000000, -0.0000885900000000 ] - [ 0.0000591300000000, 0.0000651500000000, -0.0000073500000000 ] - [ 0.0000591300000000, 0.0000651500000000, 0.0000073500000000 ] - [ 0.0001670300000000, 0.0001462700000000, -0.0000877000000000 ] - [ 0.0001670300000000, 0.0001462700000000, 0.0000877000000000 ] - [ 0.0000006100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000008200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000020700000000, -0.0001604400000000, 0.0000000000000000 ] - [ 0.0000018900000000, -0.0001608800000000, 0.0000000000000000 ] - [ 0.0000109800000000, 0.0045441000000000, 0.0000000000000000 ] - [ 0.0000104000000000, 0.0045439300000000, 0.0000000000000000 ] - [ 0.0001328000000000, -0.0045419700000000, 0.0000000000000000 ] - [ 0.0000886600000000, -0.0045428400000000, 0.0000000000000000 ] - [ 0.0009156900000000, 0.0001480400000000, 0.0000000000000000 ] - [ 0.0018791400000000, 0.0001610900000000, 0.0000000000000000 ] - [ 0.0145069900000000, 0.0000000000000000, -0.0000681000000000 ] - [ 0.0145069900000000, 0.0000000000000000, 0.0000681000000000 ] - [ -0.0057139000000000, 0.0005679200000000, -0.0000129600000000 ] - [ -0.0057139000000000, 0.0005679200000000, 0.0000129600000000 ] - [ -0.0000038800000000, -0.0005784800000000, 0.0000001700000000 ] - [ -0.0000038800000000, -0.0005784800000000, -0.0000001700000000 ] - [ -0.0000021300000000, 0.0000000000000000, 0.0000000800000000 ] - [ -0.0000021300000000, 0.0000000000000000, -0.0000000800000000 ] - [ -0.0000038800000000, 0.0005784800000000, 0.0000001700000000 ] - [ -0.0000038800000000, 0.0005784800000000, -0.0000001700000000 ] - [ -0.0057139000000000, -0.0005679200000000, -0.0000129600000000 ] - [ -0.0057139000000000, -0.0005679200000000, 0.0000129600000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0055028400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0010233500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0096675000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0072053500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0059818400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0008741100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0011489000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0011458300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0012023200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0012007400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0013142200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0013132100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0006471100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0005272600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0005108000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004378400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0006863700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0006092000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004806300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003582600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0084281100000000, -0.0014739500000000 ] - [ 0.0000000000000000, -0.0084281100000000, 0.0014739500000000 ] - [ 0.0000000000000000, -0.0001595500000000, -0.0000054300000000 ] - [ 0.0000000000000000, -0.0001595500000000, 0.0000054300000000 ] - [ 0.0000000000000000, -0.0088623900000000, 0.0000050800000000 ] - [ 0.0000000000000000, -0.0088623900000000, -0.0000050800000000 ] - [ 0.0000000000000000, 0.0002718400000000, 0.0014447100000000 ] - [ 0.0000000000000000, 0.0002718400000000, -0.0014447100000000 ] - [ -0.0039188200000000, -0.0015174400000000, -0.0082224400000000 ] - [ -0.0039188200000000, -0.0015174400000000, 0.0082224400000000 ] - [ -0.0037100700000000, -0.0012766800000000, 0.0082781200000000 ] - [ -0.0037100700000000, -0.0012766800000000, -0.0082781200000000 ] - [ 0.0039188200000000, -0.0015174400000000, -0.0082224400000000 ] - [ 0.0039188200000000, -0.0015174400000000, 0.0082224400000000 ] - [ -0.0002786500000000, 0.0009943200000000, 0.0008302100000000 ] - [ -0.0002786500000000, 0.0009943200000000, -0.0008302100000000 ] - [ -0.0014719300000000, 0.0020822700000000, 0.0001089800000000 ] - [ -0.0014719300000000, 0.0020822700000000, -0.0001089800000000 ] - [ 0.0037100700000000, -0.0012766800000000, 0.0082781200000000 ] - [ 0.0037100700000000, -0.0012766800000000, -0.0082781200000000 ] - [ 0.0002786500000000, 0.0009943200000000, 0.0008302100000000 ] - [ 0.0002786500000000, 0.0009943200000000, -0.0008302100000000 ] - [ -0.0010008100000000, 0.0020030300000000, 0.0000028000000000 ] - [ -0.0010008100000000, 0.0020030300000000, -0.0000028000000000 ] - [ 0.0014719300000000, 0.0020822700000000, 0.0001089800000000 ] - [ 0.0014719300000000, 0.0020822700000000, -0.0001089800000000 ] - [ 0.0010008100000000, 0.0020030300000000, 0.0000028000000000 ] - [ 0.0010008100000000, 0.0020030300000000, -0.0000028000000000 ] - [ 0.0000000000000000, -0.0737390300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0009235900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0008183600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001336200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0075903700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0051805300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0036436000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0036397600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0010341300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0010304100000000, 0.0000000000000000 ] - [ -0.0009193800000000, 0.0016524500000000, 0.0000004800000000 ] - [ -0.0009193800000000, 0.0016524500000000, -0.0000004800000000 ] - [ -0.0007109600000000, 0.0019580200000000, 0.0000003100000000 ] - [ -0.0007109600000000, 0.0019580200000000, -0.0000003100000000 ] - [ 0.0009193800000000, 0.0016524500000000, 0.0000004800000000 ] - [ 0.0009193800000000, 0.0016524500000000, -0.0000004800000000 ] - [ -0.0011399200000000, 0.0018931600000000, -0.0000036000000000 ] - [ -0.0011399200000000, 0.0018931600000000, 0.0000036000000000 ] - [ -0.0014722400000000, 0.0020853000000000, -0.0001086100000000 ] - [ -0.0014722400000000, 0.0020853000000000, 0.0001086100000000 ] - [ 0.0007109600000000, 0.0019580200000000, 0.0000003100000000 ] - [ 0.0007109600000000, 0.0019580200000000, -0.0000003100000000 ] - [ 0.0011399200000000, 0.0018931600000000, -0.0000036000000000 ] - [ 0.0011399200000000, 0.0018931600000000, 0.0000036000000000 ] - [ -0.0001455200000000, 0.0011119200000000, -0.0008156300000000 ] - [ -0.0001455200000000, 0.0011119200000000, 0.0008156300000000 ] - [ 0.0014722400000000, 0.0020853000000000, -0.0001086100000000 ] - [ 0.0014722400000000, 0.0020853000000000, 0.0001086100000000 ] - [ 0.0001455200000000, 0.0011119200000000, -0.0008156300000000 ] - [ 0.0001455200000000, 0.0011119200000000, 0.0008156300000000 ] - [ 0.0000000000000000, 0.0009731900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0009731900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0007249800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0007200100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0054429400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0054465200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0015369900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0038985100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004836000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004557600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0272138900000000, -0.0000675600000000 ] - [ 0.0000000000000000, 0.0272138900000000, 0.0000675600000000 ] - [ 0.0000000000000000, -0.0002479800000000, -0.0007010700000000 ] - [ 0.0000000000000000, -0.0002479800000000, 0.0007010700000000 ] - [ 0.0000000000000000, -0.0039797900000000, -0.0000030000000000 ] - [ 0.0000000000000000, -0.0039797900000000, 0.0000030000000000 ] - [ 0.0000000000000000, -0.0033423300000000, -0.0000001400000000 ] - [ 0.0000000000000000, -0.0033423300000000, 0.0000001400000000 ] - [ 0.0000000000000000, -0.0028488400000000, 0.0000010900000000 ] - [ 0.0000000000000000, -0.0028488400000000, -0.0000010900000000 ] - [ 0.0000000000000000, -0.0014367300000000, 0.0006787300000000 ] - [ 0.0000000000000000, -0.0014367300000000, -0.0006787300000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000209500000000, 0.0091554200000000 ] - [ 0.0000000000000000, 0.0001183400000000, -0.0058321500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0163699100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101592700000000 ] - [ 0.0000000000000000, 0.0000209500000000, 0.0091554200000000 ] - [ 0.0000000000000000, -0.0001183400000000, -0.0058321500000000 ] - [ 0.0000000000000000, 0.0000875100000000, 0.0000788200000000 ] - [ 0.0000000000000000, 0.0000887600000000, -0.0000797400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000338900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000348200000000 ] - [ 0.0000000000000000, -0.0000875100000000, 0.0000788200000000 ] - [ 0.0000000000000000, -0.0000887600000000, -0.0000797400000000 ] - [ 0.0000000000000000, -0.0000760800000000, 0.0003946800000000 ] - [ 0.0000000000000000, -0.0000812300000000, -0.0003885600000000 ] - [ 0.0000000000000000, 0.0000810800000000, 0.0001120400000000 ] - [ 0.0000000000000000, 0.0000796300000000, -0.0001129900000000 ] - [ 0.0000000000000000, -0.0000810800000000, 0.0001120400000000 ] - [ 0.0000000000000000, -0.0000796300000000, -0.0001129900000000 ] - [ 0.0000000000000000, 0.0000760800000000, 0.0003946800000000 ] - [ 0.0000000000000000, 0.0000812300000000, -0.0003885600000000 ] - [ 0.0000000000000000, -0.0068558300000000, -0.0000543400000000 ] - [ 0.0000000000000000, -0.0018756000000000, -0.0000840800000000 ] - [ 0.0000000000000000, 0.0035702100000000, -0.0000100500000000 ] - [ 0.0000000000000000, 0.0051511200000000, -0.0000098000000000 ] - [ 0.0000000000000000, -0.0035702100000000, -0.0000100500000000 ] - [ 0.0000000000000000, -0.0051511200000000, -0.0000098000000000 ] - [ 0.0000000000000000, 0.0068558300000000, -0.0000543400000000 ] - [ 0.0000000000000000, 0.0018756000000000, -0.0000840800000000 ] - [ 0.0159597000000000, -0.0173314900000000, 0.0112912500000000 ] - [ -0.0159477500000000, 0.0168160800000000, 0.0113584000000000 ] - [ -0.0159597000000000, 0.0173314900000000, 0.0112912500000000 ] - [ 0.0159477500000000, -0.0168160800000000, 0.0113584000000000 ] - [ -0.0159597000000000, -0.0173314900000000, 0.0112912500000000 ] - [ 0.0159477500000000, 0.0168160800000000, 0.0113584000000000 ] - [ -0.0017588900000000, 0.0026295500000000, 0.0001345400000000 ] - [ 0.0016038400000000, -0.0027368300000000, 0.0001565700000000 ] - [ -0.0004103400000000, 0.0007723400000000, 0.0000122200000000 ] - [ 0.0004105400000000, -0.0007709100000000, 0.0000159600000000 ] - [ 0.0159597000000000, 0.0173314900000000, 0.0112912500000000 ] - [ -0.0159477500000000, -0.0168160800000000, 0.0113584000000000 ] - [ 0.0017588900000000, 0.0026295500000000, 0.0001345400000000 ] - [ -0.0016038400000000, -0.0027368300000000, 0.0001565700000000 ] - [ -0.0000318800000000, 0.0002915200000000, 0.0000011700000000 ] - [ 0.0001577200000000, -0.0001638900000000, 0.0000019500000000 ] - [ 0.0004103400000000, 0.0007723400000000, 0.0000122200000000 ] - [ -0.0004105400000000, -0.0007709100000000, 0.0000159600000000 ] - [ 0.0000318800000000, 0.0002915200000000, 0.0000011700000000 ] - [ -0.0001577200000000, -0.0001638900000000, 0.0000019500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1297874400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0678303000000000 ] - [ 0.0000000000000000, -0.0001640000000000, -0.0106013700000000 ] - [ 0.0000000000000000, -0.0001426400000000, 0.0119475000000000 ] - [ 0.0000000000000000, 0.0045196900000000, -0.0011385600000000 ] - [ 0.0000000000000000, 0.0045453600000000, 0.0011774400000000 ] - [ 0.0000000000000000, -0.0045431800000000, -0.0003531300000000 ] - [ 0.0000000000000000, -0.0045430000000000, 0.0003609600000000 ] - [ 0.0000000000000000, 0.0001581500000000, -0.0000932900000000 ] - [ 0.0000000000000000, 0.0001587700000000, 0.0000943900000000 ] - [ -0.0001178000000000, -0.0001141300000000, 0.0000003400000000 ] - [ -0.0000865700000000, -0.0001909500000000, -0.0000005100000000 ] - [ 0.0001178000000000, 0.0001141300000000, 0.0000003400000000 ] - [ 0.0000865700000000, 0.0001909500000000, -0.0000005100000000 ] - [ 0.0001178000000000, -0.0001141300000000, 0.0000003400000000 ] - [ 0.0000865700000000, -0.0001909500000000, -0.0000005100000000 ] - [ 0.0000318800000000, -0.0002915200000000, 0.0000011700000000 ] - [ -0.0001577200000000, 0.0001638900000000, 0.0000019500000000 ] - [ 0.0004103400000000, -0.0007723400000000, 0.0000122200000000 ] - [ -0.0004105400000000, 0.0007709100000000, 0.0000159600000000 ] - [ -0.0001178000000000, 0.0001141300000000, 0.0000003400000000 ] - [ -0.0000865700000000, 0.0001909500000000, -0.0000005100000000 ] - [ -0.0000318800000000, -0.0002915200000000, 0.0000011700000000 ] - [ 0.0001577200000000, 0.0001638900000000, 0.0000019500000000 ] - [ 0.0017588900000000, -0.0026295500000000, 0.0001345400000000 ] - [ -0.0016038400000000, 0.0027368300000000, 0.0001565700000000 ] - [ -0.0004103400000000, -0.0007723400000000, 0.0000122200000000 ] - [ 0.0004105400000000, 0.0007709100000000, 0.0000159600000000 ] - [ -0.0017588900000000, -0.0026295500000000, 0.0001345400000000 ] - [ 0.0016038400000000, 0.0027368300000000, 0.0001565700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000460900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000459900000000 ] - [ 0.0000000000000000, -0.0001581500000000, -0.0000932900000000 ] - [ 0.0000000000000000, -0.0001587700000000, 0.0000943900000000 ] - [ 0.0000000000000000, 0.0045431800000000, -0.0003531300000000 ] - [ 0.0000000000000000, 0.0045430000000000, 0.0003609600000000 ] - [ 0.0000000000000000, -0.0045196900000000, -0.0011385600000000 ] - [ 0.0000000000000000, -0.0045453600000000, 0.0011774400000000 ] - [ 0.0000000000000000, 0.0001640000000000, -0.0106013700000000 ] - [ 0.0000000000000000, 0.0001426400000000, 0.0119475000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0199725500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0241674100000000 ] - [ 0.0000000000000000, -0.0171113200000000, -0.0002495800000000 ] - [ 0.0000000000000000, 0.0181529200000000, -0.0003085800000000 ] - [ 0.0000000000000000, -0.0007721800000000, -0.0000023300000000 ] - [ 0.0000000000000000, -0.0003908100000000, -0.0000013000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000011300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000017400000000 ] - [ 0.0000000000000000, 0.0007721800000000, -0.0000023300000000 ] - [ 0.0000000000000000, 0.0003908100000000, -0.0000013000000000 ] - [ 0.0000000000000000, 0.0171113200000000, -0.0002495800000000 ] - [ 0.0000000000000000, -0.0181529200000000, -0.0003085800000000 ]- atom: 51 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000643200000000, 0.0000934000000000, 0.0000000000000000 ] - [ 0.0000396400000000, 0.0000918500000000, 0.0000000000000000 ] - [ 0.0022604600000000, 0.0000038300000000, 0.0000000000000000 ] - [ 0.0012063700000000, -0.0000106700000000, 0.0000000000000000 ] - [ 0.0040484100000000, -0.0001021300000000, 0.0000000000000000 ] - [ -0.0020351000000000, -0.0000964000000000, 0.0000000000000000 ] - [ 0.0000134500000000, 0.0000852100000000, 0.0000000000000000 ] - [ 0.0000143400000000, 0.0000855100000000, 0.0000000000000000 ] - [ 0.0000001000000000, 0.0000018300000000, 0.0000000000000000 ] - [ 0.0000003000000000, 0.0000033500000000, 0.0000000000000000 ] - [ -0.0000000900000000, -0.0000870100000000, 0.0000000000000000 ] - [ 0.0000003700000000, -0.0000894600000000, 0.0000000000000000 ] - [ 0.0016396300000000, -0.0000762600000000, 0.0000000000000000 ] - [ 0.0005676400000000, -0.0000778300000000, 0.0000000000000000 ] - [ 0.0000137000000000, 0.0000909500000000, 0.0000000000000000 ] - [ 0.0000195900000000, 0.0000852800000000, 0.0000000000000000 ] - [ -0.0000002000000000, -0.0000865500000000, 0.0000000000000000 ] - [ -0.0000001600000000, -0.0000846700000000, 0.0000000000000000 ] - [ 0.0000032700000000, 0.0000823900000000, 0.0000000000000000 ] - [ 0.0000034800000000, 0.0000858600000000, 0.0000000000000000 ] - [ -0.0074127700000000, -0.0043477500000000, -0.0000188400000000 ] - [ -0.0074127700000000, -0.0043477500000000, 0.0000188400000000 ] - [ -0.0002637200000000, 0.0043402900000000, 0.0000006000000000 ] - [ -0.0002637200000000, 0.0043402900000000, -0.0000006000000000 ] - [ -0.0000020500000000, -0.0043495200000000, -0.0000015200000000 ] - [ -0.0000020500000000, -0.0043495200000000, 0.0000015200000000 ] - [ -0.0000487900000000, 0.0043455700000000, -0.0000021200000000 ] - [ -0.0000487900000000, 0.0043455700000000, 0.0000021200000000 ] - [ 0.0001460100000000, -0.0002772400000000, 0.0000843600000000 ] - [ 0.0001460100000000, -0.0002772400000000, -0.0000843600000000 ] - [ 0.0047778000000000, -0.0061044700000000, 0.0074225900000000 ] - [ 0.0047778000000000, -0.0061044700000000, -0.0074225900000000 ] - [ 0.0003586700000000, -0.0000198600000000, -0.0000847400000000 ] - [ 0.0003586700000000, -0.0000198600000000, 0.0000847400000000 ] - [ 0.0052356400000000, -0.0064904600000000, -0.0075548000000000 ] - [ 0.0052356400000000, -0.0064904600000000, 0.0075548000000000 ] - [ 0.0005135100000000, -0.0002393900000000, -0.0001089400000000 ] - [ 0.0005135100000000, -0.0002393900000000, 0.0001089400000000 ] - [ 0.0046204800000000, 0.0063845200000000, -0.0073433400000000 ] - [ 0.0046204800000000, 0.0063845200000000, 0.0073433400000000 ] - [ 0.0053221000000000, 0.0063982600000000, 0.0076326000000000 ] - [ 0.0053221000000000, 0.0063982600000000, -0.0076326000000000 ] - [ 0.0001267100000000, -0.0000249400000000, -0.0000048800000000 ] - [ 0.0001267100000000, -0.0000249400000000, 0.0000048800000000 ] - [ 0.0005126400000000, 0.0002373300000000, 0.0001101500000000 ] - [ 0.0005126400000000, 0.0002373300000000, -0.0001101500000000 ] - [ -0.0000074100000000, 0.0001394600000000, 0.0000043200000000 ] - [ -0.0000074100000000, 0.0001394600000000, -0.0000043200000000 ] - [ 0.0009156900000000, -0.0000139900000000, 0.0000000000000000 ] - [ 0.0018787700000000, 0.0000002000000000, 0.0000000000000000 ] - [ -0.0624855900000000, -0.0001511400000000, 0.0000000000000000 ] - [ 0.0026241500000000, -0.0001564300000000, 0.0000000000000000 ] - [ 0.0012099300000000, 0.0045587500000000, 0.0000000000000000 ] - [ 0.0022995900000000, 0.0045441300000000, 0.0000000000000000 ] - [ 0.0000848100000000, -0.0045449300000000, 0.0000000000000000 ] - [ 0.0000877600000000, -0.0045455400000000, 0.0000000000000000 ] - [ 0.0000199900000000, 0.0001557100000000, 0.0000000000000000 ] - [ 0.0000198300000000, 0.0001560500000000, 0.0000000000000000 ] - [ -0.0001024400000000, -0.0001518000000000, -0.0000005800000000 ] - [ -0.0001024400000000, -0.0001518000000000, 0.0000005800000000 ] - [ 0.0001080100000000, 0.0001479300000000, 0.0000004700000000 ] - [ 0.0001080100000000, 0.0001479300000000, -0.0000004700000000 ] - [ 0.0001106300000000, -0.0001472600000000, 0.0000002200000000 ] - [ 0.0001106300000000, -0.0001472600000000, -0.0000002200000000 ] - [ -0.0000686400000000, -0.0000563900000000, 0.0000000000000000 ] - [ -0.0000686400000000, -0.0000563900000000, 0.0000000000000000 ] - [ 0.0000032400000000, -0.0000015300000000, -0.0000011100000000 ] - [ 0.0000032400000000, -0.0000015300000000, 0.0000011100000000 ] - [ -0.0001067600000000, 0.0001502300000000, 0.0000002300000000 ] - [ -0.0001067600000000, 0.0001502300000000, -0.0000002300000000 ] - [ 0.0000698900000000, -0.0000545200000000, -0.0000006200000000 ] - [ 0.0000698900000000, -0.0000545200000000, 0.0000006200000000 ] - [ 0.0001114100000000, 0.0000040500000000, 0.0000040000000000 ] - [ 0.0001114100000000, 0.0000040500000000, -0.0000040000000000 ] - [ 0.0000050000000000, 0.0000040300000000, -0.0000014200000000 ] - [ 0.0000050000000000, 0.0000040300000000, 0.0000014200000000 ] - [ -0.0000343200000000, 0.0001009000000000, -0.0000053700000000 ] - [ -0.0000343200000000, 0.0001009000000000, 0.0000053700000000 ] - [ 0.0000016300000000, 0.0000000100000000, 0.0000000000000000 ] - [ 0.0000019900000000, 0.0000002700000000, 0.0000000000000000 ] - [ 0.0000007900000000, -0.0001551500000000, 0.0000000000000000 ] - [ 0.0000005900000000, -0.0001557800000000, 0.0000000000000000 ] - [ 0.0000008800000000, 0.0045464900000000, 0.0000000000000000 ] - [ 0.0000013400000000, 0.0045454000000000, 0.0000000000000000 ] - [ 0.0000112000000000, -0.0045457200000000, 0.0000000000000000 ] - [ 0.0000114800000000, -0.0045446400000000, 0.0000000000000000 ] - [ 0.0001407500000000, 0.0001582300000000, 0.0000000000000000 ] - [ 0.0000917500000000, 0.0001570100000000, 0.0000000000000000 ] - [ -0.0058211300000000, 0.0000062100000000, -0.0000174100000000 ] - [ -0.0058211300000000, 0.0000062100000000, 0.0000174100000000 ] - [ 0.0147310400000000, 0.0005648500000000, -0.0000644100000000 ] - [ 0.0147310400000000, 0.0005648500000000, 0.0000644100000000 ] - [ -0.0000760700000000, -0.0005676800000000, -0.0000008800000000 ] - [ -0.0000760700000000, -0.0005676800000000, 0.0000008800000000 ] - [ -0.0000041200000000, 0.0000054800000000, -0.0000000500000000 ] - [ -0.0000041200000000, 0.0000054800000000, 0.0000000500000000 ] - [ -0.0000018900000000, 0.0005653000000000, -0.0000012100000000 ] - [ -0.0000018900000000, 0.0005653000000000, 0.0000012100000000 ] - [ -0.0001911100000000, -0.0005652700000000, 0.0000001300000000 ] - [ -0.0001911100000000, -0.0005652700000000, -0.0000001300000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0011250400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0008369300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0033236500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0009440900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0097639000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0070118800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0010463100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0010303700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0010787400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0010760500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0011812400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0011824700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0023003100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001802900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004242100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004197500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0005602900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0005577600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004711300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003784700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0085786900000000, -0.0003180400000000 ] - [ 0.0000000000000000, -0.0085786900000000, 0.0003180400000000 ] - [ 0.0000000000000000, 0.0002471200000000, -0.0001873900000000 ] - [ 0.0000000000000000, 0.0002471200000000, 0.0001873900000000 ] - [ 0.0000000000000000, -0.0083841300000000, 0.0000024000000000 ] - [ 0.0000000000000000, -0.0083841300000000, -0.0000024000000000 ] - [ 0.0000000000000000, 0.0003283600000000, 0.0000056700000000 ] - [ 0.0000000000000000, 0.0003283600000000, -0.0000056700000000 ] - [ -0.0000661300000000, 0.0006329400000000, -0.0007913600000000 ] - [ -0.0000661300000000, 0.0006329400000000, 0.0007913600000000 ] - [ -0.0037489900000000, -0.0011559500000000, -0.0079192000000000 ] - [ -0.0037489900000000, -0.0011559500000000, 0.0079192000000000 ] - [ 0.0000661300000000, 0.0006329400000000, -0.0007913600000000 ] - [ 0.0000661300000000, 0.0006329400000000, 0.0007913600000000 ] - [ -0.0052666500000000, -0.0004797400000000, 0.0088352200000000 ] - [ -0.0052666500000000, -0.0004797400000000, -0.0088352200000000 ] - [ -0.0011590900000000, 0.0015674400000000, 0.0002469600000000 ] - [ -0.0011590900000000, 0.0015674400000000, -0.0002469600000000 ] - [ 0.0037489900000000, -0.0011559500000000, -0.0079192000000000 ] - [ 0.0037489900000000, -0.0011559500000000, 0.0079192000000000 ] - [ 0.0052666500000000, -0.0004797400000000, 0.0088352200000000 ] - [ 0.0052666500000000, -0.0004797400000000, -0.0088352200000000 ] - [ -0.0009001900000000, 0.0017685900000000, 0.0000128100000000 ] - [ -0.0009001900000000, 0.0017685900000000, -0.0000128100000000 ] - [ 0.0011590900000000, 0.0015674400000000, 0.0002469600000000 ] - [ 0.0011590900000000, 0.0015674400000000, -0.0002469600000000 ] - [ 0.0009001900000000, 0.0017685900000000, 0.0000128100000000 ] - [ 0.0009001900000000, 0.0017685900000000, -0.0000128100000000 ] - [ 0.0000000000000000, -0.0006403700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002990300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0607035500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002578400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0044797000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0055855800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0035504600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0036986400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0009522100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0009528000000000, 0.0000000000000000 ] - [ -0.0008368100000000, 0.0014571700000000, 0.0000009900000000 ] - [ -0.0008368100000000, 0.0014571700000000, -0.0000009900000000 ] - [ -0.0006243600000000, 0.0017685400000000, 0.0000006600000000 ] - [ -0.0006243600000000, 0.0017685400000000, -0.0000006600000000 ] - [ 0.0008368100000000, 0.0014571700000000, 0.0000009900000000 ] - [ 0.0008368100000000, 0.0014571700000000, -0.0000009900000000 ] - [ -0.0010284500000000, 0.0016994400000000, -0.0000004000000000 ] - [ -0.0010284500000000, 0.0016994400000000, 0.0000004000000000 ] - [ -0.0012892100000000, 0.0019318600000000, -0.0000054900000000 ] - [ -0.0012892100000000, 0.0019318600000000, 0.0000054900000000 ] - [ 0.0006243600000000, 0.0017685400000000, 0.0000006600000000 ] - [ 0.0006243600000000, 0.0017685400000000, -0.0000006600000000 ] - [ 0.0010284500000000, 0.0016994400000000, -0.0000004000000000 ] - [ 0.0010284500000000, 0.0016994400000000, 0.0000004000000000 ] - [ -0.0009410600000000, 0.0017360900000000, -0.0001065600000000 ] - [ -0.0009410600000000, 0.0017360900000000, 0.0001065600000000 ] - [ 0.0012892100000000, 0.0019318600000000, -0.0000054900000000 ] - [ 0.0012892100000000, 0.0019318600000000, 0.0000054900000000 ] - [ 0.0009410600000000, 0.0017360900000000, -0.0001065600000000 ] - [ 0.0009410600000000, 0.0017360900000000, 0.0001065600000000 ] - [ 0.0000000000000000, 0.0008774400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0008739200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0006262100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0006256100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0053327600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0053286000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0037570900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0037520800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0030169500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0006984000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0006579100000000, 0.0006247200000000 ] - [ 0.0000000000000000, -0.0006579100000000, -0.0006247200000000 ] - [ 0.0000000000000000, 0.0271252100000000, -0.0020340900000000 ] - [ 0.0000000000000000, 0.0271252100000000, 0.0020340900000000 ] - [ 0.0000000000000000, -0.0036175800000000, -0.0000019600000000 ] - [ 0.0000000000000000, -0.0036175800000000, 0.0000019600000000 ] - [ 0.0000000000000000, -0.0029910300000000, -0.0000014800000000 ] - [ 0.0000000000000000, -0.0029910300000000, 0.0000014800000000 ] - [ 0.0000000000000000, -0.0024960100000000, -0.0000010000000000 ] - [ 0.0000000000000000, -0.0024960100000000, 0.0000010000000000 ] - [ 0.0000000000000000, -0.0032500700000000, 0.0011332900000000 ] - [ 0.0000000000000000, -0.0032500700000000, -0.0011332900000000 ]- atom: 51 