# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/6cd56640-9023-4d78-84bd-a94076b40610/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 TeSeO4 / Cc (9) / materials id 29299](https://mdr.nims.go.jp/datasets/b9f02ba1-c647-471e-aeea-188ea0e6167e) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Cc" number: 9 Hall_symbol: "C -2yc"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 3 ]primitive_cell: lattice: - [ 4.015558210000000, -6.298954550000000, 0.048962730000000 ] # a - [ 4.015558210000000, 6.298954550000000, 0.048962730000000 ] # b - [ -2.358837340000000, 0.000000000000000, 3.609337380000000 ] # c points: - symbol: O # 1 coordinates: [ 0.950573810000000, 0.049205010000000, 0.158357030000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.205436210000000, 0.420917950000000, 0.049518560000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.754236720000000, 0.245788520000000, 0.086127440000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.420917950000000, 0.205436210000000, 0.549518560000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.049205010000000, 0.950573810000000, 0.658357030000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.795545400000000, 0.579244740000000, 0.923020020000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.245788520000000, 0.754236720000000, 0.586127440000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.579244740000000, 0.795545400000000, 0.423020020000000 ] mass: 15.999400 - symbol: Se # 9 coordinates: [ 0.621638160000000, 0.379087560000000, 0.011921750000000 ] mass: 78.960000 - symbol: Se # 10 coordinates: [ 0.379087560000000, 0.621638160000000, 0.511921750000000 ] mass: 78.960000 - symbol: Te # 11 coordinates: [ 0.889017260000000, 0.111275460000000, 0.747724630000000 ] mass: 127.600000 - symbol: Te # 12 coordinates: [ 0.111275460000000, 0.889017260000000, 0.247724630000000 ] mass: 127.600000 reciprocal_lattice: # without 2pi - [ 0.123531299618380, -0.079378251744966, 0.080732337135678 ] # a* - [ 0.123531299618380, 0.079378251744966, 0.080732337135678 ] # b* - [ -0.003351545745366, 0.000000000000000, 0.274868803965650 ] # c*unit_cell: lattice: - [ 8.031116420000000, 0.000000000000000, 0.097925460000000 ] # a - [ 0.000000000000000, 12.597909100000001, 0.000000000000000 ] # b - [ -2.358837340000000, 0.000000000000000, 3.609337380000000 ] # c points: - symbol: O # 1 coordinates: [ 0.999889410000000, 0.049315600000000, 0.158357030000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.313177080000000, 0.107740870000000, 0.049518560000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.000012620000000, 0.245775900000000, 0.086127440000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.813177080000000, 0.392259130000000, 0.549518560000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.499889410000000, 0.450684400000000, 0.658357030000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.187395070000000, 0.391849670000000, 0.923020020000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.500012620000000, 0.254224100000000, 0.586127440000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.687395070000000, 0.108150330000000, 0.423020020000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.499889410000000, 0.549315600000000, 0.158357030000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 10 coordinates: [ 0.813177080000000, 0.607740870000000, 0.049518560000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 11 coordinates: [ 0.500012620000000, 0.745775900000000, 0.086127440000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 12 coordinates: [ 0.313177080000000, 0.892259130000000, 0.549518560000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 13 coordinates: [ 0.999889410000000, 0.950684400000000, 0.658357030000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 14 coordinates: [ 0.687395070000000, 0.891849670000000, 0.923020020000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 15 coordinates: [ 0.000012620000000, 0.754224100000000, 0.586127440000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 16 coordinates: [ 0.187395070000000, 0.608150330000000, 0.423020020000000 ] mass: 15.999400 reduced_to: 8 - symbol: Se # 17 coordinates: [ 0.000362860000000, 0.378724700000000, 0.011921750000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 18 coordinates: [ 0.500362860000000, 0.121275300000000, 0.511921750000000 ] mass: 78.960000 reduced_to: 18 - symbol: Se # 19 coordinates: [ 0.500362860000000, 0.878724700000000, 0.011921750000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 20 coordinates: [ 0.000362860000000, 0.621275300000000, 0.511921750000000 ] mass: 78.960000 reduced_to: 18 - symbol: Te # 21 coordinates: [ 0.000146360000000, 0.111129100000000, 0.747724630000000 ] mass: 127.600000 reduced_to: 21 - symbol: Te # 22 coordinates: [ 0.500146360000000, 0.388870900000000, 0.247724630000000 ] mass: 127.600000 reduced_to: 22 - symbol: Te # 23 coordinates: [ 0.500146360000000, 0.611129100000000, 0.747724630000000 ] mass: 127.600000 reduced_to: 21 - symbol: Te # 24 coordinates: [ 0.000146360000000, 0.888870900000000, 0.247724630000000 ] mass: 127.600000 reduced_to: 22supercell: lattice: - [ 16.062232840000000, 0.000000000000000, 0.195850920000000 ] # a - [ 0.000000000000000, 12.597909100000001, 0.000000000000000 ] # b - [ -7.076512020000000, 0.000000000000000, 10.828012140000000 ] # c points: - symbol: O # 1 coordinates: [ 0.499944705000000, 0.049315600000000, 0.052785676666667 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.999944705000000, 0.049315600000000, 0.052785676666667 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.499944705000000, 0.049315600000000, 0.386119010000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 4 coordinates: [ 0.999944705000000, 0.049315600000000, 0.386119010000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 5 coordinates: [ 0.499944705000000, 0.049315600000000, 0.719452343333333 ] mass: 15.999400 reduced_to: 1 - symbol: O # 6 coordinates: [ 0.999944705000000, 0.049315600000000, 0.719452343333333 ] mass: 15.999400 reduced_to: 1 - symbol: O # 7 coordinates: [ 0.156588540000000, 0.107740870000000, 0.016506186666667 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.656588540000000, 0.107740870000000, 0.016506186666667 ] mass: 15.999400 reduced_to: 7 - symbol: O # 9 coordinates: [ 0.156588540000000, 0.107740870000000, 0.349839520000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 10 coordinates: [ 0.656588540000000, 0.107740870000000, 0.349839520000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 11 coordinates: [ 0.156588540000000, 0.107740870000000, 0.683172853333333 ] mass: 15.999400 reduced_to: 7 - symbol: O # 12 coordinates: [ 0.656588540000000, 0.107740870000000, 0.683172853333333 ] mass: 15.999400 reduced_to: 7 - symbol: O # 13 coordinates: [ 0.000006310000000, 0.245775900000000, 0.028709146666667 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.500006310000000, 0.245775900000000, 0.028709146666667 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.000006310000000, 0.245775900000000, 0.362042480000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 16 coordinates: [ 0.500006310000000, 0.245775900000000, 0.362042480000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 17 coordinates: [ 0.000006310000000, 0.245775900000000, 0.695375813333333 ] mass: 15.999400 reduced_to: 13 - symbol: O # 18 coordinates: [ 0.500006310000000, 0.245775900000000, 0.695375813333333 ] mass: 15.999400 reduced_to: 13 - symbol: O # 19 coordinates: [ 0.406588540000000, 0.392259130000000, 0.183172853333333 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.906588540000000, 0.392259130000000, 0.183172853333333 ] mass: 15.999400 reduced_to: 19 - symbol: O # 21 coordinates: [ 0.406588540000000, 0.392259130000000, 0.516506186666667 ] mass: 15.999400 reduced_to: 19 - symbol: O # 22 coordinates: [ 0.906588540000000, 0.392259130000000, 0.516506186666667 ] mass: 15.999400 reduced_to: 19 - symbol: O # 23 coordinates: [ 0.406588540000000, 0.392259130000000, 0.849839520000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 24 coordinates: [ 0.906588540000000, 0.392259130000000, 0.849839520000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 25 coordinates: [ 0.249944705000000, 0.450684400000000, 0.219452343333333 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.749944705000000, 0.450684400000000, 0.219452343333333 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.249944705000000, 0.450684400000000, 0.552785676666667 ] mass: 15.999400 reduced_to: 25 - symbol: O # 28 coordinates: [ 0.749944705000000, 0.450684400000000, 0.552785676666667 ] mass: 15.999400 reduced_to: 25 - symbol: O # 29 coordinates: [ 0.249944705000000, 0.450684400000000, 0.886119010000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 30 coordinates: [ 0.749944705000000, 0.450684400000000, 0.886119010000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 31 coordinates: [ 0.093697535000000, 0.391849670000000, 0.307673340000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.593697535000000, 0.391849670000000, 0.307673340000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 33 coordinates: [ 0.093697535000000, 0.391849670000000, 0.641006673333333 ] mass: 15.999400 reduced_to: 31 - symbol: O # 34 coordinates: [ 0.593697535000000, 0.391849670000000, 0.641006673333333 ] mass: 15.999400 reduced_to: 31 - symbol: O # 35 coordinates: [ 0.093697535000000, 0.391849670000000, 0.974340006666667 ] mass: 15.999400 reduced_to: 31 - symbol: O # 36 coordinates: [ 0.593697535000000, 0.391849670000000, 0.974340006666667 ] mass: 15.999400 reduced_to: 31 - symbol: O # 37 coordinates: [ 0.250006310000000, 0.254224100000000, 0.195375813333333 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.750006310000000, 0.254224100000000, 0.195375813333333 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.250006310000000, 0.254224100000000, 0.528709146666667 ] mass: 15.999400 reduced_to: 37 - symbol: O # 40 coordinates: [ 0.750006310000000, 0.254224100000000, 0.528709146666667 ] mass: 15.999400 reduced_to: 37 - symbol: O # 41 coordinates: [ 0.250006310000000, 0.254224100000000, 0.862042480000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 42 coordinates: [ 0.750006310000000, 0.254224100000000, 0.862042480000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 43 coordinates: [ 0.343697535000000, 0.108150330000000, 0.141006673333333 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.843697535000000, 0.108150330000000, 0.141006673333333 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.343697535000000, 0.108150330000000, 0.474340006666667 ] mass: 15.999400 reduced_to: 43 - symbol: O # 46 coordinates: [ 0.843697535000000, 0.108150330000000, 0.474340006666667 ] mass: 15.999400 reduced_to: 43 - symbol: O # 47 coordinates: [ 0.343697535000000, 0.108150330000000, 0.807673340000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 48 coordinates: [ 0.843697535000000, 0.108150330000000, 0.807673340000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 49 coordinates: [ 0.249944705000000, 0.549315600000000, 0.052785676666667 ] mass: 15.999400 reduced_to: 1 - symbol: O # 50 coordinates: [ 0.749944705000000, 0.549315600000000, 0.052785676666667 ] mass: 15.999400 reduced_to: 1 - symbol: O # 51 coordinates: [ 0.249944705000000, 0.549315600000000, 0.386119010000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 52 coordinates: [ 0.749944705000000, 0.549315600000000, 0.386119010000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 53 coordinates: [ 0.249944705000000, 0.549315600000000, 0.719452343333333 ] mass: 15.999400 reduced_to: 1 - symbol: O # 54 coordinates: [ 0.749944705000000, 0.549315600000000, 0.719452343333333 ] mass: 15.999400 reduced_to: 1 - symbol: O # 55 coordinates: [ 0.406588540000000, 0.607740870000000, 0.016506186666667 ] mass: 15.999400 reduced_to: 7 - symbol: O # 56 coordinates: [ 0.906588540000000, 0.607740870000000, 0.016506186666667 ] mass: 15.999400 reduced_to: 7 - symbol: O # 57 coordinates: [ 0.406588540000000, 0.607740870000000, 0.349839520000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 58 coordinates: [ 0.906588540000000, 0.607740870000000, 0.349839520000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 59 coordinates: [ 0.406588540000000, 0.607740870000000, 0.683172853333333 ] mass: 15.999400 reduced_to: 7 - symbol: O # 60 coordinates: [ 0.906588540000000, 0.607740870000000, 0.683172853333333 ] mass: 15.999400 reduced_to: 7 - symbol: O # 61 coordinates: [ 0.250006310000000, 0.745775900000000, 0.028709146666667 ] mass: 15.999400 reduced_to: 13 - symbol: O # 62 coordinates: [ 0.750006310000000, 0.745775900000000, 0.028709146666667 ] mass: 15.999400 reduced_to: 13 - symbol: O # 63 coordinates: [ 0.250006310000000, 0.745775900000000, 0.362042480000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 64 coordinates: [ 0.750006310000000, 0.745775900000000, 0.362042480000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 65 coordinates: [ 0.250006310000000, 0.745775900000000, 0.695375813333333 ] mass: 15.999400 reduced_to: 13 - symbol: O # 66 coordinates: [ 0.750006310000000, 0.745775900000000, 0.695375813333333 ] mass: 15.999400 reduced_to: 13 - symbol: O # 67 coordinates: [ 0.156588540000000, 0.892259130000000, 0.183172853333333 ] mass: 15.999400 reduced_to: 19 - symbol: O # 68 coordinates: [ 0.656588540000000, 0.892259130000000, 0.183172853333333 ] mass: 15.999400 reduced_to: 19 - symbol: O # 69 coordinates: [ 0.156588540000000, 0.892259130000000, 0.516506186666667 ] mass: 15.999400 reduced_to: 19 - symbol: O # 70 coordinates: [ 0.656588540000000, 0.892259130000000, 0.516506186666667 ] mass: 15.999400 reduced_to: 19 - symbol: O # 71 coordinates: [ 0.156588540000000, 0.892259130000000, 0.849839520000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 72 coordinates: [ 0.656588540000000, 0.892259130000000, 0.849839520000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 73 coordinates: [ 0.499944705000000, 0.950684400000000, 0.219452343333333 ] mass: 15.999400 reduced_to: 25 - symbol: O # 74 coordinates: [ 0.999944705000000, 0.950684400000000, 0.219452343333333 ] mass: 15.999400 reduced_to: 25 - symbol: O # 75 coordinates: [ 0.499944705000000, 0.950684400000000, 0.552785676666667 ] mass: 15.999400 reduced_to: 25 - symbol: O # 76 coordinates: [ 0.999944705000000, 0.950684400000000, 0.552785676666667 ] mass: 15.999400 reduced_to: 25 - symbol: O # 77 coordinates: [ 0.499944705000000, 0.950684400000000, 0.886119010000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 78 coordinates: [ 0.999944705000000, 0.950684400000000, 0.886119010000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 79 coordinates: [ 0.343697535000000, 0.891849670000000, 0.307673340000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 80 coordinates: [ 0.843697535000000, 0.891849670000000, 0.307673340000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 81 coordinates: [ 0.343697535000000, 0.891849670000000, 0.641006673333333 ] mass: 15.999400 reduced_to: 31 - symbol: O # 82 coordinates: [ 0.843697535000000, 0.891849670000000, 0.641006673333333 ] mass: 15.999400 reduced_to: 31 - symbol: O # 83 coordinates: [ 0.343697535000000, 0.891849670000000, 0.974340006666667 ] mass: 15.999400 reduced_to: 31 - symbol: O # 84 coordinates: [ 0.843697535000000, 0.891849670000000, 0.974340006666667 ] mass: 15.999400 reduced_to: 31 - symbol: O # 85 coordinates: [ 0.000006310000000, 0.754224100000000, 0.195375813333333 ] mass: 15.999400 reduced_to: 37 - symbol: O # 86 coordinates: [ 0.500006310000000, 0.754224100000000, 0.195375813333333 ] mass: 15.999400 reduced_to: 37 - symbol: O # 87 coordinates: [ 0.000006310000000, 0.754224100000000, 0.528709146666667 ] mass: 15.999400 reduced_to: 37 - symbol: O # 88 coordinates: [ 0.500006310000000, 0.754224100000000, 0.528709146666667 ] mass: 15.999400 reduced_to: 37 - symbol: O # 89 coordinates: [ 0.000006310000000, 0.754224100000000, 0.862042480000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 90 coordinates: [ 0.500006310000000, 0.754224100000000, 0.862042480000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 91 coordinates: [ 0.093697535000000, 0.608150330000000, 0.141006673333333 ] mass: 15.999400 reduced_to: 43 - symbol: O # 92 coordinates: [ 0.593697535000000, 0.608150330000000, 0.141006673333333 ] mass: 15.999400 reduced_to: 43 - symbol: O # 93 coordinates: [ 0.093697535000000, 0.608150330000000, 0.474340006666667 ] mass: 15.999400 reduced_to: 43 - symbol: O # 94 coordinates: [ 0.593697535000000, 0.608150330000000, 0.474340006666667 ] mass: 15.999400 reduced_to: 43 - symbol: O # 95 coordinates: [ 0.093697535000000, 0.608150330000000, 0.807673340000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 96 coordinates: [ 0.593697535000000, 0.608150330000000, 0.807673340000000 ] mass: 15.999400 reduced_to: 43 - symbol: Se # 97 coordinates: [ 0.000181430000000, 0.378724700000000, 0.003973916666667 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 98 coordinates: [ 0.500181430000000, 0.378724700000000, 0.003973916666667 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 99 coordinates: [ 0.000181430000000, 0.378724700000000, 0.337307250000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 100 coordinates: [ 0.500181430000000, 0.378724700000000, 0.337307250000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 101 coordinates: [ 0.000181430000000, 0.378724700000000, 0.670640583333333 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 102 coordinates: [ 0.500181430000000, 0.378724700000000, 0.670640583333333 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 103 coordinates: [ 0.250181430000000, 0.121275300000000, 0.170640583333333 ] mass: 78.960000 reduced_to: 103 - symbol: Se # 104 coordinates: [ 0.750181430000000, 0.121275300000000, 0.170640583333333 ] mass: 78.960000 reduced_to: 103 - symbol: Se # 105 coordinates: [ 0.250181430000000, 0.121275300000000, 0.503973916666667 ] mass: 78.960000 reduced_to: 103 - symbol: Se # 106 coordinates: [ 0.750181430000000, 0.121275300000000, 0.503973916666667 ] mass: 78.960000 reduced_to: 103 - symbol: Se # 107 coordinates: [ 0.250181430000000, 0.121275300000000, 0.837307250000000 ] mass: 78.960000 reduced_to: 103 - symbol: Se # 108 coordinates: [ 0.750181430000000, 0.121275300000000, 0.837307250000000 ] mass: 78.960000 reduced_to: 103 - symbol: Se # 109 coordinates: [ 0.250181430000000, 0.878724700000000, 0.003973916666667 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 110 coordinates: [ 0.750181430000000, 0.878724700000000, 0.003973916666667 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 111 coordinates: [ 0.250181430000000, 0.878724700000000, 0.337307250000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 112 coordinates: [ 0.750181430000000, 0.878724700000000, 0.337307250000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 113 coordinates: [ 0.250181430000000, 0.878724700000000, 0.670640583333333 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 114 coordinates: [ 0.750181430000000, 0.878724700000000, 0.670640583333333 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 115 coordinates: [ 0.000181430000000, 0.621275300000000, 0.170640583333333 ] mass: 78.960000 reduced_to: 103 - symbol: Se # 116 coordinates: [ 0.500181430000000, 0.621275300000000, 0.170640583333333 ] mass: 78.960000 reduced_to: 103 - symbol: Se # 117 coordinates: [ 0.000181430000000, 0.621275300000000, 0.503973916666667 ] mass: 78.960000 reduced_to: 103 - symbol: Se # 118 coordinates: [ 0.500181430000000, 0.621275300000000, 0.503973916666667 ] mass: 78.960000 reduced_to: 103 - symbol: Se # 119 coordinates: [ 0.000181430000000, 0.621275300000000, 0.837307250000000 ] mass: 78.960000 reduced_to: 103 - symbol: Se # 120 coordinates: [ 0.500181430000000, 0.621275300000000, 0.837307250000000 ] mass: 78.960000 reduced_to: 103 - symbol: Te # 121 coordinates: [ 0.000073180000000, 0.111129100000000, 0.249241543333333 ] mass: 127.600000 reduced_to: 121 - symbol: Te # 122 coordinates: [ 