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0013120700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0010145600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0038679800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0009726300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0099493600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0072048100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0012162700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0012008500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0010858300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0010858700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0010149300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0010121200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0023192600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003373300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0006037800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005920100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003842000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003833400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0006436200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005538300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000959100000000, 0.0002977400000000 ] - [ 0.0000000000000000, -0.0000959100000000, -0.0002977400000000 ] - [ 0.0000000000000000, 0.0084516800000000, 0.0001859300000000 ] - [ 0.0000000000000000, 0.0084516800000000, -0.0001859300000000 ] - [ 0.0000000000000000, -0.0003105200000000, -0.0000046000000000 ] - [ 0.0000000000000000, -0.0003105200000000, 0.0000046000000000 ] - [ 0.0000000000000000, 0.0083803600000000, -0.0000091600000000 ] - [ 0.0000000000000000, 0.0083803600000000, 0.0000091600000000 ] - [ -0.0001589000000000, -0.0009239600000000, 0.0008050000000000 ] - [ -0.0001589000000000, -0.0009239600000000, -0.0008050000000000 ] - [ 0.0039662300000000, 0.0015092600000000, 0.0079783400000000 ] - [ 0.0039662300000000, 0.0015092600000000, -0.0079783400000000 ] - [ 0.0001589000000000, -0.0009239600000000, 0.0008050000000000 ] - [ 0.0001589000000000, -0.0009239600000000, -0.0008050000000000 ] - [ 0.0050999300000000, 0.0003355400000000, -0.0087698000000000 ] - [ 0.0050999300000000, 0.0003355400000000, 0.0087698000000000 ] - [ 0.0011652000000000, -0.0015766400000000, -0.0002434900000000 ] - [ 0.0011652000000000, -0.0015766400000000, 0.0002434900000000 ] - [ -0.0039662300000000, 0.0015092600000000, 0.0079783400000000 ] - [ -0.0039662300000000, 0.0015092600000000, -0.0079783400000000 ] - [ -0.0050999300000000, 0.0003355400000000, -0.0087698000000000 ] - [ -0.0050999300000000, 0.0003355400000000, 0.0087698000000000 ] - [ 0.0010402700000000, -0.0016620900000000, -0.0000135100000000 ] - [ 0.0010402700000000, -0.0016620900000000, 0.0000135100000000 ] - [ -0.0011652000000000, -0.0015766400000000, -0.0002434900000000 ] - [ -0.0011652000000000, -0.0015766400000000, 0.0002434900000000 ] - [ -0.0010402700000000, -0.0016620900000000, -0.0000135100000000 ] - [ -0.0010402700000000, -0.0016620900000000, 0.0000135100000000 ] - [ 0.0000000000000000, 0.0006605100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002916900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0607885100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000490500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0046016300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0035042300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0055376300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0053932100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0006455000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0006452000000000, 0.0000000000000000 ] - [ 0.0006268400000000, -0.0017642400000000, -0.0000011800000000 ] - [ 0.0006268400000000, -0.0017642400000000, 0.0000011800000000 ] - [ 0.0008368500000000, -0.0014691000000000, -0.0000000600000000 ] - [ 0.0008368500000000, -0.0014691000000000, 0.0000000600000000 ] - [ -0.0006268400000000, -0.0017642400000000, -0.0000011800000000 ] - [ -0.0006268400000000, -0.0017642400000000, 0.0000011800000000 ] - [ 0.0008925900000000, -0.0018137100000000, -0.0000001700000000 ] - [ 0.0008925900000000, -0.0018137100000000, 0.0000001700000000 ] - [ 0.0012912100000000, -0.0019340600000000, 0.0000032800000000 ] - [ 0.0012912100000000, -0.0019340600000000, -0.0000032800000000 ] - [ -0.0008368500000000, -0.0014691000000000, -0.0000000600000000 ] - [ -0.0008368500000000, -0.0014691000000000, 0.0000000600000000 ] - [ -0.0008925900000000, -0.0018137100000000, -0.0000001700000000 ] - [ -0.0008925900000000, -0.0018137100000000, 0.0000001700000000 ] - [ 0.0010914700000000, -0.0016357200000000, 0.0001072400000000 ] - [ 0.0010914700000000, -0.0016357200000000, -0.0001072400000000 ] - [ -0.0012912100000000, -0.0019340600000000, 0.0000032800000000 ] - [ -0.0012912100000000, -0.0019340600000000, -0.0000032800000000 ] - [ -0.0010914700000000, -0.0016357200000000, 0.0001072400000000 ] - [ -0.0010914700000000, -0.0016357200000000, -0.0001072400000000 ] - [ 0.0000000000000000, -0.0008807300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0008761200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0009367200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0009372800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0037565900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0037589900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0053332700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0053368400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0027505800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003857400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0006105100000000, -0.0006567400000000 ] - [ 0.0000000000000000, 0.0006105100000000, 0.0006567400000000 ] - [ 0.0000000000000000, -0.0260024100000000, 0.0018562900000000 ] - [ 0.0000000000000000, -0.0260024100000000, -0.0018562900000000 ] - [ 0.0000000000000000, 0.0024925000000000, 0.0000003400000000 ] - [ 0.0000000000000000, 0.0024925000000000, -0.0000003400000000 ] - [ 0.0000000000000000, 0.0030070900000000, 0.0000012800000000 ] - [ 0.0000000000000000, 0.0030070900000000, -0.0000012800000000 ] - [ 0.0000000000000000, 0.0036316700000000, -0.0000019400000000 ] - [ 0.0000000000000000, 0.0036316700000000, 0.0000019400000000 ] - [ 0.0000000000000000, 0.0021238100000000, -0.0011525800000000 ] - [ 0.0000000000000000, 0.0021238100000000, 0.0011525800000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000787800000000, 0.0008650100000000 ] - [ 0.0000000000000000, 0.0000841900000000, -0.0008789800000000 ] - [ 0.0000000000000000, -0.0001270300000000, 0.0090941100000000 ] - [ 0.0000000000000000, 0.0000209000000000, -0.0058287300000000 ] - [ 0.0000000000000000, -0.0000935200000000, 0.0167532500000000 ] - [ 0.0000000000000000, -0.0000835300000000, -0.0104184400000000 ] - [ 0.0000000000000000, 0.0000767000000000, 0.0003245500000000 ] - [ 0.0000000000000000, 0.0000776500000000, -0.0003230100000000 ] - [ 0.0000000000000000, -0.0000015800000000, 0.0000811600000000 ] - [ 0.0000000000000000, -0.0000000400000000, -0.0000811100000000 ] - [ 0.0000000000000000, -0.0000806800000000, 0.0000399100000000 ] - [ 0.0000000000000000, -0.0000831300000000, -0.0000397600000000 ] - [ 0.0000000000000000, 0.0000053300000000, 0.0044110300000000 ] - [ 0.0000000000000000, -0.0000864300000000, -0.0027546900000000 ] - [ 0.0000000000000000, 0.0000879200000000, 0.0005373300000000 ] - [ 0.0000000000000000, 0.0000846700000000, -0.0005327100000000 ] - [ 0.0000000000000000, -0.0000876400000000, 0.0000313700000000 ] - [ 0.0000000000000000, -0.0000864100000000, -0.0000311800000000 ] - [ 0.0000000000000000, 0.0000813400000000, 0.0000998200000000 ] - [ 0.0000000000000000, 0.0000843200000000, -0.0001013600000000 ] - [ 0.0000000000000000, -0.0264561700000000, -0.0013470100000000 ] - [ 0.0000000000000000, 0.0176881900000000, -0.0013934900000000 ] - [ 0.0000000000000000, 0.0005135200000000, -0.0001065900000000 ] - [ 0.0000000000000000, 0.0081881400000000, -0.0001118900000000 ] - [ 0.0000000000000000, -0.0041709900000000, -0.0000036300000000 ] - [ 0.0000000000000000, -0.0045590400000000, -0.0000010600000000 ] - [ 0.0000000000000000, 0.0049847200000000, -0.0000134200000000 ] - [ 0.0000000000000000, 0.0037144900000000, -0.0000086200000000 ] - [ 0.0016390200000000, -0.0030249000000000, 0.0001338100000000 ] - [ -0.0018191600000000, 0.0026966400000000, 0.0001576900000000 ] - [ 0.0166301100000000, -0.0171949100000000, 0.0114105400000000 ] - [ -0.0162161500000000, 0.0173026700000000, 0.0114887500000000 ] - [ -0.0016390200000000, -0.0030249000000000, 0.0001338100000000 ] - [ 0.0018191600000000, 0.0026966400000000, 0.0001576900000000 ] - [ -0.0187525600000000, 0.0178091400000000, 0.0117860700000000 ] - [ 0.0184200400000000, -0.0177382700000000, 0.0118649200000000 ] - [ -0.0021152000000000, 0.0037174500000000, 0.0003026300000000 ] - [ 0.0020984500000000, -0.0037026100000000, 0.0003092600000000 ] - [ -0.0166301100000000, -0.0171949100000000, 0.0114105400000000 ] - [ 0.0162161500000000, 0.0173026700000000, 0.0114887500000000 ] - [ 0.0187525600000000, 0.0178091400000000, 0.0117860700000000 ] - [ -0.0184200400000000, -0.0177382700000000, 0.0118649200000000 ] - [ -0.0003737300000000, 0.0011009400000000, 0.0000204700000000 ] - [ 0.0005051500000000, -0.0009746500000000, 0.0000219200000000 ] - [ 0.0021152000000000, 0.0037174500000000, 0.0003026300000000 ] - [ -0.0020984500000000, -0.0037026100000000, 0.0003092600000000 ] - [ 0.0003737300000000, 0.0011009400000000, 0.0000204700000000 ] - [ -0.0005051500000000, -0.0009746500000000, 0.0000219200000000 ] - [ 0.0000000000000000, 0.0000084400000000, -0.0106026100000000 ] - [ 0.0000000000000000, -0.0000139400000000, 0.0119489500000000 ] - [ 0.0000000000000000, -0.0001472800000000, -0.1215764900000000 ] - [ 0.0000000000000000, -0.0001656200000000, 0.0711572100000000 ] - [ 0.0000000000000000, 0.0045280100000000, -0.0133604700000000 ] - [ 0.0000000000000000, 0.0045461900000000, 0.0159770300000000 ] - [ 0.0000000000000000, -0.0045374900000000, -0.0016680200000000 ] - [ 0.0000000000000000, -0.0045365000000000, 0.0017991300000000 ] - [ 0.0000000000000000, 0.0001565600000000, -0.0003859500000000 ] - [ 0.0000000000000000, 0.0001571200000000, 0.0003990200000000 ] - [ -0.0002116400000000, 0.0000807000000000, 0.0000006100000000 ] - [ 0.0000036500000000, -0.0003879900000000, 0.0000012900000000 ] - [ 0.0000804800000000, 0.0002040900000000, 0.0000008400000000 ] - [ 0.0001249100000000, 0.0001102500000000, -0.0000005300000000 ] - [ 0.0002116400000000, 0.0000807000000000, 0.0000006100000000 ] - [ -0.0000036500000000, -0.0003879900000000, 0.0000012900000000 ] - [ -0.0000529200000000, -0.0001011200000000, -0.0000007500000000 ] - [ -0.0000885600000000, -0.0000092200000000, -0.0000002700000000 ] - [ 0.0000970100000000, -0.0001888600000000, 0.0000006500000000 ] - [ -0.0001004100000000, 0.0001951300000000, 0.0000027000000000 ] - [ -0.0000804800000000, 0.0002040900000000, 0.0000008400000000 ] - [ -0.0001249100000000, 0.0001102500000000, -0.0000005300000000 ] - [ 0.0000529200000000, -0.0001011200000000, -0.0000007500000000 ] - [ 0.0000885600000000, -0.0000092200000000, -0.0000002700000000 ] - [ 0.0004280100000000, -0.0005861300000000, 0.0000117700000000 ] - [ -0.0002938100000000, 0.0007081700000000, 0.0000155000000000 ] - [ -0.0000970100000000, -0.0001888600000000, 0.0000006500000000 ] - [ 0.0001004100000000, 0.0001951300000000, 0.0000027000000000 ] - [ -0.0004280100000000, -0.0005861300000000, 0.0000117700000000 ] - [ 0.0002938100000000, 0.0007081700000000, 0.0000155000000000 ] - [ 0.0000000000000000, 0.0000006900000000, -0.0000969200000000 ] - [ 0.0000000000000000, 0.0000017800000000, 0.0000981700000000 ] - [ 0.0000000000000000, -0.0001542200000000, -0.0000455900000000 ] - [ 0.0000000000000000, -0.0001550600000000, 0.0000467400000000 ] - [ 0.0000000000000000, 0.0045402800000000, -0.0000998000000000 ] - [ 0.0000000000000000, 0.0045389200000000, 0.0000999500000000 ] - [ 0.0000000000000000, -0.0045365800000000, -0.0002972800000000 ] - [ 0.0000000000000000, -0.0045359900000000, 0.0003135700000000 ] - [ 0.0000000000000000, 0.0001814000000000, -0.0010271500000000 ] - [ 0.0000000000000000, 0.0001528500000000, 0.0011283500000000 ] - [ 0.0000000000000000, 0.0183395500000000, -0.0002468300000000 ] - [ 0.0000000000000000, -0.0182350600000000, -0.0002968400000000 ] - [ 0.0000000000000000, 0.0000094800000000, -0.0261290500000000 ] - [ 0.0000000000000000, 0.0011606700000000, -0.0303365400000000 ] - [ 0.0000000000000000, -0.0014678700000000, -0.0000086500000000 ] - [ 0.0000000000000000, 0.0002909600000000, -0.0000075700000000 ] - [ 0.0000000000000000, -0.0001969800000000, -0.0000016800000000 ] - [ 0.0000000000000000, 0.0001925800000000, -0.0000018500000000 ] - [ 0.0000000000000000, 0.0005780600000000, -0.0000020200000000 ] - [ 0.0000000000000000, 0.0005768000000000, 0.0000003500000000 ] - [ 0.0000000000000000, 0.0017590800000000, -0.0000318900000000 ] - [ 0.0000000000000000, -0.0029245500000000, -0.0000628600000000 ]- atom: 53 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000119100000000, 0.0000963600000000, 0.0000000000000000 ] - [ 0.0000106700000000, 0.0000953500000000, 0.0000000000000000 ] - [ 0.0000459900000000, -0.0000015200000000, 0.0000000000000000 ] - [ 0.0000216300000000, 0.0000005400000000, 0.0000000000000000 ] - [ 0.0028270300000000, -0.0000855600000000, 0.0000000000000000 ] - [ 0.0016232100000000, -0.0001144400000000, 0.0000000000000000 ] - [ 0.0000285400000000, 0.0000901700000000, 0.0000000000000000 ] - [ 0.0000280300000000, 0.0000898000000000, 0.0000000000000000 ] - [ 0.0000093100000000, 0.0000024700000000, 0.0000000000000000 ] - [ 0.0000084100000000, 0.0000028900000000, 0.0000000000000000 ] - [ -0.0000002500000000, -0.0000906700000000, 0.0000000000000000 ] - [ 0.0000005700000000, -0.0000920300000000, 0.0000000000000000 ] - [ -0.0088290900000000, -0.0000832700000000, 0.0000000000000000 ] - [ -0.0011263200000000, -0.0000857400000000, 0.0000000000000000 ] - [ 0.0010761900000000, 0.0000930000000000, 0.0000000000000000 ] - [ 0.0006021300000000, 0.0000918900000000, 0.0000000000000000 ] - [ -0.0000002400000000, -0.0000880200000000, 0.0000000000000000 ] - [ 0.0000004400000000, -0.0000862100000000, 0.0000000000000000 ] - [ 0.0000000700000000, 0.0000835800000000, 0.0000000000000000 ] - [ -0.0000000100000000, 0.0000862100000000, 0.0000000000000000 ] - [ 0.0116338200000000, -0.0043522500000000, -0.0003811100000000 ] - [ 0.0116338200000000, -0.0043522500000000, 0.0003811100000000 ] - [ -0.0088889600000000, 