0.500073180000000, 0.111129100000000, 0.249241543333333 ] mass: 127.600000 reduced_to: 121 - symbol: Te # 123 coordinates: [ 0.000073180000000, 0.111129100000000, 0.582574876666667 ] mass: 127.600000 reduced_to: 121 - symbol: Te # 124 coordinates: [ 0.500073180000000, 0.111129100000000, 0.582574876666667 ] mass: 127.600000 reduced_to: 121 - symbol: Te # 125 coordinates: [ 0.000073180000000, 0.111129100000000, 0.915908210000000 ] mass: 127.600000 reduced_to: 121 - symbol: Te # 126 coordinates: [ 0.500073180000000, 0.111129100000000, 0.915908210000000 ] mass: 127.600000 reduced_to: 121 - symbol: Te # 127 coordinates: [ 0.250073180000000, 0.388870900000000, 0.082574876666667 ] mass: 127.600000 reduced_to: 127 - symbol: Te # 128 coordinates: [ 0.750073180000000, 0.388870900000000, 0.082574876666667 ] mass: 127.600000 reduced_to: 127 - symbol: Te # 129 coordinates: [ 0.250073180000000, 0.388870900000000, 0.415908210000000 ] mass: 127.600000 reduced_to: 127 - symbol: Te # 130 coordinates: [ 0.750073180000000, 0.388870900000000, 0.415908210000000 ] mass: 127.600000 reduced_to: 127 - symbol: Te # 131 coordinates: [ 0.250073180000000, 0.388870900000000, 0.749241543333333 ] mass: 127.600000 reduced_to: 127 - symbol: Te # 132 coordinates: [ 0.750073180000000, 0.388870900000000, 0.749241543333333 ] mass: 127.600000 reduced_to: 127 - symbol: Te # 133 coordinates: [ 0.250073180000000, 0.611129100000000, 0.249241543333333 ] mass: 127.600000 reduced_to: 121 - symbol: Te # 134 coordinates: [ 0.750073180000000, 0.611129100000000, 0.249241543333333 ] mass: 127.600000 reduced_to: 121 - symbol: Te # 135 coordinates: [ 0.250073180000000, 0.611129100000000, 0.582574876666667 ] mass: 127.600000 reduced_to: 121 - symbol: Te # 136 coordinates: [ 0.750073180000000, 0.611129100000000, 0.582574876666667 ] mass: 127.600000 reduced_to: 121 - symbol: Te # 137 coordinates: [ 0.250073180000000, 0.611129100000000, 0.915908210000000 ] mass: 127.600000 reduced_to: 121 - symbol: Te # 138 coordinates: [ 0.750073180000000, 0.611129100000000, 0.915908210000000 ] mass: 127.600000 reduced_to: 121 - symbol: Te # 139 coordinates: [ 0.000073180000000, 0.888870900000000, 0.082574876666667 ] mass: 127.600000 reduced_to: 127 - symbol: Te # 140 coordinates: [ 0.500073180000000, 0.888870900000000, 0.082574876666667 ] mass: 127.600000 reduced_to: 127 - symbol: Te # 141 coordinates: [ 0.000073180000000, 0.888870900000000, 0.415908210000000 ] mass: 127.600000 reduced_to: 127 - symbol: Te # 142 coordinates: [ 0.500073180000000, 0.888870900000000, 0.415908210000000 ] mass: 127.600000 reduced_to: 127 - symbol: Te # 143 coordinates: [ 0.000073180000000, 0.888870900000000, 0.749241543333333 ] mass: 127.600000 reduced_to: 127 - symbol: Te # 144 coordinates: [ 0.500073180000000, 0.888870900000000, 0.749241543333333 ] mass: 127.600000 reduced_to: 127born_effective_charge:- # 1 (O) - [ -1.600670300000000, -0.657715030000000, 1.016080160000000 ] - [ -0.337244400000000, -3.204529660000000, 0.518005340000000 ] - [ 1.017742640000000, 1.015607910000000, -2.492121890000000 ]- # 2 (O) - [ -2.738316680000000, -0.018462690000000, -2.878770600000000 ] - [ -0.413892180000000, -0.949437820000000, -0.948319840000000 ] - [ -1.385746620000000, -0.051405950000000, -3.246345270000000 ]- # 3 (O) - [ -0.890751330000000, 0.013908280000000, 0.221487810000000 ] - [ 0.449513630000000, -3.935489720000000, -0.689663840000000 ] - [ 0.220840490000000, -0.022695760000000, -1.079314270000000 ]- # 4 (O) - [ -2.738316680000000, 0.018462690000000, -2.878770600000000 ] - [ 0.413892180000000, -0.949437820000000, 0.948319840000000 ] - [ -1.385746620000000, 0.051405950000000, -3.246345270000000 ]- # 5 (O) - [ -1.600670300000000, 0.657715030000000, 1.016080160000000 ] - [ 0.337244400000000, -3.204529660000000, -0.518005340000000 ] - [ 1.017742640000000, -1.015607910000000, -2.492121890000000 ]- # 6 (O) - [ -4.727576640000000, -0.049264160000000, -0.506993490000000 ] - [ -1.033720470000000, -0.948237370000000, 0.000483550000000 ] - [ -2.009630600000000, 0.005636040000000, -1.252338010000000 ]- # 7 (O) - [ -0.890751330000000, -0.013908280000000, 0.221487810000000 ] - [ -0.449513630000000, -3.935489720000000, 0.689663840000000 ] - [ 0.220840490000000, 0.022695760000000, -1.079314270000000 ]- # 8 (O) - [ -4.727576640000000, 0.049264160000000, -0.506993490000000 ] - [ 1.033720470000000, -0.948237370000000, -0.000483550000000 ] - [ -2.009630600000000, -0.005636040000000, -1.252338010000000 ]- # 9 (Se) - [ 3.446983750000000, 0.159070520000000, 0.893237140000000 ] - [ 0.806125370000000, 3.451326300000000, -1.235537220000000 ] - [ 0.898509510000000, -0.265365360000000, 2.658845270000000 ]- # 10 (Se) - [ 3.446983750000000, -0.159070520000000, 0.893237140000000 ] - [ -0.806125370000000, 3.451326300000000, 1.235537220000000 ] - [ 0.898509510000000, 0.265365360000000, 2.658845270000000 ]- # 11 (Te) - [ 6.510331190000000, -0.507887250000000, 1.254958970000000 ] - [ -0.355222550000000, 5.586368260000000, 0.543319520000000 ] - [ 1.258284580000000, 0.771536040000000, 5.411274150000000 ]- # 12 (Te) - [ 6.510331190000000, 0.507887250000000, 1.254958970000000 ] - [ 0.355222550000000, 5.586368260000000, -0.543319520000000 ] - [ 1.258284580000000, -0.771536040000000, 5.411274150000000 ]dielectric_constant: - [ 5.546176890000000, 0.000000000000000, 0.972355090000000 ] - [ 0.000000000000000, 4.893225340000000, 0.000000000000000 ] - [ 0.972467890000000, 0.000000000000000, 4.723888170000000 ]displacements:- atom: 1 displacement: [ 0.0099992567053987, 0.0000000000000000, 0.0001219234987175 ] forces: - [ -0.0820588300000000, -0.0250782000000000, 0.0775202200000000 ] - [ 0.0004603700000000, 0.0048656400000000, 0.0018043500000000 ] - [ 0.0024725900000000, 0.0076035700000000, -0.0017834700000000 ] - [ -0.0000162500000000, 0.0043084400000000, 0.0028319100000000 ] - [ 0.0024825200000000, 0.0043456000000000, -0.0017600500000000 ] - [ -0.0000083700000000, 0.0046158900000000, 0.0022305900000000 ] - [ -0.0027523700000000, -0.0009018200000000, 0.0002623000000000 ] - [ 0.0082260200000000, 0.0038525900000000, 0.0004847400000000 ] - [ -0.0029721200000000, -0.0009123100000000, -0.0000950700000000 ] - [ -0.0067868000000000, -0.0005328400000000, -0.0035596800000000 ] - [ -0.0040318900000000, -0.0009667600000000, -0.0006627900000000 ] - [ -0.0033380900000000, -0.0007530800000000, -0.0013720700000000 ] - [ -0.0001117800000000, -0.0008204600000000, 0.0013235500000000 ] - [ -0.0022034900000000, 0.0021529100000000, 0.0011434800000000 ] - [ -0.0002815300000000, -0.0006466700000000, 0.0016501600000000 ] - [ 0.0014003100000000, -0.0062079500000000, -0.0011725100000000 ] - [ -0.0003587400000000, -0.0009273400000000, 0.0014634200000000 ] - [ 0.0002377200000000, -0.0000434900000000, 0.0004214000000000 ] - [ -0.0032146600000000, 0.0006617700000000, 0.0002791000000000 ] - [ -0.0032713700000000, 0.0010153100000000, -0.0004290500000000 ] - [ -0.0036795800000000, 0.0010211700000000, -0.0015570000000000 ] - [ -0.0038995500000000, 0.0008289900000000, -0.0011092000000000 ] - [ -0.0045044700000000, 0.0011876700000000, -0.0022052200000000 ] - [ -0.0033323300000000, 0.0008638900000000, -0.0006522800000000 ] - [ 0.0003185400000000, -0.0049745400000000, 0.0018616900000000 ] - [ -0.0003742500000000, -0.0038452800000000, 0.0027517300000000 ] - [ -0.0000200200000000, -0.0047513400000000, 0.0021268300000000 ] - [ -0.0000171300000000, -0.0047864900000000, 0.0019112600000000 ] - [ -0.0003700800000000, -0.0042693500000000, 0.0025128300000000 ] - [ 0.0003201200000000, -0.0048287000000000, 0.0017308100000000 ] - [ 0.0000524100000000, -0.0001041700000000, 0.0017167300000000 ] - [ -0.0022205800000000, -0.0003062800000000, 0.0017224600000000 ] - [ -0.0008483000000000, -0.0001931300000000, 0.0017134100000000 ] - [ 0.0001611900000000, -0.0000079700000000, 0.0014132500000000 ] - [ 0.0003529900000000, -0.0001896800000000, 0.0017670300000000 ] - [ -0.0002400700000000, 0.0000667600000000, 0.0017227800000000 ] - [ 0.0000576500000000, 0.0000070000000000, 0.0014748200000000 ] - [ 0.0000541500000000, 0.0039200300000000, 0.0019013500000000 ] - [ -0.0003231500000000, 0.0011511400000000, 0.0013525300000000 ] - [ -0.0005123500000000, 0.0002926400000000, 0.0013104400000000 ] - [ -0.0006214200000000, 0.0004258400000000, 0.0018173600000000 ] - [ 0.0000928800000000, 0.0011483200000000, 0.0009939800000000 ] - [ 0.0028981400000000, 0.0001054800000000, 0.0020994100000000 ] - [ 0.0034945900000000, 0.0000375600000000, 0.0027309200000000 ] - [ -0.0003066400000000, 0.0002270600000000, 0.0013914600000000 ] - [ -0.0017339800000000, 0.0001888300000000, 0.0015779600000000 ] - [ -0.0058994500000000, -0.0022992100000000, 0.0067255500000000 ] - [ 0.0008508200000000, 0.0002065400000000, 0.0015134200000000 ] - [ 0.0000914400000000, 0.0048416300000000, 0.0021415400000000 ] - [ 0.0000889900000000, 0.0054541400000000, 0.0020945900000000 ] - [ 0.0002367700000000, 0.0050477000000000, 0.0018459400000000 ] - [ -0.0002794800000000, 0.0045522600000000, 0.0022883000000000 ] - [ -0.0002811700000000, 0.0047019200000000, 0.0023754100000000 ] - [ 0.0002383400000000, 0.0050915400000000, 0.0017387800000000 ] - [ -0.0036681100000000, -0.0004441600000000, -0.0002503300000000 ] - [ -0.0033277900000000, -0.0008504700000000, -0.0006497600000000 ] - [ -0.0033902500000000, -0.0008912100000000, -0.0009206100000000 ] - [ -0.0037820000000000, -0.0008228000000000, -0.0009978200000000 ] - [ -0.0038561100000000, -0.0008487200000000, -0.0014403200000000 ] - [ -0.0035647600000000, -0.0008015900000000, -0.0008121000000000 ] - [ 0.0005347500000000, 0.0009135800000000, 0.0014334700000000 ] - [ -0.0001537200000000, -0.0016137300000000, 0.0012830700000000 ] - [ -0.0001447200000000, -0.0007818500000000, 0.0012853100000000 ] - [ -0.0004631600000000, -0.0011682400000000, 0.0020868800000000 ] - [ -0.0005543100000000, -0.0012316200000000, 0.0015717600000000 ] - [ -0.0002759600000000, -0.0005867300000000, 0.0012250900000000 ] - [ -0.0030044100000000, 0.0008646200000000, -0.0004992400000000 ] - [ -0.0054513600000000, -0.0023658600000000, -0.0002606800000000 ] - [ -0.0039813300000000, 0.0008613000000000, -0.0011846300000000 ] - [ -0.0040110000000000, 0.0008520800000000, -0.0018262900000000 ] - [ -0.0029248500000000, 0.0007022300000000, 0.0004144500000000 ] - [ -0.0028065400000000, 0.0004887500000000, -0.0004013700000000 ] - [ 0.0067515500000000, 0.0032249300000000, -0.0126952000000000 ] - [ 0.0003385600000000, -0.0052084600000000, 0.0020449200000000 ] - [ 0.0018376200000000, -0.0056204800000000, -0.0007316800000000 ] - [ -0.0002549500000000, -0.0046118400000000, 0.0024941800000000 ] - [ 0.0067774700000000, -0.0132694500000000, -0.0128223300000000 ] - [ 0.0003396900000000, -0.0049303600000000, 0.0019365700000000 ] - [ 0.0007308500000000, -0.0001442500000000, 0.0015696600000000 ] - [ -0.0011249000000000, -0.0003907500000000, 0.0017603100000000 ] - [ -0.0022719800000000, -0.0004684100000000, 0.0006608300000000 ] - [ -0.0001733500000000, -0.0001748100000000, 0.0015932900000000 ] - [ 0.0041460000000000, 0.0048504000000000, 0.0018573200000000 ] - [ 0.0007315100000000, -0.0003014700000000, 0.0016509400000000 ] - [ -0.0002249300000000, 0.0007846400000000, 0.0014236600000000 ] - [ 0.0006914300000000, 0.0034935600000000, 0.0002893100000000 ] - [ -0.0004181100000000, 0.0007892200000000, 0.0015714600000000 ] - [ 0.0002445500000000, 0.0017187400000000, 0.0004765400000000 ] - [ -0.0002080100000000, 0.0009147700000000, 0.0013859900000000 ] - [ -0.0005909600000000, -0.0004039000000000, 0.0017441500000000 ] - [ 0.0001762000000000, 0.0001783200000000, 0.0016906100000000 ] - [ -0.0018371400000000, 0.0005105300000000, 0.0018076100000000 ] - [ -0.0005903900000000, 0.0001938600000000, 0.0016836100000000 ] - [ -0.0006400800000000, 0.0001409000000000, 0.0014172900000000 ] - [ -0.0001019600000000, 0.0002527200000000, 0.0017977000000000 ] - [ -0.0001909000000000, 0.0001784400000000, 0.0015387700000000 ] - [ 0.0012795500000000, 0.0012837900000000, -0.0010791900000000 ] - [ 0.0017352700000000, -0.0001614800000000, -0.0003235600000000 ] - [ 0.0014953000000000, 0.0010639100000000, -0.0013712200000000 ] - [ 0.0032419600000000, 0.0037480200000000, -0.0026214800000000 ] - [ 0.0020005100000000, 0.0014743800000000, -0.0011224100000000 ] - [ 0.0015209000000000, 0.0001309400000000, -0.0002640100000000 ] - [ -0.0010013300000000, -0.0008752200000000, -0.0014589300000000 ] - [ -0.0027104400000000, -0.0036066300000000, -0.0101685300000000 ] - [ 0.0020500400000000, -0.0016085400000000, -0.0013083500000000 ] - [ 0.0025952000000000, -0.0008586800000000, 0.0006372400000000 ] - [ 0.0008323000000000, -0.0005843600000000, -0.0035667000000000 ] - [ 0.0004621000000000, -0.0013999500000000, 0.0000147700000000 ] - [ -0.0033155900000000, 0.0015462700000000, -0.0013019000000000 ] - [ 0.0006814700000000, 0.0026665300000000, -0.0014316800000000 ] - [ 0.0009490200000000, 0.0013328900000000, -0.0008600100000000 ] - [ 0.0022230800000000, 0.0005386900000000, -0.0024736800000000 ] - [ 0.0035479800000000, 0.0016522500000000, -0.0014772500000000 ] - [ 0.0017060000000000, 0.0012105800000000, -0.0001447700000000 ] - [ 0.0014183200000000, -0.0013545900000000, -0.0011416600000000 ] - [ 0.0030359100000000, -0.0032355800000000, -0.0019500200000000 ] - [ 0.0019599300000000, -0.0013694800000000, -0.0011568400000000 ] - [ 0.0018790900000000, -0.0015460200000000, -0.0008705700000000 ] - [ 0.0015636600000000, -0.0015014600000000, -0.0011269700000000 ] - [ 0.0018289300000000, -0.0011866800000000, -0.0005027600000000 ] - [ -0.0000923600000000, 0.0003393100000000, -0.0051596700000000 ] - [ 0.0024095700000000, 0.0036539100000000, 0.0038114300000000 ] - [ 0.0029592000000000, -0.0003452800000000, -0.0036813800000000 ] - [ 0.0004913600000000, -0.0000025400000000, 0.0004021100000000 ] - [ 0.0008016700000000, -0.0000905500000000, -0.0037002900000000 ] - [ 0.0558515100000000, 0.0253247300000000, -0.0474950500000000 ] - [ 0.0015037100000000, 0.0008689700000000, -0.0040239300000000 ] - [ 0.0013843400000000, -0.0026519900000000, -0.0032821800000000 ] - [ 0.0021405700000000, -0.0002464300000000, -0.0028543900000000 ] - [ 0.0040181200000000, 0.0006829100000000, -0.0031631200000000 ] - [ 0.0041225800000000, 0.0004175600000000, -0.0032855200000000 ] - [ 0.0016901400000000, -0.0003064200000000, -0.0026933400000000 ] - [ 0.0016164800000000, -0.0001899600000000, -0.0030309700000000 ] - [ 0.0036424900000000, -0.0006941300000000, -0.0033331000000000 ] - [ 0.0029637900000000, 0.0000250600000000, -0.0029860000000000 ] - [ 0.0026531700000000, -0.0004023400000000, -0.0028344300000000 ] - [ 0.0026249900000000, -0.0017283500000000, -0.0044362200000000 ] - [ 0.0017085900000000, 0.0001801300000000, -0.0028652800000000 ] - [ 0.0010055700000000, 0.0002613000000000, -0.0034682000000000 ] - [ 0.0184612600000000, -0.0039934600000000, -0.0006096800000000 ] - [ 0.0029529800000000, 0.0006911500000000, -0.0036779800000000 ] - [ -0.0002562400000000, -0.0023891100000000, 0.0012124400000000 ] - [ 0.0015304000000000, 0.0003590800000000, -0.0038727900000000 ] - [ -0.0001933700000000, 0.0024516400000000, 0.0005141600000000 ]- atom: 1 displacement: [ -0.0099992567053987, 0.0000000000000000, -0.0001219234987175 ] forces: - [ 0.0816303400000000, 0.0335522600000000, -0.0716961800000000 ] - [ -0.0004742600000000, 0.0046532200000000, 0.0024344500000000 ] - [ -0.0025085300000000, 0.0018934400000000, 0.0060486200000000 ] - [ -0.0000006100000000, 0.0052049600000000, 0.0014147700000000 ] - [ -0.0024974200000000, 0.0051810700000000, 0.0060021800000000 ] - [ -0.0000074000000000, 0.0049008400000000, 0.0020106800000000 ] - [ -0.0045435800000000, -0.0007865600000000, -0.0021115000000000 ] - [ -0.0152473400000000, -0.0054361000000000, -0.0023354300000000 ] - [ -0.0043240300000000, -0.0007764000000000, -0.0017468200000000 ] - [ -0.0005007100000000, -0.0011602600000000, 0.0017172500000000 ] - [ -0.0032682100000000, -0.0007195600000000, -0.0011917900000000 ] - [ -0.0039623700000000, -0.0009348400000000, -0.0004806800000000 ] - [ -0.0005660400000000, -0.0009096700000000, 0.0015002600000000 ] - [ 0.0015008100000000, -0.0038536400000000, 0.0016910200000000 ] - [ -0.0003970200000000, -0.0010828000000000, 0.0011763000000000 ] - [ -0.0020862600000000, 0.0044992000000000, 0.0040034700000000 ] - [ -0.0003203500000000, -0.0008026500000000, 0.0013614100000000 ] - [ -0.0009159000000000, -0.0016881900000000, 0.0024019700000000 ] - [ -0.0040850100000000, 0.0010305300000000, -0.0021316200000000 ] - [ -0.0040275600000000, 0.0006746900000000, -0.0014177300000000 ] - [ -0.0036212700000000, 0.0006677200000000, -0.0002940300000000 ] - [ -0.0034023200000000, 0.0008599500000000, -0.0007417000000000 ] - [ -0.0028020200000000, 0.0005028400000000, 0.0003452200000000 ] - [ -0.0039676500000000, 0.0008247800000000, -0.0011976700000000 ] - [ -0.0003329000000000, -0.0045439800000000, 0.0023778900000000 ] - [ 0.0003548300000000, -0.0056598400000000, 0.0014937900000000 ] - [ 0.0000041600000000, -0.0047667000000000, 0.0021147200000000 ] - [ 0.0000018100000000, -0.0047308800000000, 0.0023286700000000 ] - [ 0.0003531700000000, -0.0052424100000000, 0.0017307100000000 ] - [ -0.0003345700000000, -0.0046896600000000, 0.0025082300000000 ] - [ -0.0008986100000000, -0.0002539900000000, 0.0016266400000000 ] - [ 0.0013728100000000, -0.0000483800000000, 0.0016190600000000 ] - [ -0.0000028000000000, -0.0001650000000000, 0.0016295000000000 ] - [ -0.0010086400000000, -0.0003503600000000, 0.0019288300000000 ] - [ -0.0011994300000000, -0.0001686100000000, 0.0015757300000000 ] - [ -0.0006033600000000, -0.0004253400000000, 0.0016195800000000 ] - [ -0.0007364000000000, 0.0017304000000000, 0.0013482100000000 ] - [ -0.0007306300000000, -0.0021609200000000, 0.0009327500000000 ] - [ -0.0003549800000000, 0.0005831200000000, 0.0014712300000000 ] - [ -0.0001659600000000, 0.0014431200000000, 0.0015125200000000 ] - [ -0.0000558800000000, 0.0013104800000000, 0.0010043800000000 ] - [ -0.0007681800000000, 0.0005871200000000, 0.0018270300000000 ] - [ -0.0037527700000000, 0.0002565100000000, 0.0012522000000000 ] - [ -0.0043021200000000, 0.0003180700000000, 0.0006268300000000 ] - [ -0.0005405200000000, 0.0001320900000000, 0.0019516200000000 ] - [ 0.0008868100000000, 0.0001694800000000, 0.0017677800000000 ] - [ 0.0050375600000000, 0.0026481700000000, -0.0034037600000000 ] - [ -0.0016931400000000, 0.0001530200000000, 0.0018285300000000 ] - [ -0.0001019600000000, 0.0046856600000000, 0.0020973400000000 ] - [ -0.0001056100000000, 0.0040744600000000, 0.0021473400000000 ] - [ -0.0002508400000000, 0.0044758300000000, 0.0023937000000000 ] - [ 0.0002639100000000, 0.0049770800000000, 0.0019466300000000 ] - [ 0.0002642400000000, 0.0048222500000000, 0.0018668800000000 ] - [ -0.0002518800000000, 0.0044330300000000, 0.0024983800000000 ] - [ -0.0036161100000000, -0.0012350400000000, -0.0015599600000000 ] - [ -0.0039724500000000, -0.0008372900000000, -0.0011999600000000 ] - [ -0.0039071600000000, -0.0007952100000000, -0.0009318400000000 ] - [ -0.0035251100000000, -0.0008639300000000, -0.0008605900000000 ] - [ -0.0034439000000000, -0.0008374600000000, -0.0004070000000000 ] - [ -0.0037343500000000, -0.0008858200000000, -0.0010368400000000 ] - [ -0.0012169500000000, -0.0026541900000000, 0.0013980900000000 ] - [ -0.0005259500000000, -0.0001236200000000, 0.0015412600000000 ] - [ -0.0005335300000000, -0.0009513900000000, 0.0015388500000000 ] - [ -0.0002197500000000, -0.0005582200000000, 0.0007352500000000 ] - [ -0.0001252700000000, -0.0005026500000000, 0.0012544500000000 ] - [ -0.0004021600000000, -0.0011457300000000, 0.0015985800000000 ] - [ -0.0042941600000000, 0.0008223900000000, -0.0013490400000000 ] - [ -0.0018740600000000, 0.0040264300000000, -0.0016066000000000 ] - [ -0.0033229300000000, 0.0008256800000000, -0.0006687200000000 ] - [ -0.0032878700000000, 0.0008346400000000, -0.0000249500000000 ] - [ -0.0043732800000000, 0.0009862500000000, -0.0022594500000000 ] - [ -0.0044951400000000, 0.0011978300000000, -0.0014467900000000 ] - [ -0.0068253600000000, -0.0128771900000000, 