0.0043418400000000, -0.0000052400000000 ] - [ -0.0088889600000000, 0.0043418400000000, 0.0000052400000000 ] - [ -0.0000017600000000, -0.0043467100000000, -0.0000008800000000 ] - [ -0.0000017600000000, -0.0043467100000000, 0.0000008800000000 ] - [ -0.0000012800000000, 0.0043448100000000, -0.0000012800000000 ] - [ -0.0000012800000000, 0.0043448100000000, 0.0000012800000000 ] - [ -0.0000685800000000, -0.0002070700000000, 0.0000018700000000 ] - [ -0.0000685800000000, -0.0002070700000000, -0.0000018700000000 ] - [ 0.0003757100000000, 0.0001135200000000, 0.0000404400000000 ] - [ 0.0003757100000000, 0.0001135200000000, -0.0000404400000000 ] - [ 0.0001444400000000, -0.0000884100000000, -0.0000024300000000 ] - [ 0.0001444400000000, -0.0000884100000000, 0.0000024300000000 ] - [ 0.0044445800000000, -0.0082706400000000, 0.0092989100000000 ] - [ 0.0044445800000000, -0.0082706400000000, -0.0092989100000000 ] - [ 0.0047837600000000, -0.0077667500000000, -0.0081524300000000 ] - [ 0.0047837600000000, -0.0077667500000000, 0.0081524300000000 ] - [ 0.0001613400000000, 0.0001815100000000, -0.0000409100000000 ] - [ 0.0001613400000000, 0.0001815100000000, 0.0000409100000000 ] - [ 0.0046259800000000, 0.0081340800000000, -0.0091981400000000 ] - [ 0.0046259800000000, 0.0081340800000000, 0.0091981400000000 ] - [ 0.0005017400000000, -0.0000122200000000, -0.0000688900000000 ] - [ 0.0005017400000000, -0.0000122200000000, 0.0000688900000000 ] - [ 0.0047461500000000, 0.0077917100000000, 0.0082432400000000 ] - [ 0.0047461500000000, 0.0077917100000000, -0.0082432400000000 ] - [ 0.0003737900000000, 0.0001303100000000, 0.0000683900000000 ] - [ 0.0003737900000000, 0.0001303100000000, -0.0000683900000000 ] - [ 0.0001326400000000, 0.0000009400000000, 0.0000000000000000 ] - [ 0.0000885600000000, 0.0000008500000000, 0.0000000000000000 ] - [ 0.0012098900000000, -0.0001601400000000, 0.0000000000000000 ] - [ 0.0023000200000000, -0.0001597400000000, 0.0000000000000000 ] - [ -0.0378401400000000, 0.0045538000000000, 0.0000000000000000 ] - [ 0.0050824900000000, 0.0045596900000000, 0.0000000000000000 ] - [ 0.0010076300000000, -0.0045527200000000, 0.0000000000000000 ] - [ 0.0021503300000000, -0.0045493500000000, 0.0000000000000000 ] - [ 0.0000849100000000, 0.0001575600000000, 0.0000000000000000 ] - [ 0.0000878800000000, 0.0001578300000000, 0.0000000000000000 ] - [ -0.0000731300000000, -0.0002095200000000, 0.0000001200000000 ] - [ -0.0000731300000000, -0.0002095200000000, -0.0000001200000000 ] - [ 0.0001097600000000, 0.0001478700000000, 0.0000002900000000 ] - [ 0.0001097600000000, 0.0001478700000000, -0.0000002900000000 ] - [ 0.0001376000000000, -0.0000899900000000, -0.0000008700000000 ] - [ 0.0001376000000000, -0.0000899900000000, 0.0000008700000000 ] - [ -0.0000670900000000, -0.0000578400000000, -0.0000002800000000 ] - [ -0.0000670900000000, -0.0000578400000000, 0.0000002800000000 ] - [ 0.0000001700000000, -0.0000004100000000, -0.0000008100000000 ] - [ 0.0000001700000000, -0.0000004100000000, 0.0000008100000000 ] - [ -0.0001060200000000, 0.0001471000000000, 0.0000001200000000 ] - [ -0.0001060200000000, 0.0001471000000000, -0.0000001200000000 ] - [ 0.0000677500000000, -0.0000562200000000, -0.0000005200000000 ] - [ 0.0000677500000000, -0.0000562200000000, 0.0000005200000000 ] - [ 0.0000740800000000, 0.0000534200000000, -0.0000004900000000 ] - [ 0.0000740800000000, 0.0000534200000000, 0.0000004900000000 ] - [ 0.0000006900000000, 0.0000016500000000, -0.0000008500000000 ] - [ 0.0000006900000000, 0.0000016500000000, 0.0000008500000000 ] - [ -0.0000699200000000, 0.0000526000000000, -0.0000001800000000 ] - [ -0.0000699200000000, 0.0000526000000000, 0.0000001800000000 ] - [ 0.0000105100000000, -0.0000001400000000, 0.0000000000000000 ] - [ 0.0000102900000000, 0.0000001800000000, 0.0000000000000000 ] - [ 0.0000008700000000, -0.0001563700000000, 0.0000000000000000 ] - [ 0.0000007000000000, -0.0001569000000000, 0.0000000000000000 ] - [ 0.0000003800000000, 0.0045504400000000, 0.0000000000000000 ] - [ 0.0000006400000000, 0.0045497000000000, 0.0000000000000000 ] - [ 0.0000002200000000, -0.0045495500000000, 0.0000000000000000 ] - [ 0.0000004500000000, -0.0045491100000000, 0.0000000000000000 ] - [ 0.0000111700000000, 0.0001574700000000, 0.0000000000000000 ] - [ 0.0000115700000000, 0.0001577500000000, 0.0000000000000000 ] - [ -0.0001313400000000, 0.0000002800000000, -0.0000023100000000 ] - [ -0.0001313400000000, 0.0000002800000000, 0.0000023100000000 ] - [ -0.0079312500000000, 0.0005656600000000, -0.0000051100000000 ] - [ -0.0079312500000000, 0.0005656600000000, 0.0000051100000000 ] - [ -0.0000895900000000, -0.0005637500000000, -0.0000003700000000 ] - [ -0.0000895900000000, -0.0005637500000000, 0.0000003700000000 ] - [ -0.0000472700000000, 0.0000064500000000, 0.0000000600000000 ] - [ -0.0000472700000000, 0.0000064500000000, -0.0000000600000000 ] - [ -0.0000002300000000, 0.0005627600000000, -0.0000011300000000 ] - [ -0.0000002300000000, 0.0005627600000000, 0.0000011300000000 ] - [ -0.0000495700000000, -0.0005622900000000, -0.0000010400000000 ] - [ -0.0000495700000000, -0.0005622900000000, 0.0000010400000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0011553900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0009899900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0012201700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0009881600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0033094300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0007398900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0011918300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0011619300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0011124100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0010975300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0011942800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0011952200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0045786100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0031093700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0039107300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000060100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0005626200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0005599700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003890200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003841200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0221754500000000, -0.0004664900000000 ] - [ 0.0000000000000000, 0.0221754500000000, 0.0004664900000000 ] - [ 0.0000000000000000, -0.0000001700000000, 0.0001553300000000 ] - [ 0.0000000000000000, -0.0000001700000000, -0.0001553300000000 ] - [ 0.0000000000000000, -0.0083953600000000, -0.0000010300000000 ] - [ 0.0000000000000000, -0.0083953600000000, 0.0000010300000000 ] - [ 0.0000000000000000, 0.0003043000000000, 0.0000187400000000 ] - [ 0.0000000000000000, 0.0003043000000000, -0.0000187400000000 ] - [ -0.0008703700000000, 0.0013878300000000, -0.0000917500000000 ] - [ -0.0008703700000000, 0.0013878300000000, 0.0000917500000000 ] - [ 0.0000699700000000, 0.0009454500000000, -0.0007064200000000 ] - [ 0.0000699700000000, 0.0009454500000000, 0.0007064200000000 ] - [ 0.0008703700000000, 0.0013878300000000, -0.0000917500000000 ] - [ 0.0008703700000000, 0.0013878300000000, 0.0000917500000000 ] - [ -0.0025965000000000, -0.0018858700000000, -0.0084196300000000 ] - [ -0.0025965000000000, -0.0018858700000000, 0.0084196300000000 ] - [ -0.0039726900000000, -0.0004755700000000, 0.0085337200000000 ] - [ -0.0039726900000000, -0.0004755700000000, -0.0085337200000000 ] - [ -0.0000699700000000, 0.0009454500000000, -0.0007064200000000 ] - [ -0.0000699700000000, 0.0009454500000000, 0.0007064200000000 ] - [ 0.0025965000000000, -0.0018858700000000, -0.0084196300000000 ] - [ 0.0025965000000000, -0.0018858700000000, 0.0084196300000000 ] - [ -0.0008107100000000, 0.0014692400000000, 0.0001422900000000 ] - [ -0.0008107100000000, 0.0014692400000000, -0.0001422900000000 ] - [ 0.0039726900000000, -0.0004755700000000, 0.0085337200000000 ] - [ 0.0039726900000000, -0.0004755700000000, -0.0085337200000000 ] - [ 0.0008107100000000, 0.0014692400000000, 0.0001422900000000 ] - [ 0.0008107100000000, 0.0014692400000000, -0.0001422900000000 ] - [ 0.0000000000000000, 0.0030037900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0006424300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002097100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0008841000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0460532000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0062092200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0040195700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0028757500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0011505800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0010032200000000, 0.0000000000000000 ] - [ -0.0008353400000000, 0.0014271300000000, 0.0000069500000000 ] - [ -0.0008353400000000, 0.0014271300000000, -0.0000069500000000 ] - [ -0.0006249800000000, 0.0017647400000000, 0.0000013100000000 ] - [ -0.0006249800000000, 0.0017647400000000, -0.0000013100000000 ] - [ 0.0008353400000000, 0.0014271300000000, 0.0000069500000000 ] - [ 0.0008353400000000, 0.0014271300000000, -0.0000069500000000 ] - [ -0.0010346900000000, 0.0017066700000000, -0.0000004000000000 ] - [ -0.0010346900000000, 0.0017066700000000, 0.0000004000000000 ] - [ -0.0012955600000000, 0.0019493800000000, -0.0000026600000000 ] - [ -0.0012955600000000, 0.0019493800000000, 0.0000026600000000 ] - [ 0.0006249800000000, 0.0017647400000000, 0.0000013100000000 ] - [ 0.0006249800000000, 0.0017647400000000, -0.0000013100000000 ] - [ 0.0010346900000000, 0.0017066700000000, -0.0000004000000000 ] - [ 0.0010346900000000, 0.0017066700000000, 0.0000004000000000 ] - [ -0.0008812300000000, 0.0018041400000000, -0.0000124300000000 ] - [ -0.0008812300000000, 0.0018041400000000, 0.0000124300000000 ] - [ 0.0012955600000000, 0.0019493800000000, -0.0000026600000000 ] - [ 0.0012955600000000, 0.0019493800000000, 0.0000026600000000 ] - [ 0.0008812300000000, 0.0018041400000000, -0.0000124300000000 ] - [ 0.0008812300000000, 0.0018041400000000, 0.0000124300000000 ] - [ 0.0000000000000000, 0.0008978800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0009032800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0006319900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0006280100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0053346700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0053342700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0037250600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0037584300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0009438700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0009480500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0026360400000000, 0.0010745000000000 ] - [ 0.0000000000000000, -0.0026360400000000, -0.0010745000000000 ] - [ 0.0000000000000000, -0.0001704600000000, 0.0004081000000000 ] - [ 0.0000000000000000, -0.0001704600000000, -0.0004081000000000 ] - [ 0.0000000000000000, -0.0036213200000000, -0.0001116100000000 ] - [ 0.0000000000000000, -0.0036213200000000, 0.0001116100000000 ] - [ 0.0000000000000000, -0.0029890100000000, 0.0000007100000000 ] - [ 0.0000000000000000, -0.0029890100000000, -0.0000007100000000 ] - [ 0.0000000000000000, -0.0025056600000000, -0.0000026900000000 ] - [ 0.0000000000000000, -0.0025056600000000, 0.0000026900000000 ] - [ 0.0000000000000000, -0.0035997900000000, 0.0000128800000000 ] - [ 0.0000000000000000, -0.0035997900000000, -0.0000128800000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0013471600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0011756700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0012219000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0009883000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0040373400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0009754300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0013711700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0013403200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0011185500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0011050100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0010203300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0010178800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0047525000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0032839600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0040803300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001781900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003860200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003860600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005613700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005597600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0309134200000000, -0.0002410700000000 ] - [ 0.0000000000000000, -0.0309134200000000, 0.0002410700000000 ] - [ 0.0000000000000000, 0.0087025200000000, -0.0001622800000000 ] - [ 0.0000000000000000, 0.0087025200000000, 0.0001622800000000 ] - [ 0.0000000000000000, -0.0002914900000000, -0.0000013800000000 ] - [ 0.0000000000000000, -0.0002914900000000, 0.0000013800000000 ] - [ 0.0000000000000000, 0.0083944400000000, -0.0000228000000000 ] - [ 0.0000000000000000, 0.0083944400000000, 0.0000228000000000 ] - [ 0.0006596800000000, -0.0016884300000000, 0.0000918800000000 ] - [ 0.0006596800000000, -0.0016884300000000, -0.0000918800000000 ] - [ 0.0001296400000000, -0.0006372200000000, 0.0007194100000000 ] - [ 0.0001296400000000, -0.0006372200000000, -0.0007194100000000 ] - [ -0.0006596800000000, -0.0016884300000000, 0.0000918800000000 ] - [ -0.0006596800000000, -0.0016884300000000, -0.0000918800000000 ] - [ 0.0024556700000000, 0.0018390500000000, 0.0084986700000000 ] - [ 0.0024556700000000, 0.0018390500000000, -0.0084986700000000 ] - [ 0.0039462000000000, 0.0004366700000000, -0.0084450500000000 ] - [ 0.0039462000000000, 0.0004366700000000, 0.0084450500000000 ] - [ -0.0001296400000000, -0.0006372200000000, 0.0007194100000000 ] - [ -0.0001296400000000, -0.0006372200000000, -0.0007194100000000 ] - [ -0.0024556700000000, 0.0018390500000000, 0.0084986700000000 ] - [ -0.0024556700000000, 0.0018390500000000, -0.0084986700000000 ] - [ 0.0009485900000000, -0.0013593900000000, -0.0001395800000000 ] - [ 0.0009485900000000, -0.0013593900000000, 0.0001395800000000 ] - [ -0.0039462000000000, 0.0004366700000000, -0.0084450500000000 ] - [ -0.0039462000000000, 0.0004366700000000, 0.0084450500000000 ] - [ -0.0009485900000000, -0.0013593900000000, -0.0001395800000000 ] - [ -0.0009485900000000, -0.0013593900000000, 0.0001395800000000 ] - [ 0.0000000000000000, -0.0030483800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0006381400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000876100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0011971000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0557469700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0029214300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0050876600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0062114400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0008368300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0006918800000000, 0.0000000000000000 ] - [ 0.0006271000000000, -0.0017335400000000, -0.0000077100000000 ] - [ 0.0006271000000000, -0.0017335400000000, 0.0000077100000000 ] - [ 0.0008415600000000, -0.0014697700000000, -0.0000005200000000 ] - [ 0.0008415600000000, -0.0014697700000000, 0.0000005200000000 ] - [ -0.0006271000000000, -0.0017335400000000, -0.0000077100000000 ] - [ -0.0006271000000000, -0.0017335400000000, 0.0000077100000000 ] - [ 0.0008960000000000, -0.0018205000000000, -0.0000005500000000 ] - [ 0.0008960000000000, -0.0018205000000000, 0.0000005500000000 ] - [ 0.0012978900000000, -0.0019513300000000, 0.0000003400000000 ] - [ 0.0012978900000000, -0.0019513300000000, -0.0000003400000000 ] - [ -0.0008415600000000, -0.0014697700000000, -0.0000005200000000 ] - [ -0.0008415600000000, -0.0014697700000000, 0.0000005200000000 ] - [ -0.0008960000000000, -0.0018205000000000, -0.0000005500000000 ] - [ -0.0008960000000000, -0.0018205000000000, 0.0000005500000000 ] - [ 0.0010290400000000, -0.0017010500000000, 0.0000110600000000 ] - [ 0.0010290400000000, -0.0017010500000000, -0.0000110600000000 ] - [ -0.0012978900000000, -0.0019513300000000, 0.0000003400000000 ] - [ -0.0012978900000000, -0.0019513300000000, -0.0000003400000000 ] - [ -0.0010290400000000, -0.0017010500000000, 0.0000110600000000 ] - [ -0.0010290400000000, -0.0017010500000000, -0.0000110600000000 ] - [ 0.0000000000000000, -0.0009005900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0009045500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0009439200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0009416700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0037588200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0037573000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0053680900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0053330700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0006322500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0006364100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0026399400000000, -0.0011011100000000 ] - [ 0.0000000000000000, 0.0026399400000000, 0.0011011100000000 ] - [ 0.0000000000000000, 0.0012532600000000, -0.0004255300000000 ] - [ 0.0000000000000000, 0.0012532600000000, 0.0004255300000000 ] - [ 0.0000000000000000, 0.0024946000000000, 0.0001091300000000 ] - [ 0.0000000000000000, 0.0024946000000000, -0.0001091300000000 ] - [ 0.0000000000000000, 0.0030076800000000, -0.0000005300000000 ] - [ 0.0000000000000000, 0.0030076800000000, 0.0000005300000000 ] - [ 0.0000000000000000, 0.0036408800000000, -0.0000000900000000 ] - [ 0.0000000000000000, 0.0036408800000000, 0.0000000900000000 ] - [ 0.0000000000000000, 0.0024757400000000, -0.0000142200000000 ] - [ 0.0000000000000000, 0.0024757400000000, 0.0000142200000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000855600000000, 0.0002489900000000 ] - [ 0.0000000000000000, 0.0000877100000000, -0.0002473300000000 ] - [ 0.0000000000000000, -0.0000054700000000, 0.0009862400000000 ] - [ 0.0000000000000000, 0.0000021700000000, -0.0009864100000000 ] - [ 0.0000000000000000, -0.0002449000000000, 0.0107816500000000 ] - [ 0.0000000000000000, -0.0000720400000000, -0.0076220400000000 ] - [ 0.0000000000000000, 0.0000853500000000, 0.0014070500000000 ] - [ 0.0000000000000000, 0.0000825900000000, -0.0013416200000000 ] - [ 0.0000000000000000, -0.0000028900000000, 0.0003061900000000 ] - [ 0.0000000000000000, -0.0000018500000000, -0.0003045600000000 ] - [ 0.0000000000000000, -0.0000868800000000, 0.0000826400000000 ] - [ 0.0000000000000000, -0.0000882300000000, -0.0000824900000000 ] - [ 0.0000000000000000, -0.0000919600000000, 0.0081050000000000 ] - [ 0.0000000000000000, -0.0000803900000000, -0.0057673900000000 ] - [ 0.0000000000000000, 0.0001701600000000, 0.0038887600000000 ] - [ 0.0000000000000000, 0.0000795700000000, -0.0031716900000000 ] - [ 0.0000000000000000, -0.0000827600000000, 0.0000171800000000 ] - [ 0.0000000000000000, -0.0000823700000000, -0.0000169800000000 ] - [ 0.0000000000000000, 0.0000783700000000, 0.0000303600000000 ] - [ 0.0000000000000000, 0.0000795100000000, -0.0000321200000000 ] - [ 0.0000000000000000, -0.0022863500000000, 0.0111769000000000 ] - [ 0.0000000000000000, -0.0062777400000000, 0.0040923400000000 ] - [ 0.0000000000000000, -0.0254508400000000, -0.0013931700000000 ] - [ 0.0000000000000000, 0.0341151100000000, -0.0014335600000000 ] - [ 0.0000000000000000, -0.0043718100000000, -0.0000029200000000 ] - [ 0.0000000000000000, -0.0043774200000000, -0.0000011700000000 ] - [ 0.0000000000000000, 0.0045247100000000, -0.0000026800000000 ] - [ 0.0000000000000000, 0.0041876200000000, -0.0000002500000000 ] - [ 0.0002853000000000, -0.0009272700000000, 0.0000072700000000 ] - [ -0.0004905600000000, 0.0006216200000000, 0.0000106500000000 ] - [ 0.0019919900000000, -0.0032447500000000, 0.0001567200000000 ] - [ -0.0017566000000000, 0.0035364800000000, 0.0001821900000000 ] - [ -0.0002853000000000, -0.0009272700000000, 0.0000072700000000 ] - [ 0.0004905600000000, 0.0006216200000000, 0.0000106500000000 ] - [ 0.0191329600000000, -0.0236012600000000, 0.0137461300000000 ] - [ -0.0189864600000000, 0.0232031100000000, 0.0138472700000000 ] - [ -0.0220512400000000, 0.0239412300000000, 0.0125836100000000 ] - [ 0.0217939900000000, -0.0236895600000000, 0.0126935900000000 ] - [ -0.0019919900000000, -0.0032447500000000, 0.0001567200000000 ] - [ 0.0017566000000000, 0.0035364800000000, 0.0001821900000000 ] - [ -0.0191329600000000, -0.0236012600000000, 0.0137461300000000 ] - [ 0.0189864600000000, 0.0232031100000000, 0.0138472700000000 ] - [ -0.0020080900000000, 0.0046138800000000, 0.0002145700000000 ] - [ 0.0021162700000000, -0.0044709000000000, 0.0002208300000000 ] - [ 0.0220512400000000, 0.0239412300000000, 0.0125836100000000 ] - [ -0.0217939900000000, -0.0236895600000000, 0.0126935900000000 ] - [ 0.0020080900000000, 0.0046138800000000, 0.0002145700000000 ] - [ -0.0021162700000000, -0.0044709000000000, 0.0002208300000000 ] - [ 0.0000000000000000, 0.0000331100000000, -0.0011427900000000 ] - [ 0.0000000000000000, -0.0000020500000000, 0.0011815500000000 ] - [ 0.0000000000000000, -0.0001645000000000, -0.0133598200000000 ] - [ 0.0000000000000000, -0.0001773200000000, 0.0159774600000000 ] - [ 0.0000000000000000, 0.0044418700000000, -0.2365438800000000 ] - [ 0.0000000000000000, 0.0045038300000000, 0.1048023200000000 ] - [ 0.0000000000000000, -0.0045409400000000, -0.0156725400000000 ] - [ 0.0000000000000000, -0.0045328900000000, 0.0196130800000000 ] - [ 0.0000000000000000, 0.0001577200000000, -0.0016688000000000 ] - [ 0.0000000000000000, 0.0001612100000000, 0.0017984600000000 ] - [ -0.0005820900000000, 0.0008255800000000, 0.0000115900000000 ] - [ 0.0003748100000000, -0.0011297000000000, 0.0000127200000000 ] - [ -0.0000093900000000, 0.0003895900000000, 0.0000016400000000 ] - [ 0.0002133900000000, -0.0000753900000000, 0.0000004300000000 ] - [ 0.0005820900000000, 0.0008255800000000, 0.0000115900000000 ] - [ -0.0003748100000000, -0.0011297000000000, 0.0000127200000000 ] - [ -0.0000898700000000, -0.0000181400000000, -0.0000011600000000 ] - [ -0.0000474800000000, -0.0000972500000000, -0.0000002900000000 ] - [ 0.0000169300000000, -0.0000352100000000, -0.0000010900000000 ] - [ -0.0000219500000000, 0.0000439400000000, 0.0000008000000000 ] - [ 0.0000093900000000, 0.0003895900000000, 0.0000016400000000 ] - [ -0.0002133900000000, -0.0000753900000000, 0.0000004300000000 ] - [ 0.0000898700000000, -0.0000181400000000, -0.0000011600000000 ] - [ 0.0000474800000000, -0.0000972500000000, -0.0000002900000000 ] - [ 0.0001587200000000, -0.0001125900000000, 0.0000014400000000 ] - [ -0.0000297000000000, 0.0002448100000000, 0.0000028700000000 ] - [ -0.0000169300000000, -0.0000352100000000, -0.0000010900000000 ] - [ 0.0000219500000000, 0.0000439400000000, 0.0000008000000000 ] - [ -0.0001587200000000, -0.0001125900000000, 0.0000014400000000 ] - [ 0.0000297000000000, 0.0002448100000000, 0.0000028700000000 ] - [ 0.0000000000000000, 0.0000013000000000, -0.0003556800000000 ] - [ 0.0000000000000000, 0.0000021500000000, 0.0003635200000000 ] - [ 0.0000000000000000, -0.0001555700000000, -0.0000995100000000 ] - [ 0.0000000000000000, -0.0001563200000000, 0.0001013400000000 ] - [ 0.0000000000000000, 0.0045412100000000, -0.0000552900000000 ] - [ 0.0000000000000000, 0.0045399900000000, 0.0000544700000000 ] - [ 0.0000000000000000, -0.0045363600000000, -0.0000964300000000 ] - [ 0.0000000000000000, -0.0045358900000000, 0.0000970700000000 ] - [ 0.0000000000000000, 0.0001603800000000, -0.0002997500000000 ] - [ 0.0000000000000000, 0.0001600200000000, 0.0003143800000000 ] - [ 0.0000000000000000, 0.0027003200000000, -0.0000116000000000 ] - [ 0.0000000000000000, -0.0026946400000000, -0.0000449300000000 ] - [ 0.0000000000000000, 0.0247294600000000, -0.0004460800000000 ] - [ 0.0000000000000000, -0.0234419100000000, -0.0004963200000000 ] - [ 0.0000000000000000, -0.0044363500000000, -0.0000384400000000 ] - [ 0.0000000000000000, 0.0032628200000000, -0.0000439100000000 ] - [ 0.0000000000000000, -0.0008174200000000, -0.0000052500000000 ] - [ 0.0000000000000000, 0.0008071400000000, -0.0000059200000000 ] - [ 0.0000000000000000, 0.0003824600000000, -0.0000010400000000 ] - [ 0.0000000000000000, 0.0007595000000000, -0.0000007700000000 ] - [ 0.0000000000000000, 0.0000639600000000, -0.0000068200000000 ] - [ 0.0000000000000000, -0.0012272400000000, -0.0000085200000000 ]- atom: 89 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0081368900000000, 0.0001061700000000, -0.0000210400000000 ] - [ -0.0081368900000000, 0.0001061700000000, 0.0000210400000000 ] - [ 0.0331758400000000, 0.0000000000000000, -0.0002870600000000 ] - [ 0.0331758400000000, 0.0000000000000000, 0.0002870600000000 ] - [ -0.0081368900000000, -0.0001061700000000, -0.0000210400000000 ] - [ -0.0081368900000000, -0.0001061700000000, 0.0000210400000000 ] - [ 0.0000034200000000, 0.0000899000000000, 0.0000003800000000 ] - [ 0.0000034200000000, 0.0000899000000000, -0.0000003800000000 ] - [ -0.0000023100000000, 0.0000000000000000, -0.0000012900000000 ] - [ -0.0000023100000000, 0.0000000000000000, 0.0000012900000000 ] - [ 0.0000034200000000, -0.0000899000000000, 0.0000003800000000 ] - [ 0.0000034200000000, -0.0000899000000000, -0.0000003800000000 ] - [ 0.0000096300000000, -0.0000777700000000, 0.0000023600000000 ] - [ 0.0000096300000000, -0.0000777700000000, -0.0000023600000000 ] - [ -0.0000214100000000, 0.0000815300000000, 0.0000010200000000 ] - [ -0.0000214100000000, 0.0000815300000000, -0.0000010200000000 ] - [ -0.0000214100000000, -0.0000815300000000, 0.0000010200000000 ] - [ -0.0000214100000000, -0.0000815300000000, -0.0000010200000000 ] - [ 0.0000096300000000, 0.0000777700000000, 0.0000023600000000 ] - [ 0.0000096300000000, 0.0000777700000000, -0.0000023600000000 ] - [ -0.0033284700000000, -0.0043783600000000, 0.0000000000000000 ] - [ 0.0018356500000000, -0.0043446300000000, 0.0000000000000000 ] - [ 0.0008744900000000, 0.0043590000000000, 0.0000000000000000 ] - [ 0.0000604000000000, 0.0043724000000000, 0.0000000000000000 ] - [ 0.0008744900000000, -0.0043590000000000, 0.0000000000000000 ] - [ 0.0000604000000000, -0.0043724000000000, 0.0000000000000000 ] - [ -0.0033284700000000, 0.0043783600000000, 0.0000000000000000 ] - [ 0.0018356500000000, 0.0043446300000000, 0.0000000000000000 ] - [ -0.0067116700000000, 0.0145293200000000, 0.0000000000000000 ] - [ 0.0003187500000000, -0.0012122000000000, 0.0000000000000000 ] - [ -0.0079144200000000, 0.0160822200000000, 0.0000000000000000 ] - [ 0.0004616000000000, -0.0008758700000000, 0.0000000000000000 ] - [ -0.0079144200000000, -0.0160822200000000, 0.0000000000000000 ] - [ 0.0004616000000000, 0.0008758700000000, 0.0000000000000000 ] - [ -0.0016039000000000, -0.0041862600000000, 0.0000000000000000 ] - [ -0.0006407300000000, 0.0012835900000000, 0.0000000000000000 ] - [ -0.0005466900000000, 0.0008856200000000, 0.0000000000000000 ] - [ -0.0001086000000000, 0.0000258700000000, 0.0000000000000000 ] - [ -0.0067116700000000, -0.0145293200000000, 0.0000000000000000 ] - [ 0.0003187500000000, 0.0012122000000000, 0.0000000000000000 ] - [ -0.0014393700000000, 0.0040646300000000, 0.0000000000000000 ] - [ -0.0005038800000000, -0.0014414000000000, 0.0000000000000000 ] - [ 0.0000380000000000, 0.0000020000000000, 0.0000000000000000 ] - [ 0.0000508000000000, 0.0000897100000000, 0.0000000000000000 ] - [ -0.0005440300000000, -0.0008745000000000, 0.0000000000000000 ] - [ -0.0001145000000000, -0.0000369900000000, 0.0000000000000000 ] - [ -0.0000949600000000, 0.0001424200000000, 0.0000000000000000 ] - [ -0.0000883700000000, 0.0000437200000000, 0.0000000000000000 ] - [ 0.0145080400000000, 0.0000000000000000, 0.0001719800000000 ] - [ 0.0145080400000000, 0.0000000000000000, -0.0001719800000000 ] - [ -0.0058210000000000, -0.0001892800000000, 0.0000093800000000 ] - [ -0.0058210000000000, -0.0001892800000000, -0.0000093800000000 ] - [ -0.0001312500000000, 0.0045315600000000, -0.0000078100000000 ] - [ -0.0001312500000000, 0.0045315600000000, 0.0000078100000000 ] - [ -0.0000464300000000, -0.0045349200000000, -0.0000032400000000 ] - [ -0.0000464300000000, -0.0045349200000000, 0.0000032400000000 ] - [ -0.0000033900000000, 0.0001627100000000, -0.0000015200000000 ] - [ -0.0000033900000000, 0.0001627100000000, 0.0000015200000000 ] - [ -0.0001118200000000, -0.0001476100000000, 0.0000000000000000 ] - [ -0.0001057300000000, -0.0001525200000000, 0.0000000000000000 ] - [ 0.0000852100000000, 0.0001686800000000, 0.0000000000000000 ] - [ 0.0001014000000000, 0.0001545800000000, 0.0000000000000000 ] - [ 0.0000852100000000, -0.0001686800000000, 0.0000000000000000 ] - [ 0.0001014000000000, -0.0001545800000000, 0.0000000000000000 ] - [ -0.0000949600000000, -0.0001424200000000, 0.0000000000000000 ] - [ -0.0000883700000000, -0.0000437200000000, 0.0000000000000000 ] - [ -0.0005440300000000, 0.0008745000000000, 0.0000000000000000 ] - [ -0.0001145000000000, 0.0000369900000000, 0.0000000000000000 ] - [ -0.0001118200000000, 0.0001476100000000, 0.0000000000000000 ] - [ -0.0001057300000000, 0.0001525200000000, 0.0000000000000000 ] - [ 0.0000380000000000, -0.0000020000000000, 0.0000000000000000 ] - [ 0.0000508000000000, -0.0000897100000000, 0.0000000000000000 ] - [ -0.0014393700000000, -0.0040646300000000, 0.0000000000000000 ] - [ -0.0005038800000000, 0.0014414000000000, 0.0000000000000000 ] - [ -0.0005466900000000, -0.0008856200000000, 0.0000000000000000 ] - [ -0.0001086000000000, -0.0000258700000000, 0.0000000000000000 ] - [ -0.0016039000000000, 0.0041862600000000, 0.0000000000000000 ] - [ -0.0006407300000000, -0.0012835900000000, 0.0000000000000000 ] - [ -0.0000014100000000, 0.0000000000000000, -0.0000050800000000 ] - [ -0.0000014100000000, 0.0000000000000000, 0.0000050800000000 ] - [ -0.0000033900000000, -0.0001627100000000, -0.0000015200000000 ] - [ -0.0000033900000000, -0.0001627100000000, 0.0000015200000000 ] - [ -0.0000464300000000, 0.0045349200000000, -0.0000032400000000 ] - [ -0.0000464300000000, 0.0045349200000000, 0.0000032400000000 ] - [ -0.0001312500000000, -0.0045315600000000, -0.0000078100000000 ] - [ -0.0001312500000000, -0.0045315600000000, 0.0000078100000000 ] - [ -0.0058210000000000, 0.0001892800000000, 0.0000093800000000 ] - [ -0.0058210000000000, 0.0001892800000000, -0.0000093800000000 ] - [ -0.1299522000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0012953000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0665679100000000, 0.0007108800000000, 0.0000000000000000 ] - [ -0.0003100200000000, 0.0005620800000000, 0.0000000000000000 ] - [ -0.0000311300000000, -0.0005811800000000, 0.0000000000000000 ] - [ 0.0000240500000000, -0.0005797000000000, 0.0000000000000000 ] - [ 0.0000342900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000021700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000311300000000, 0.0005811800000000, 0.0000000000000000 ] - [ 0.0000240500000000, 0.0005797000000000, 0.0000000000000000 ] - [ 0.0665679100000000, -0.0007108800000000, 0.0000000000000000 ] - [ -0.0003100200000000, -0.0005620800000000, 0.0000000000000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0103689000000000, 0.0209900300000000 ] - [ 0.0000000000000000, 0.0103689000000000, -0.0209900300000000 ] - [ 0.0000000000000000, -0.0327610300000000, 0.0000396000000000 ] - [ 0.0000000000000000, -0.0327610300000000, -0.0000396000000000 ] - [ 0.0000000000000000, 0.0103554500000000, -0.0212509100000000 ] - [ 0.0000000000000000, 0.0103554500000000, 0.0212509100000000 ] - [ 0.0000000000000000, 0.0042988200000000, -0.0001645100000000 ] - [ 0.0000000000000000, 0.0042988200000000, 0.0001645100000000 ] - [ 0.0000000000000000, 0.0041481400000000, -0.0000006800000000 ] - [ 0.0000000000000000, 0.0041481400000000, 0.0000006800000000 ] - [ 0.0000000000000000, 0.0041232100000000, 0.0001634900000000 ] - [ 0.0000000000000000, 0.0041232100000000, -0.0001634900000000 ] - [ 0.0000000000000000, 0.0016387000000000, -0.0008966500000000 ] - [ 0.0000000000000000, 0.0016387000000000, 0.0008966500000000 ] - [ 0.0000000000000000, 0.0018683500000000, -0.0002579800000000 ] - [ 0.0000000000000000, 0.0018683500000000, 0.0002579800000000 ] - [ 0.0000000000000000, 0.0017095900000000, 0.0002571300000000 ] - [ 0.0000000000000000, 0.0017095900000000, -0.0002571300000000 ] - [ 0.0000000000000000, 0.0017939200000000, 0.0008934400000000 ] - [ 0.0000000000000000, 0.0017939200000000, -0.0008934400000000 ] - [ 0.0000000000000000, 0.0176522300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0056478400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0217816300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0180245300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0130538500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0093049400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0263518400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0143844700000000, 0.0000000000000000 ] - [ -0.0033592700000000, 0.0228772500000000, 0.0000000000000000 ] - [ -0.0074791200000000, 0.0178231900000000, 0.0000000000000000 ] - [ -0.0046701800000000, 0.0246062200000000, 0.0000000000000000 ] - [ -0.0073314700000000, 0.0182134900000000, 0.0000000000000000 ] - [ 0.0033592700000000, 0.0228772500000000, 0.0000000000000000 ] - [ 0.0074791200000000, 0.0178231900000000, 0.0000000000000000 ] - [ 0.0072436800000000, -0.0135055600000000, 0.0000000000000000 ] - [ 0.0003146000000000, -0.0014380800000000, 0.0000000000000000 ] - [ 0.0058441300000000, -0.0093781500000000, 0.0000000000000000 ] - [ 0.0040473300000000, -0.0057785000000000, 0.0000000000000000 ] - [ 0.0046701800000000, 0.0246062200000000, 0.0000000000000000 ] - [ 0.0073314700000000, 0.0182134900000000, 0.0000000000000000 ] - [ -0.0072436800000000, -0.0135055600000000, 0.0000000000000000 ] - [ -0.0003146000000000, -0.0014380800000000, 0.0000000000000000 ] - [ 0.0039639000000000, -0.0072621100000000, 0.0000000000000000 ] - [ 0.0035335800000000, -0.0061711900000000, 0.0000000000000000 ] - [ -0.0058441300000000, -0.0093781500000000, 0.0000000000000000 ] - [ -0.0040473300000000, -0.0057785000000000, 0.0000000000000000 ] - [ -0.0039639000000000, -0.0072621100000000, 0.0000000000000000 ] - [ -0.0035335800000000, -0.0061711900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0272108700000000, 0.0001858100000000 ] - [ 0.0000000000000000, 0.0272108700000000, -0.0001858100000000 ] - [ 0.0000000000000000, -0.0007971300000000, 0.0183178100000000 ] - [ 0.0000000000000000, -0.0007971300000000, -0.0183178100000000 ] - [ 0.0000000000000000, 0.0019056200000000, 0.0027018400000000 ] - [ 0.0000000000000000, 0.0019056200000000, -0.0027018400000000 ] - [ 0.0000000000000000, -0.0075416000000000, 0.0008138800000000 ] - [ 0.0000000000000000, -0.0075416000000000, -0.0008138800000000 ] - [ 0.0000000000000000, -0.0028390800000000, 0.0001960200000000 ] - [ 0.0000000000000000, -0.0028390800000000, -0.0001960200000000 ] - [ 0.0027814900000000, -0.0065638900000000, 0.0000000000000000 ] - [ 0.0026335000000000, -0.0062278100000000, 0.0000000000000000 ] - [ 0.0029820800000000, -0.0062529600000000, 0.0000000000000000 ] - [ 0.0028425100000000, -0.0059255000000000, 0.0000000000000000 ] - [ -0.0027814900000000, -0.0065638900000000, 0.0000000000000000 ] - [ -0.0026335000000000, -0.0062278100000000, 0.0000000000000000 ] - [ 0.0038417900000000, -0.0073897300000000, 0.0000000000000000 ] - [ 0.0034072300000000, -0.0062979400000000, 0.0000000000000000 ] - [ 0.0058433500000000, -0.0093726700000000, 0.0000000000000000 ] - [ 0.0040490100000000, -0.0057816000000000, 0.0000000000000000 ] - [ -0.0029820800000000, -0.0062529600000000, 0.0000000000000000 ] - [ -0.0028425100000000, -0.0059255000000000, 0.0000000000000000 ] - [ -0.0038417900000000, -0.0073897300000000, 0.0000000000000000 ] - [ -0.0034072300000000, -0.0062979400000000, 0.0000000000000000 ] - [ 0.0073833500000000, -0.0133537500000000, 0.0000000000000000 ] - [ 0.0004587800000000, -0.0013252500000000, 0.0000000000000000 ] - [ -0.0058433500000000, -0.0093726700000000, 0.0000000000000000 ] - [ -0.0040490100000000, -0.0057816000000000, 0.0000000000000000 ] - [ -0.0073833500000000, -0.0133537500000000, 0.0000000000000000 ] - [ -0.0004587800000000, -0.0013252500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0033468800000000, -0.0000035300000000 ] - [ 0.0000000000000000, -0.0033468800000000, 0.0000035300000000 ] - [ 0.0000000000000000, -0.0031572500000000, -0.0001946600000000 ] - [ 0.0000000000000000, -0.0031572500000000, 0.0001946600000000 ] - [ 0.0000000000000000, 0.0015456600000000, -0.0008126400000000 ] - [ 0.0000000000000000, 0.0015456600000000, 0.0008126400000000 ] - [ 0.0000000000000000, -0.0071810500000000, -0.0026942400000000 ] - [ 0.0000000000000000, -0.0071810500000000, 0.0026942400000000 ] - [ 0.0000000000000000, -0.0004724100000000, -0.0182571400000000 ] - [ 0.0000000000000000, -0.0004724100000000, 0.0182571400000000 ] - [ 0.0000000000000000, -0.1973859700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0353985000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0506191700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0156462900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0117310700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0107031800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0117996500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0113277800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0128879300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0118652900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0492507800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0166879100000000, 0.0000000000000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0186016500000000, 0.0047024600000000 ] - [ 0.0000000000000000, -0.0186584200000000, 0.0046831500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0089188400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0088713700000000 ] - [ 0.0000000000000000, -0.0186016500000000, 0.0047024600000000 ] - [ 0.0000000000000000, 0.0186584200000000, 0.0046831500000000 ] - [ 0.0000000000000000, 0.0000846300000000, 0.0000000800000000 ] - [ 0.0000000000000000, 0.0000887200000000, 0.0000008000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000000700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000007900000000 ] - [ 0.0000000000000000, -0.0000846300000000, 0.0000000800000000 ] - [ 0.0000000000000000, -0.0000887200000000, 0.0000008000000000 ] - [ 0.0000000000000000, -0.0001741300000000, -0.0000021400000000 ] - [ 0.0000000000000000, 0.0000134800000000, -0.0000032300000000 ] - [ 0.0000000000000000, 0.0000495500000000, 0.0000004800000000 ] - [ 0.0000000000000000, 0.0001183600000000, -0.0000000300000000 ] - [ 0.0000000000000000, -0.0000495500000000, 0.0000004800000000 ] - [ 0.0000000000000000, -0.0001183600000000, -0.0000000300000000 ] - [ 0.0000000000000000, 0.0001741300000000, -0.0000021400000000 ] - [ 0.0000000000000000, -0.0000134800000000, -0.0000032300000000 ] - [ 0.0000000000000000, -0.0043765000000000, -0.0012153600000000 ] - [ 0.0000000000000000, -0.0043681800000000, 0.0013998300000000 ] - [ 0.0000000000000000, 0.0043655100000000, 0.0000012300000000 ] - [ 0.0000000000000000, 0.0043693300000000, 0.0000198200000000 ] - [ 0.0000000000000000, -0.0043655100000000, 0.0000012300000000 ] - [ 0.0000000000000000, -0.0043693300000000, 0.0000198200000000 ] - [ 0.0000000000000000, 0.0043765000000000, -0.0012153600000000 ] - [ 0.0000000000000000, 0.0043681800000000, 0.0013998300000000 ] - [ -0.0002430700000000, -0.0000109000000000, 0.0174351600000000 ] - [ -0.0001086300000000, -0.0001406300000000, -0.0146011500000000 ] - [ 0.0002430700000000, 0.0000109000000000, 0.0174351600000000 ] - [ 0.0001086300000000, 0.0001406300000000, -0.0146011500000000 ] - [ 0.0002430700000000, -0.0000109000000000, 0.0174351600000000 ] - [ 0.0001086300000000, -0.0001406300000000, -0.0146011500000000 ] - [ -0.0000749900000000, -0.0000528800000000, 0.0011257400000000 ] - [ -0.0000742800000000, -0.0000655100000000, -0.0012406200000000 ] - [ 0.0000001300000000, 0.0000021800000000, 0.0000851000000000 ] - [ 0.0000009100000000, -0.0000014400000000, -0.0001177900000000 ] - [ -0.0002430700000000, 0.0000109000000000, 0.0174351600000000 ] - [ -0.0001086300000000, 0.0001406300000000, -0.0146011500000000 ] - [ 0.0000749900000000, -0.0000528800000000, 0.0011257400000000 ] - [ 0.0000742800000000, -0.0000655100000000, -0.0012406200000000 ] - [ 0.0000660500000000, 0.0000659800000000, 0.0000015700000000 ] - [ 0.0000671200000000, 0.0000645900000000, -0.0000042500000000 ] - [ -0.0000001300000000, 0.0000021800000000, 0.0000851000000000 ] - [ -0.0000009100000000, -0.0000014400000000, -0.0001177900000000 ] - [ -0.0000660500000000, 0.0000659800000000, 0.0000015700000000 ] - [ -0.0000671200000000, 0.0000645900000000, -0.0000042500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0241356900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0199858100000000 ] - [ 0.0000000000000000, 0.0004952500000000, -0.0003179600000000 ] - [ 0.0000000000000000, -0.0007865400000000, -0.0002240000000000 ] - [ 0.0000000000000000, 0.0056174000000000, -0.0000286900000000 ] - [ 0.0000000000000000, 0.0034399300000000, -0.0000262400000000 ] - [ 0.0000000000000000, -0.0045357000000000, -0.0000060600000000 ] - [ 0.0000000000000000, -0.0045342500000000, -0.0000037700000000 ] - [ 0.0000000000000000, 0.0001601400000000, -0.0000024500000000 ] - [ 0.0000000000000000, 0.0001577200000000, 0.0000004500000000 ] - [ -0.0001016100000000, -0.0001568100000000, 0.0000001500000000 ] - [ -0.0001042900000000, -0.0001543600000000, -0.0000007800000000 ] - [ 0.0001016100000000, 0.0001568100000000, 0.0000001500000000 ] - [ 0.0001042900000000, 0.0001543600000000, -0.0000007800000000 ] - [ 0.0001016100000000, -0.0001568100000000, 0.0000001500000000 ] - [ 0.0001042900000000, -0.0001543600000000, -0.0000007800000000 ] - [ -0.0000660500000000, -0.0000659800000000, 0.0000015700000000 ] - [ -0.0000671200000000, -0.0000645900000000, -0.0000042500000000 ] - [ -0.0000001300000000, -0.0000021800000000, 0.0000851000000000 ] - [ -0.0000009100000000, 0.0000014400000000, -0.0001177900000000 ] - [ -0.0001016100000000, 0.0001568100000000, 0.0000001500000000 ] - [ -0.0001042900000000, 0.0001543600000000, -0.0000007800000000 ] - [ 0.0000660500000000, -0.0000659800000000, 0.0000015700000000 ] - [ 0.0000671200000000, -0.0000645900000000, -0.0000042500000000 ] - [ 0.0000749900000000, 0.0000528800000000, 0.0011257400000000 ] - [ 0.0000742800000000, 0.0000655100000000, -0.0012406200000000 ] - [ 0.0000001300000000, -0.0000021800000000, 0.0000851000000000 ] - [ 0.0000009100000000, 0.0000014400000000, -0.0001177900000000 ] - [ -0.0000749900000000, 0.0000528800000000, 0.0011257400000000 ] - [ -0.0000742800000000, 0.0000655100000000, -0.0012406200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000037100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000028000000000 ] - [ 0.0000000000000000, -0.0001601400000000, -0.0000024500000000 ] - [ 0.0000000000000000, -0.0001577200000000, 0.0000004500000000 ] - [ 0.0000000000000000, 0.0045357000000000, -0.0000060600000000 ] - [ 0.0000000000000000, 0.0045342500000000, -0.0000037700000000 ] - [ 0.0000000000000000, -0.0056174000000000, -0.0000286900000000 ] - [ 0.0000000000000000, -0.0034399300000000, -0.0000262400000000 ] - [ 0.0000000000000000, -0.0004952500000000, -0.0003179600000000 ] - [ 0.0000000000000000, 0.0007865400000000, -0.0002240000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1429390200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1401817500000000 ] - [ 0.0000000000000000, 0.0004481700000000, -0.0030494400000000 ] - [ 0.0000000000000000, 0.0006067100000000, 0.0032438500000000 ] - [ 0.0000000000000000, -0.0005764400000000, -0.0000005400000000 ] - [ 0.0000000000000000, -0.0005769100000000, 0.0000043700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000015900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000013900000000 ] - [ 0.0000000000000000, 0.0005764400000000, -0.0000005400000000 ] - [ 0.0000000000000000, 0.0005769100000000, 0.0000043700000000 ] - [ 0.0000000000000000, -0.0004481700000000, -0.0030494400000000 ] - [ 0.0000000000000000, -0.0006067100000000, 0.0032438500000000 ]- atom: 91 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000929700000000, 0.0000890300000000, 0.0000016700000000 ] - [ 0.0000929700000000, 0.0000890300000000, -0.0000016700000000 ] - [ -0.0074183700000000, 0.0000161900000000, -0.0000210400000000 ] - [ -0.0074183700000000, 0.0000161900000000, 0.0000210400000000 ] - [ 0.0328841300000000, -0.0001146900000000, -0.0002936800000000 ] - [ 0.0328841300000000, -0.0001146900000000, 0.0002936800000000 ] - [ -0.0000845600000000, 0.0000899800000000, 0.0000005200000000 ] - [ -0.0000845600000000, 0.0000899800000000, -0.0000005200000000 ] - [ 0.0000028700000000, -0.0000003400000000, -0.0000007900000000 ] - [ 0.0000028700000000, -0.0000003400000000, 0.0000007900000000 ] - [ -0.0000012900000000, -0.0000883300000000, 0.0000010800000000 ] - [ -0.0000012900000000, -0.0000883300000000, -0.0000010800000000 ] - [ -0.0036191300000000, -0.0000843700000000, -0.0000214800000000 ] - [ -0.0036191300000000, -0.0000843700000000, 0.0000214800000000 ] - [ 0.0000563500000000, 0.0000874600000000, 0.0000008900000000 ] - [ 0.0000563500000000, 0.0000874600000000, -0.0000008900000000 ] - [ 0.0000015700000000, -0.0000804300000000, 0.0000003300000000 ] - [ 0.0000015700000000, -0.0000804300000000, -0.0000003300000000 ] - [ -0.0000223100000000, 0.0000806000000000, 0.0000005200000000 ] - [ -0.0000223100000000, 0.0000806000000000, -0.0000005200000000 ] - [ 0.0870249200000000, -0.0041165600000000, 0.0000000000000000 ] - [ 0.0003105000000000, -0.0044053600000000, 0.0000000000000000 ] - [ -0.0044442300000000, 0.0043639500000000, 0.0000000000000000 ] - [ 0.0020029900000000, 0.0043839900000000, 0.0000000000000000 ] - [ -0.0000454200000000, -0.0043597200000000, 0.0000000000000000 ] - [ 0.0000237500000000, -0.0043624000000000, 0.0000000000000000 ] - [ 0.0006849300000000, 0.0043712000000000, 0.0000000000000000 ] - [ 0.0000359500000000, 0.0043631100000000, 0.0000000000000000 ] - [ -0.0022318600000000, -0.0033822400000000, 0.0000000000000000 ] - [ -0.0004697600000000, 0.0010560300000000, 0.0000000000000000 ] - [ -0.0095374000000000, 0.0166376200000000, 0.0000000000000000 ] - [ 0.0004096600000000, -0.0007653000000000, 0.0000000000000000 ] - [ -0.0020657900000000, 0.0030442600000000, 0.0000000000000000 ] - [ -0.0002695700000000, -0.0013510700000000, 0.0000000000000000 ] - [ -0.0112853900000000, 0.0138194900000000, 0.0000000000000000 ] - [ 0.0005454000000000, -0.0013817800000000, 0.0000000000000000 ] - [ -0.0025500900000000, -0.0039508900000000, 0.0000000000000000 ] - [ -0.0014397200000000, 0.0014863000000000, 0.0000000000000000 ] - [ -0.0110444200000000, -0.0174534600000000, 0.0000000000000000 ] - [ 0.0001239000000000, 0.0010302500000000, 0.0000000000000000 ] - [ -0.0097192600000000, -0.0125637200000000, 0.0000000000000000 ] - [ 0.0007845600000000, 0.0013165400000000, 0.0000000000000000 ] - [ -0.0004182700000000, 0.0011772600000000, 0.0000000000000000 ] - [ -0.0000782100000000, 0.0001692000000000, 0.0000000000000000 ] - [ -0.0025240400000000, 0.0039539700000000, 0.0000000000000000 ] - [ -0.0014518900000000, -0.0014999900000000, 0.0000000000000000 ] - [ -0.0005469700000000, -0.0010342500000000, 0.0000000000000000 ] - [ -0.0002169400000000, -0.0000450300000000, 0.0000000000000000 ] - [ -0.0057127700000000, 0.0000265000000000, 0.0000116900000000 ] - [ -0.0057127700000000, 0.0000265000000000, -0.0000116900000000 ] - [ 0.0147328100000000, -0.0001610400000000, 0.0001210200000000 ] - [ 0.0147328100000000, -0.0001610400000000, -0.0001210200000000 ] - [ -0.0079300800000000, 0.0045092500000000, 0.0000503000000000 ] - [ -0.0079300800000000, 0.0045092500000000, -0.0000503000000000 ] - [ -0.0000895500000000, -0.0045405400000000, -0.0000038300000000 ] - [ -0.0000895500000000, -0.0045405400000000, 0.0000038300000000 ] - [ -0.0000760200000000, 0.0001591900000000, -0.0000019300000000 ] - [ -0.0000760200000000, 0.0001591900000000, 0.0000019300000000 ] - [ -0.0001228500000000, -0.0002338100000000, 0.0000000000000000 ] - [ -0.0001142300000000, -0.0001358200000000, 0.0000000000000000 ] - [ 0.0000885900000000, 0.0001655300000000, 0.0000000000000000 ] - [ 0.0001035100000000, 0.0001516400000000, 0.0000000000000000 ] - [ 0.0000732700000000, -0.0000833600000000, 0.0000000000000000 ] - [ 0.0000880800000000, -0.0001788800000000, 0.0000000000000000 ] - [ -0.0000787100000000, -0.0000574200000000, 0.0000000000000000 ] - [ -0.0000699200000000, -0.0000638000000000, 0.0000000000000000 ] - [ -0.0000052000000000, -0.0000683000000000, 0.0000000000000000 ] - [ -0.0000175900000000, 0.0000194600000000, 0.0000000000000000 ] - [ -0.0001142600000000, 0.0001435700000000, 0.0000000000000000 ] - [ -0.0001072400000000, 0.0001486200000000, 0.0000000000000000 ] - [ 0.0000543600000000, -0.0000771700000000, 0.0000000000000000 ] - [ 0.0000659700000000, -0.0000668900000000, 0.0000000000000000 ] - [ -0.0003321100000000, 0.0008465800000000, 0.0000000000000000 ] - [ -0.0000106100000000, 0.0000705100000000, 0.0000000000000000 ] - [ -0.0000082600000000, 0.0000620600000000, 0.0000000000000000 ] - [ -0.0000194600000000, -0.0000196000000000, 0.0000000000000000 ] - [ -0.0004697100000000, -0.0007238700000000, 0.0000000000000000 ] - [ -0.0001442700000000, 0.0000643000000000, 0.0000000000000000 ] - [ -0.0000031600000000, -0.0000015200000000, -0.0000047600000000 ] - [ -0.0000031600000000, -0.0000015200000000, 0.0000047600000000 ] - [ -0.0000012100000000, -0.0001614100000000, -0.0000008200000000 ] - [ -0.0000012100000000, -0.0001614100000000, 0.0000008200000000 ] - [ 0.0000007300000000, 0.0045362400000000, -0.0000012100000000 ] - [ 0.0000007300000000, 0.0045362400000000, 0.0000012100000000 ] - [ -0.0000492500000000, -0.0045359300000000, -0.0000024300000000 ] - [ -0.0000492500000000, -0.0045359300000000, 0.0000024300000000 ] - [ -0.0001912000000000, 0.0001623100000000, -0.0000068400000000 ] - [ -0.0001912000000000, 0.0001623100000000, 0.0000068400000000 ] - [ 0.0665706600000000, -0.0001319200000000, 0.0000000000000000 ] - [ -0.0003097600000000, 0.0000289400000000, 0.0000000000000000 ] - [ -0.1402332700000000, 0.0002249800000000, 0.0000000000000000 ] - [ -0.0017877000000000, 0.0005690100000000, 0.0000000000000000 ] - [ 0.0008660800000000, -0.0005832200000000, 0.0000000000000000 ] - [ 0.0001450200000000, -0.0005738600000000, 0.0000000000000000 ] - [ -0.0000322500000000, 0.0000038400000000, 0.0000000000000000 ] - [ 0.0000244500000000, 0.0000053700000000, 0.0000000000000000 ] - [ 0.0000372000000000, 0.0005812000000000, 0.0000000000000000 ] - [ 0.0000036600000000, 0.0005840900000000, 0.0000000000000000 ] - [ -0.0023190600000000, -0.0005600400000000, 0.0000000000000000 ] - [ 0.0014232900000000, -0.0005894800000000, 0.0000000000000000 ]- atom: 91 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0042510400000000, 0.0018805900000000 ] - [ 0.0000000000000000, 0.0042510400000000, -0.0018805900000000 ] - [ 0.0000000000000000, 0.0098255100000000, 0.0197131500000000 ] - [ 0.0000000000000000, 0.0098255100000000, -0.0197131500000000 ] - [ 0.0000000000000000, -0.0330087600000000, 0.0004904600000000 ] - [ 0.0000000000000000, -0.0330087600000000, -0.0004904600000000 ] - [ 0.0000000000000000, 0.0043768300000000, -0.0007411400000000 ] - [ 0.0000000000000000, 0.0043768300000000, 0.0007411400000000 ] - [ 0.0000000000000000, 0.0042291700000000, -0.0001689600000000 ] - [ 0.0000000000000000, 0.0042291700000000, 0.0001689600000000 ] - [ 0.0000000000000000, 0.0042116700000000, -0.0000001000000000 ] - [ 0.0000000000000000, 0.0042116700000000, 0.0000001000000000 ] - [ 0.0000000000000000, 0.0032361000000000, -0.0097995900000000 ] - [ 0.0000000000000000, 0.0032361000000000, 0.0097995900000000 ] - [ 0.0000000000000000, 0.0018351600000000, -0.0011984800000000 ] - [ 0.0000000000000000, 0.0018351600000000, 0.0011984800000000 ] - [ 0.0000000000000000, 0.0017608600000000, 0.0000584600000000 ] - [ 0.0000000000000000, 0.0017608600000000, -0.0000584600000000 ] - [ 0.0000000000000000, 0.0019081400000000, 0.0002147200000000 ] - [ 0.0000000000000000, 0.0019081400000000, -0.0002147200000000 ] - [ 0.0000000000000000, 0.0579353900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0252607700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0292928100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0116774300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0119789200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0109758300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0216474900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0188022000000000, 0.0000000000000000 ] - [ 0.0063763800000000, -0.0132875700000000, 0.0000000000000000 ] - [ -0.0003288400000000, -0.0010928400000000, 0.0000000000000000 ] - [ -0.0005503200000000, 0.0207734600000000, 0.0000000000000000 ] - [ -0.0069058900000000, 0.0174674000000000, 0.0000000000000000 ] - [ -0.0063763800000000, -0.0132875700000000, 0.0000000000000000 ] - [ 0.0003288400000000, -0.0010928400000000, 0.0000000000000000 ] - [ -0.0093803600000000, 0.0284390100000000, 0.0000000000000000 ] - [ -0.0104975500000000, 0.0187339900000000, 0.0000000000000000 ] - [ 0.0095362500000000, -0.0161533400000000, 0.0000000000000000 ] - [ 0.0007310300000000, 0.0002592400000000, 0.0000000000000000 ] - [ 0.0005503200000000, 0.0207734600000000, 0.0000000000000000 ] - [ 0.0069058900000000, 0.0174674000000000, 0.0000000000000000 ] - [ 0.0093803600000000, 0.0284390100000000, 0.0000000000000000 ] - [ 0.0104975500000000, 0.0187339900000000, 0.0000000000000000 ] - [ 0.0047864800000000, -0.0092688900000000, 0.0000000000000000 ] - [ 0.0028800400000000, -0.0045407300000000, 0.0000000000000000 ] - [ -0.0095362500000000, -0.0161533400000000, 0.0000000000000000 ] - [ -0.0007310300000000, 0.0002592400000000, 0.0000000000000000 ] - [ -0.0047864800000000, -0.0092688900000000, 0.0000000000000000 ] - [ -0.0028800400000000, -0.0045407300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0008388000000000, -0.0175981800000000 ] - [ 0.0000000000000000, -0.0008388000000000, 0.0175981800000000 ] - [ 0.0000000000000000, 0.0264178200000000, -0.0003926500000000 ] - [ 0.0000000000000000, 0.0264178200000000, 0.0003926500000000 ] - [ 0.0000000000000000, 0.0038277500000000, 0.0241391300000000 ] - [ 0.0000000000000000, 0.0038277500000000, -0.0241391300000000 ] - [ 0.0000000000000000, -0.0076001800000000, 0.0038568500000000 ] - [ 0.0000000000000000, -0.0076001800000000, -0.0038568500000000 ] - [ 0.0000000000000000, -0.0028975000000000, 0.0008798800000000 ] - [ 0.0000000000000000, -0.0028975000000000, -0.0008798800000000 ] - [ 0.0030131100000000, -0.0070826400000000, 0.0000000000000000 ] - [ 0.0025097500000000, -0.0059611400000000, 0.0000000000000000 ] - [ 0.0030396500000000, -0.0063813400000000, 0.0000000000000000 ] - [ 0.0028927000000000, -0.0060416100000000, 0.0000000000000000 ] - [ -0.0030131100000000, -0.0070826400000000, 0.0000000000000000 ] - [ -0.0025097500000000, -0.0059611400000000, 0.0000000000000000 ] - [ 0.0037724300000000, -0.0071438700000000, 0.0000000000000000 ] - [ 0.0036318100000000, -0.0068014000000000, 0.0000000000000000 ] - [ 0.0052739500000000, -0.0080830400000000, 0.0000000000000000 ] - [ 0.0048389200000000, -0.0071962900000000, 0.0000000000000000 ] - [ -0.0030396500000000, -0.0063813400000000, 0.0000000000000000 ] - [ -0.0028927000000000, -0.0060416100000000, 0.0000000000000000 ] - [ -0.0037724300000000, -0.0071438700000000, 0.0000000000000000 ] - [ -0.0036318100000000, -0.0068014000000000, 0.0000000000000000 ] - [ 0.0045834200000000, -0.0083704100000000, 0.0000000000000000 ] - [ 0.0031014300000000, -0.0055256400000000, 0.0000000000000000 ] - [ -0.0052739500000000, -0.0080830400000000, 0.0000000000000000 ] - [ -0.0048389200000000, -0.0071962900000000, 0.0000000000000000 ] - [ -0.0045834200000000, -0.0083704100000000, 0.0000000000000000 ] - [ -0.0031014300000000, -0.0055256400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0034141700000000, 0.0001888500000000 ] - [ 0.0000000000000000, -0.0034141700000000, -0.0001888500000000 ] - [ 0.0000000000000000, -0.0032193400000000, 0.0000020200000000 ] - [ 0.0000000000000000, -0.0032193400000000, -0.0000020200000000 ] - [ 0.0000000000000000, 0.0014722800000000, -0.0001882700000000 ] - [ 0.0000000000000000, 0.0014722800000000, 0.0001882700000000 ] - [ 0.0000000000000000, -0.0075783700000000, -0.0006445600000000 ] - [ 0.0000000000000000, -0.0075783700000000, 0.0006445600000000 ] - [ 0.0000000000000000, -0.0025292100000000, -0.0023429800000000 ] - [ 0.0000000000000000, -0.0025292100000000, 0.0023429800000000 ] - [ 0.0000000000000000, 0.0498190100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0161014000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.1900994000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0344210800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0135246800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0094263700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0123094200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0112815200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0128521000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0123654500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0171894800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0067878500000000, 0.0000000000000000 ]- atom: 91 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0040732400000000, -0.0018937000000000 ] - [ 0.0000000000000000, -0.0040732400000000, 0.0018937000000000 ] - [ 0.0000000000000000, -0.0099905500000000, -0.0199598500000000 ] - [ 0.0000000000000000, -0.0099905500000000, 0.0199598500000000 ] - [ 0.0000000000000000, 0.0328409700000000, -0.0004120400000000 ] - [ 0.0000000000000000, 0.0328409700000000, 0.0004120400000000 ] - [ 0.0000000000000000, -0.0042064700000000, 0.0007360800000000 ] - [ 0.0000000000000000, -0.0042064700000000, -0.0007360800000000 ] - [ 0.0000000000000000, -0.0042306400000000, 0.0001656600000000 ] - [ 0.0000000000000000, -0.0042306400000000, -0.0001656600000000 ] - [ 0.0000000000000000, -0.0043880600000000, 0.0000002200000000 ] - [ 0.0000000000000000, -0.0043880600000000, -0.0000002200000000 ] - [ 0.0000000000000000, -0.0033300400000000, 0.0096877400000000 ] - [ 0.0000000000000000, -0.0033300400000000, -0.0096877400000000 ] - [ 0.0000000000000000, -0.0016735900000000, 0.0011931000000000 ] - [ 0.0000000000000000, -0.0016735900000000, -0.0011931000000000 ] - [ 0.0000000000000000, -0.0019204900000000, -0.0000586600000000 ] - [ 0.0000000000000000, -0.0019204900000000, 0.0000586600000000 ] - [ 0.0000000000000000, -0.0017516000000000, -0.0002160100000000 ] - [ 0.0000000000000000, -0.0017516000000000, 0.0002160100000000 ] - [ 0.0000000000000000, -0.0663074300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0163840500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0205314300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0029789500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0207152300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0197128600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0129329900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100791500000000, 0.0000000000000000 ] - [ -0.0065668200000000, 0.0130042300000000, 0.0000000000000000 ] - [ 0.0001438000000000, 0.0007672800000000, 0.0000000000000000 ] - [ 0.0021439300000000, -0.0218098800000000, 0.0000000000000000 ] - [ 0.0071736300000000, -0.0172544000000000, 0.0000000000000000 ] - [ 0.0065668200000000, 0.0130042300000000, 0.0000000000000000 ] - [ -0.0001438000000000, 0.0007672800000000, 0.0000000000000000 ] - [ 0.0076132100000000, -0.0271475900000000, 0.0000000000000000 ] - [ 0.0102900100000000, -0.0187806400000000, 0.0000000000000000 ] - [ -0.0095502500000000, 0.0161244300000000, 0.0000000000000000 ] - [ -0.0007532900000000, -0.0002296100000000, 0.0000000000000000 ] - [ -0.0021439300000000, -0.0218098800000000, 0.0000000000000000 ] - [ -0.0071736300000000, -0.0172544000000000, 0.0000000000000000 ] - [ -0.0076132100000000, -0.0271475900000000, 0.0000000000000000 ] - [ -0.0102900100000000, -0.0187806400000000, 0.0000000000000000 ] - [ -0.0046607300000000, 0.0093966800000000, 0.0000000000000000 ] - [ -0.0027536100000000, 0.0046780600000000, 0.0000000000000000 ] - [ 0.0095502500000000, 0.0161244300000000, 0.0000000000000000 ] - [ 0.0007532900000000, -0.0002296100000000, 0.0000000000000000 ] - [ 0.0046607300000000, 0.0093966800000000, 0.0000000000000000 ] - [ 0.0027536100000000, 0.0046780600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0008444800000000, 0.0176632900000000 ] - [ 0.0000000000000000, 0.0008444800000000, -0.0176632900000000 ] - [ 0.0000000000000000, -0.0267155400000000, 0.0007601600000000 ] - [ 0.0000000000000000, -0.0267155400000000, -0.0007601600000000 ] - [ 0.0000000000000000, 0.0052472000000000, -0.0240349300000000 ] - [ 0.0000000000000000, 0.0052472000000000, 0.0240349300000000 ] - [ 0.0000000000000000, -0.0014802500000000, -0.0038436000000000 ] - [ 0.0000000000000000, -0.0014802500000000, 0.0038436000000000 ] - [ 0.0000000000000000, 0.0032152600000000, -0.0008795500000000 ] - [ 0.0000000000000000, 0.0032152600000000, 0.0008795500000000 ] - [ -0.0032134500000000, 0.0067679200000000, 0.0000000000000000 ] - [ -0.0027185400000000, 0.0056576100000000, 0.0000000000000000 ] - [ -0.0028402100000000, 0.0066976600000000, 0.0000000000000000 ] - [ -0.0026855000000000, 0.0063506900000000, 0.0000000000000000 ] - [ 0.0032134500000000, 0.0067679200000000, 0.0000000000000000 ] - [ 0.0027185400000000, 0.0056576100000000, 0.0000000000000000 ] - [ -0.0039021900000000, 0.0070179800000000, 0.0000000000000000 ] - [ -0.0037664800000000, 0.0066798200000000, 0.0000000000000000 ] - [ -0.0052762800000000, 0.0080881300000000, 0.0000000000000000 ] - [ -0.0048396700000000, 0.0071991600000000, 0.0000000000000000 ] - [ 0.0028402100000000, 0.0066976600000000, 0.0000000000000000 ] - [ 0.0026855000000000, 0.0063506900000000, 0.0000000000000000 ] - [ 0.0039021900000000, 0.0070179800000000, 0.0000000000000000 ] - [ 0.0037664800000000, 0.0066798200000000, 0.0000000000000000 ] - [ -0.0044563600000000, 0.0085068400000000, 0.0000000000000000 ] - [ -0.0029725600000000, 0.0056554600000000, 0.0000000000000000 ] - [ 0.0052762800000000, 0.0080881300000000, 0.0000000000000000 ] - [ 0.0048396700000000, 0.0071991600000000, 0.0000000000000000 ] - [ 0.0044563600000000, 0.0085068400000000, 0.0000000000000000 ] - [ 0.0029725600000000, 0.0056554600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0034155200000000, -0.0001959400000000 ] - [ 0.0000000000000000, 0.0034155200000000, 0.0001959400000000 ] - [ 0.0000000000000000, 0.0029041900000000, -0.0000016800000000 ] - [ 0.0000000000000000, 0.0029041900000000, 0.0000016800000000 ] - [ 0.0000000000000000, 0.0076109800000000, 0.0001876800000000 ] - [ 0.0000000000000000, 0.0076109800000000, -0.0001876800000000 ] - [ 0.0000000000000000, -0.0015001800000000, 0.0006449400000000 ] - [ 0.0000000000000000, -0.0015001800000000, -0.0006449400000000 ] - [ 0.0000000000000000, 0.0028481700000000, 0.0023422800000000 ] - [ 0.0000000000000000, 0.0028481700000000, -0.0023422800000000 ] - [ 0.0000000000000000, -0.0500542800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0162281600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.1911143800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0355924700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0146786200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0105926500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0123104700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0112867700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0117074700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0112179400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0183587300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0079259500000000, 0.0000000000000000 ]- atom: 91 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0003350400000000, -0.0000001300000000 ] - [ 0.0000000000000000, -0.0001559400000000, 0.0000068800000000 ] - [ 0.0000000000000000, 0.0174398900000000, 0.0040841600000000 ] - [ 0.0000000000000000, -0.0176720000000000, 0.0040771200000000 ] - [ 0.0000000000000000, 0.0007572600000000, 0.0088468500000000 ] - [ 0.0000000000000000, -0.0009448300000000, 0.0088257600000000 ] - [ 0.0000000000000000, 0.0000705400000000, -0.0000004200000000 ] - [ 0.0000000000000000, 0.0000967100000000, 0.0000013400000000 ] - [ 0.0000000000000000, -0.0000038700000000, -0.0000002200000000 ] - [ 0.0000000000000000, -0.0000020000000000, 0.0000010700000000 ] - [ 0.0000000000000000, -0.0000868600000000, 0.0000016100000000 ] - [ 0.0000000000000000, -0.0000895400000000, -0.0000005900000000 ] - [ 0.0000000000000000, -0.0082547500000000, 0.0019038000000000 ] - [ 0.0000000000000000, 0.0082276800000000, 0.0018952700000000 ] - [ 0.0000000000000000, 0.0000388800000000, 0.0000004400000000 ] - [ 0.0000000000000000, 0.0001222200000000, -0.0000015200000000 ] - [ 0.0000000000000000, -0.0000823600000000, 0.0000007800000000 ] - [ 0.0000000000000000, -0.0000840300000000, 0.0000007100000000 ] - [ 0.0000000000000000, 0.0001228300000000, -0.0000005300000000 ] - [ 0.0000000000000000, 0.0000354200000000, -0.0000002200000000 ] - [ 0.0000000000000000, -0.0044722600000000, -0.0037093500000000 ] - [ 0.0000000000000000, -0.0043165600000000, 0.0038290300000000 ] - [ 0.0000000000000000, 0.0043497200000000, -0.0002325000000000 ] - [ 0.0000000000000000, 0.0043638700000000, 0.0003902500000000 ] - [ 0.0000000000000000, -0.0043730300000000, -0.0000023600000000 ] - [ 0.0000000000000000, -0.0043729900000000, 0.0000067100000000 ] - [ 0.0000000000000000, 0.0043577300000000, -0.0000161400000000 ] - [ 0.0000000000000000, 0.0043567200000000, 0.0000381800000000 ] - [ -0.0000952000000000, -0.0001614000000000, 0.0011573300000000 ] - [ -0.0000953400000000, -0.0001526500000000, -0.0012576900000000 ] - [ -0.0000521300000000, 0.0003106300000000, 0.0171787500000000 ] - [ 0.0001077000000000, 0.0001559900000000, -0.0150655600000000 ] - [ 0.0000952000000000, -0.0001614000000000, 0.0011573300000000 ] - [ 0.0000953400000000, -0.0001526500000000, -0.0012576900000000 ] - [ 0.0001340900000000, -0.0002441600000000, 0.0156828400000000 ] - [ -0.0000601300000000, -0.0000761100000000, -0.0149312600000000 ] - [ 0.0000016900000000, 0.0000102400000000, 0.0005939500000000 ] - [ -0.0000028500000000, -0.0000035700000000, -0.0007068300000000 ] - [ 0.0000521300000000, 0.0003106300000000, 0.0171787500000000 ] - [ -0.0001077000000000, 0.0001559900000000, -0.0150655600000000 ] - [ -0.0001340900000000, -0.0002441600000000, 0.0156828400000000 ] - [ 0.0000601300000000, -0.0000761100000000, -0.0149312600000000 ] - [ 0.0000620900000000, 0.0000698200000000, 0.0000173100000000 ] - [ 0.0000641000000000, 0.0000647200000000, -0.0000389800000000 ] - [ -0.0000016900000000, 0.0000102400000000, 0.0005939500000000 ] - [ 0.0000028500000000, -0.0000035700000000, -0.0007068300000000 ] - [ -0.0000620900000000, 0.0000698200000000, 0.0000173100000000 ] - [ -0.0000641000000000, 0.0000647200000000, -0.0000389800000000 ] - [ 0.0000000000000000, -0.0007020100000000, -0.0003122500000000 ] - [ 0.0000000000000000, 0.0006781400000000, -0.0002440200000000 ] - [ 0.0000000000000000, -0.0020935300000000, -0.0302853800000000 ] - [ 0.0000000000000000, 0.0017937300000000, -0.0261624600000000 ] - [ 0.0000000000000000, 0.0049668400000000, -0.0005141200000000 ] - [ 0.0000000000000000, 0.0041320400000000, -0.0004288500000000 ] - [ 0.0000000000000000, -0.0044264400000000, -0.0000407100000000 ] - [ 0.0000000000000000, -0.0046481700000000, -0.0000380300000000 ] - [ 0.0000000000000000, 0.0001606000000000, -0.0000086500000000 ] - [ 0.0000000000000000, 0.0001582800000000, -0.0000057600000000 ] - [ -0.0001008600000000, -0.0001544000000000, 0.0000003500000000 ] - [ -0.0001029000000000, -0.0001527500000000, -0.0000038800000000 ] - [ 0.0001009900000000, 0.0001580600000000, 0.0000007200000000 ] - [ 0.0001030600000000, 0.0001556400000000, -0.0000008200000000 ] - [ 0.0001008600000000, -0.0001544000000000, 0.0000003500000000 ] - [ 0.0001029000000000, -0.0001527500000000, -0.0000038800000000 ] - [ -0.0000675100000000, -0.0000588000000000, -0.0000012900000000 ] - [ -0.0000691500000000, -0.0000570100000000, -0.0000006600000000 ] - [ -0.0000023000000000, 0.0000032400000000, 0.0000025100000000 ] - [ -0.0000020900000000, 0.0000039800000000, -0.0000068500000000 ] - [ -0.0001009900000000, 0.0001580600000000, 0.0000007200000000 ] - [ -0.0001030600000000, 0.0001556400000000, -0.0000008200000000 ] - [ 0.0000675100000000, -0.0000588000000000, -0.0000012900000000 ] - [ 0.0000691500000000, -0.0000570100000000, -0.0000006600000000 ] - [ 0.0000635200000000, 0.0000653300000000, 0.0000993600000000 ] - [ 0.0000644700000000, 0.0000651500000000, -0.0001227900000000 ] - [ 0.0000023000000000, 0.0000032400000000, 0.0000025100000000 ] - [ 0.0000020900000000, 0.0000039800000000, -0.0000068500000000 ] - [ -0.0000635200000000, 0.0000653300000000, 0.0000993600000000 ] - [ -0.0000644700000000, 0.0000651500000000, -0.0001227900000000 ] - [ 0.0000000000000000, 0.0000035900000000, -0.0000030900000000 ] - [ 0.0000000000000000, -0.0000007100000000, 0.0000009300000000 ] - [ 0.0000000000000000, -0.0001558400000000, -0.0000011000000000 ] - [ 0.0000000000000000, -0.0001567900000000, 0.0000010900000000 ] - [ 0.0000000000000000, 0.0045400800000000, -0.0000019300000000 ] - [ 0.0000000000000000, 0.0045417800000000, -0.0000003700000000 ] - [ 0.0000000000000000, -0.0045518500000000, -0.0000071100000000 ] - [ 0.0000000000000000, -0.0045236700000000, -0.0000046900000000 ] - [ 0.0000000000000000, -0.0009756100000000, -0.0000482000000000 ] - [ 0.0000000000000000, 0.0013098400000000, -0.0000445100000000 ] - [ 0.0000000000000000, 0.0001039400000000, -0.0030503200000000 ] - [ 0.0000000000000000, -0.0000190000000000, 0.0032445300000000 ] - [ 0.0000000000000000, 0.0007024400000000, -0.1259197500000000 ] - [ 0.0000000000000000, 0.0005788200000000, 0.1485870600000000 ] - [ 0.0000000000000000, -0.0005862600000000, 0.0000020700000000 ] - [ 0.0000000000000000, -0.0005828200000000, 0.0000114700000000 ] - [ 0.0000000000000000, -0.0000031700000000, -0.0000000600000000 ] - [ 0.0000000000000000, -0.0000032400000000, 0.0000039600000000 ] - [ 0.0000000000000000, 0.0005722800000000, 0.0000024800000000 ] - [ 0.0000000000000000, 0.0005736900000000, 0.0000019700000000 ] - [ 0.0000000000000000, -0.0005747000000000, -0.0010374500000000 ] - [ 0.0000000000000000, -0.0005796800000000, 0.0011642500000000 ]