0.0171471300000000 ] - [ -0.0003523600000000, -0.0043171700000000, 0.0021955600000000 ] - [ -0.0018569700000000, -0.0038978800000000, 0.0049782500000000 ] - [ 0.0002388700000000, -0.0049126100000000, 0.0017453900000000 ] - [ -0.0067979000000000, 0.0036512100000000, 0.0169127300000000 ] - [ -0.0003538900000000, -0.0045931800000000, 0.0023026300000000 ] - [ -0.0015773900000000, -0.0002163900000000, 0.0017713900000000 ] - [ 0.0002564400000000, 0.0000276100000000, 0.0015785700000000 ] - [ 0.0014129300000000, 0.0001059100000000, 0.0026727000000000 ] - [ -0.0006736100000000, -0.0001854300000000, 0.0017483100000000 ] - [ -0.0050327700000000, -0.0053275200000000, 0.0014662100000000 ] - [ -0.0015783100000000, -0.0000593300000000, 0.0016909500000000 ] - [ -0.0004538000000000, 0.0009453300000000, 0.0014013000000000 ] - [ -0.0013195600000000, -0.0016241100000000, 0.0024517100000000 ] - [ -0.0002616200000000, 0.0009398200000000, 0.0012531800000000 ] - [ -0.0009233900000000, 0.0000042500000000, 0.0023486500000000 ] - [ -0.0004701300000000, 0.0008143400000000, 0.0014386400000000 ] - [ -0.0000952100000000, 0.0021302500000000, 0.0010923400000000 ] - [ -0.0010225900000000, 0.0001812400000000, 0.0016517500000000 ] - [ 0.0009459700000000, -0.0001420400000000, 0.0015361300000000 ] - [ -0.0002620200000000, 0.0001661400000000, 0.0016583200000000 ] - [ -0.0002057400000000, 0.0002200600000000, 0.0019214300000000 ] - [ -0.0007366200000000, 0.0001073700000000, 0.0015462800000000 ] - [ -0.0006628300000000, 0.0001823800000000, 0.0018035300000000 ] - [ 0.0024665700000000, 0.0014878100000000, -0.0009927000000000 ] - [ 0.0020035800000000, 0.0029337600000000, -0.0017352100000000 ] - [ 0.0022512000000000, 0.0017058000000000, -0.0007031200000000 ] - [ 0.0005011800000000, -0.0009814200000000, 0.0005570000000000 ] - [ 0.0017485300000000, 0.0012974800000000, -0.0009499300000000 ] - [ 0.0022262600000000, 0.0026417500000000, -0.0018059200000000 ] - [ 0.0047506600000000, -0.0018988500000000, -0.0006055500000000 ] - [ 0.0064383300000000, 0.0008325000000000, 0.0079893400000000 ] - [ 0.0016985300000000, -0.0011671600000000, -0.0007668400000000 ] - [ 0.0011552900000000, -0.0019184900000000, -0.0027111600000000 ] - [ 0.0029003700000000, -0.0021984300000000, 0.0015105500000000 ] - [ 0.0032767600000000, -0.0013746200000000, -0.0020788000000000 ] - [ 0.0070638400000000, 0.0012198500000000, -0.0007822800000000 ] - [ 0.0030650100000000, 0.0001214800000000, -0.0006414700000000 ] - [ 0.0027981900000000, 0.0014431700000000, -0.0012128400000000 ] - [ 0.0015429300000000, 0.0022372600000000, 0.0004403500000000 ] - [ 0.0002088200000000, 0.0011262600000000, -0.0005974400000000 ] - [ 0.0020408100000000, 0.0015650600000000, -0.0019262400000000 ] - [ 0.0023290100000000, -0.0014197700000000, -0.0009311400000000 ] - [ 0.0007458700000000, 0.0003816900000000, -0.0001745100000000 ] - [ 0.0017909000000000, -0.0014047200000000, -0.0009126100000000 ] - [ 0.0018655200000000, -0.0012258200000000, -0.0011969300000000 ] - [ 0.0021803800000000, -0.0012714400000000, -0.0009445300000000 ] - [ 0.0019239700000000, -0.0015986900000000, -0.0015739300000000 ] - [ 0.0051688200000000, -0.0007218400000000, -0.0013424700000000 ] - [ 0.0026943700000000, -0.0040212000000000, -0.0103215100000000 ] - [ 0.0021389100000000, -0.0000389800000000, -0.0028059300000000 ] - [ 0.0046090800000000, -0.0003820000000000, -0.0068915700000000 ] - [ 0.0042892200000000, -0.0002957700000000, -0.0027846300000000 ] - [ -0.0503308600000000, -0.0247521700000000, 0.0394130100000000 ] - [ 0.0035875900000000, -0.0004910900000000, -0.0024597400000000 ] - [ 0.0037040900000000, 0.0030107900000000, -0.0032054000000000 ] - [ 0.0029529500000000, 0.0006289800000000, -0.0036303600000000 ] - [ 0.0010799300000000, -0.0003065300000000, -0.0033209000000000 ] - [ 0.0009821800000000, -0.0000388200000000, -0.0031974800000000 ] - [ 0.0034019900000000, 0.0006872100000000, -0.0037881300000000 ] - [ 0.0034715400000000, -0.0001991000000000, -0.0034529400000000 ] - [ 0.0014832300000000, 0.0002848000000000, -0.0031372900000000 ] - [ 0.0021324700000000, -0.0004151300000000, -0.0034991500000000 ] - [ 0.0024408200000000, 0.0000110600000000, -0.0036437700000000 ] - [ 0.0024424600000000, 0.0013304000000000, -0.0020653000000000 ] - [ 0.0033872300000000, -0.0005690200000000, -0.0036164300000000 ] - [ 0.0040851400000000, 0.0001308900000000, -0.0030165400000000 ] - [ -0.0135188000000000, 0.0046369500000000, -0.0057680800000000 ] - [ 0.0021540800000000, -0.0002930100000000, -0.0028023200000000 ] - [ 0.0053550100000000, 0.0027963400000000, -0.0077048600000000 ] - [ 0.0035620900000000, 0.0000357900000000, -0.0026131300000000 ] - [ 0.0052785600000000, -0.0020773900000000, -0.0070123800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0299148200000000, -0.1548511000000000, 0.0479329100000000 ] - [ 0.0000996700000000, 0.0042734200000000, 0.0020207600000000 ] - [ -0.0004305600000000, 0.0009842000000000, 0.0027522500000000 ] - [ -0.0001553100000000, 0.0035785600000000, 0.0026202800000000 ] - [ 0.0028853600000000, 0.0009734200000000, -0.0022614900000000 ] - [ -0.0004580100000000, 0.0035787600000000, 0.0024688200000000 ] - [ -0.0039341200000000, -0.0011369000000000, -0.0010150300000000 ] - [ 0.0041441700000000, -0.0013758400000000, 0.0036857000000000 ] - [ -0.0034705300000000, -0.0009837000000000, -0.0008820700000000 ] - [ -0.0028603700000000, -0.0016596700000000, -0.0001722600000000 ] - [ -0.0058260100000000, -0.0011897500000000, -0.0035979200000000 ] - [ -0.0031927600000000, -0.0009299700000000, -0.0008274000000000 ] - [ -0.0002115800000000, -0.0008299300000000, 0.0013144400000000 ] - [ 0.0034749500000000, 0.0296334300000000, -0.0043863500000000 ] - [ -0.0002658500000000, -0.0008273500000000, 0.0014894900000000 ] - [ -0.0008313800000000, 0.0012802800000000, 0.0021591400000000 ] - [ -0.0005075900000000, -0.0008409600000000, 0.0013811900000000 ] - [ 0.0006086400000000, 0.0002460400000000, -0.0000013000000000 ] - [ -0.0038624900000000, 0.0015642900000000, -0.0011758700000000 ] - [ -0.0030709400000000, 0.0011285800000000, 0.0000423500000000 ] - [ -0.0038867600000000, 0.0012733800000000, -0.0017751100000000 ] - [ -0.0040257000000000, 0.0010584700000000, -0.0013092800000000 ] - [ -0.0056195100000000, 0.0021963900000000, -0.0059430000000000 ] - [ -0.0034861700000000, 0.0009754700000000, -0.0007578100000000 ] - [ 0.0000632200000000, -0.0040956800000000, 0.0020057500000000 ] - [ -0.0005062800000000, -0.0021480700000000, 0.0033274600000000 ] - [ 0.0000230400000000, -0.0039576100000000, 0.0019779600000000 ] - [ -0.0000156800000000, -0.0039578600000000, 0.0021108700000000 ] - [ -0.0009275100000000, -0.0021480700000000, 0.0030521900000000 ] - [ 0.0002104400000000, -0.0040955200000000, 0.0019423800000000 ] - [ -0.0001119800000000, -0.0000128500000000, 0.0017333400000000 ] - [ -0.0002435500000000, 0.0005488700000000, 0.0017494600000000 ] - [ -0.0017779400000000, 0.0001162100000000, 0.0015417400000000 ] - [ 0.0006832800000000, 0.0002353300000000, 0.0015846500000000 ] - [ -0.0002337200000000, -0.0000104700000000, 0.0017027000000000 ] - [ 0.0048577700000000, 0.0011615600000000, 0.0014418800000000 ] - [ -0.0002113700000000, 0.0012041000000000, 0.0012227500000000 ] - [ 0.0002816500000000, 0.0028032400000000, 0.0018785200000000 ] - [ -0.0002126500000000, 0.0012952600000000, 0.0009638400000000 ] - [ -0.0002611000000000, 0.0012838200000000, 0.0012503300000000 ] - [ -0.0010368000000000, 0.0028015300000000, 0.0010245000000000 ] - [ 0.0000777400000000, 0.0011946800000000, 0.0011059400000000 ] - [ -0.0016631400000000, -0.0006210800000000, 0.0011779900000000 ] - [ 0.0027634400000000, -0.0001326500000000, 0.0025440300000000 ] - [ -0.0003427400000000, 0.0000981500000000, 0.0013714400000000 ] - [ -0.0009891700000000, -0.0001550500000000, 0.0018460200000000 ] - [ -0.0079002800000000, -0.0003179000000000, -0.0036904300000000 ] - [ 0.0003467900000000, 0.0000673900000000, 0.0016184000000000 ] - [ 0.0006822700000000, 0.0063226300000000, 0.0018001400000000 ] - [ 0.0000710300000000, 0.0063277200000000, 0.0022728600000000 ] - [ 0.0003254600000000, 0.0056466200000000, 0.0017558900000000 ] - [ -0.0000600200000000, 0.0063535900000000, 0.0014165400000000 ] - [ -0.0002192800000000, 0.0063582900000000, 0.0021014700000000 ] - [ 0.0002829700000000, 0.0056462300000000, 0.0016465900000000 ] - [ -0.0016289600000000, 0.0010449900000000, 0.0047955000000000 ] - [ -0.0034946100000000, -0.0007235300000000, -0.0008675800000000 ] - [ -0.0030444800000000, -0.0004721100000000, -0.0010507700000000 ] - [ -0.0045255700000000, -0.0005621300000000, -0.0021273400000000 ] - [ -0.0033586900000000, -0.0002711500000000, -0.0003947500000000 ] - [ -0.0034161300000000, -0.0006552200000000, -0.0007520100000000 ] - [ 0.0006467000000000, 0.0014561600000000, 0.0018602600000000 ] - [ -0.0006295200000000, -0.0009471500000000, 0.0016038600000000 ] - [ -0.0002217700000000, -0.0007248700000000, 0.0013757900000000 ] - [ -0.0011724100000000, 0.0014165500000000, 0.0007234800000000 ] - [ -0.0004392100000000, -0.0008488000000000, 0.0017599000000000 ] - [ -0.0003148800000000, -0.0005904000000000, 0.0013010700000000 ] - [ -0.0031666800000000, 0.0007018700000000, -0.0007838400000000 ] - [ -0.0102152400000000, -0.0003255700000000, -0.0108014800000000 ] - [ -0.0040384100000000, 0.0006055300000000, -0.0014694500000000 ] - [ -0.0036526700000000, 0.0005708100000000, -0.0015956200000000 ] - [ -0.0015116500000000, 0.0002743400000000, 0.0020695900000000 ] - [ -0.0039219200000000, 0.0005455500000000, -0.0009046700000000 ] - [ 0.0085104300000000, -0.0024379600000000, -0.0109269100000000 ] - [ 0.0001613400000000, -0.0056169000000000, 0.0020427000000000 ] - [ 0.0008620100000000, -0.0075873400000000, 0.0008445800000000 ] - [ -0.0001530600000000, -0.0058301100000000, 0.0017794000000000 ] - [ -0.0081862300000000, -0.0024192400000000, 0.0146220000000000 ] - [ 0.0004391300000000, -0.0056158700000000, 0.0018255400000000 ] - [ 0.0006005900000000, -0.0004340900000000, 0.0014953200000000 ] - [ -0.0042434400000000, -0.0007495100000000, 0.0008884800000000 ] - [ -0.0006316200000000, -0.0004980700000000, 0.0018614200000000 ] - [ 0.0002026500000000, -0.0003710900000000, 0.0014633400000000 ] - [ 0.0111827600000000, -0.0013100500000000, 0.0036772700000000 ] - [ -0.0004885100000000, -0.0003635200000000, 0.0016446200000000 ] - [ -0.0003531900000000, 0.0008332400000000, 0.0014671200000000 ] - [ 0.0071473900000000, 0.0220492700000000, -0.0100117200000000 ] - [ -0.0005213000000000, 0.0007962500000000, 0.0014151700000000 ] - [ -0.0001456700000000, 0.0011348600000000, 0.0011427000000000 ] - [ -0.0002009300000000, 0.0007449400000000, 0.0014417900000000 ] - [ -0.0015743900000000, 0.0019675500000000, 0.0032812400000000 ] - [ -0.0000178800000000, 0.0002914400000000, 0.0016444500000000 ] - [ -0.0065855600000000, 0.0020631400000000, 0.0021019000000000 ] - [ -0.0010883400000000, 0.0003804500000000, 0.0015155700000000 ] - [ -0.0002910500000000, 0.0005583200000000, 0.0011182300000000 ] - [ 0.0009170900000000, 0.0004581500000000, 0.0019036300000000 ] - [ -0.0011862300000000, 0.0007428900000000, 0.0015797200000000 ] - [ 0.0016175700000000, 0.0011259900000000, -0.0010186400000000 ] - [ -0.0013055400000000, -0.0046497500000000, 0.0038921300000000 ] - [ 0.0017142600000000, 0.0009702100000000, -0.0014197800000000 ] - [ 0.0013248100000000, -0.0000374700000000, -0.0001518700000000 ] - [ 0.0025020300000000, 0.0010184300000000, -0.0009762900000000 ] - [ 0.0010479100000000, -0.0008771000000000, 0.0001112000000000 ] - [ 0.0021453600000000, -0.0012756900000000, -0.0009605500000000 ] - [ -0.0017647900000000, -0.0016615400000000, -0.0070704200000000 ] - [ 0.0018753300000000, -0.0012246400000000, -0.0002254800000000 ] - [ 0.0019824100000000, -0.0013275300000000, -0.0013470100000000 ] - [ 0.0089653300000000, -0.0016512900000000, -0.0000486500000000 ] - [ 0.0007686000000000, -0.0011668500000000, -0.0006802400000000 ] - [ -0.0053598100000000, 0.0013884300000000, -0.0013582800000000 ] - [ 0.0022783700000000, 0.0024162300000000, -0.0013463300000000 ] - [ 0.0011984600000000, 0.0015537200000000, -0.0009116300000000 ] - [ 0.0052053600000000, 0.0014193200000000, 0.0054003600000000 ] - [ 0.0021233600000000, 0.0023453600000000, -0.0013334300000000 ] - [ 0.0016460500000000, 0.0014208300000000, -0.0003918300000000 ] - [ 0.0016735400000000, -0.0016111200000000, -0.0010790600000000 ] - [ 0.0069333100000000, -0.0136717900000000, -0.0087153500000000 ] - [ 0.0023858600000000, -0.0017399400000000, -0.0005825300000000 ] - [ 0.0015527400000000, -0.0018705200000000, -0.0006777500000000 ] - [ 0.0012671100000000, -0.0015826100000000, -0.0009970000000000 ] - [ 0.0023648300000000, -0.0043323600000000, -0.0017124500000000 ] - [ 0.0010788500000000, 0.0010342800000000, -0.0045546700000000 ] - [ 0.0026730200000000, 0.0107629200000000, -0.0032349600000000 ] - [ 0.0047783900000000, 0.0012560600000000, -0.0024796300000000 ] - [ 0.0008424400000000, 0.0006914300000000, -0.0009881400000000 ] - [ 0.0022204900000000, 0.0007305500000000, -0.0033219400000000 ] - [ 0.0213657000000000, 0.0445334900000000, -0.0318888700000000 ] - [ 0.0027486000000000, -0.0015619500000000, -0.0032420800000000 ] - [ -0.0009391700000000, -0.0033812800000000, -0.0058407900000000 ] - [ 0.0025462900000000, -0.0011289000000000, -0.0025695400000000 ] - [ 0.0027665700000000, -0.0016856400000000, -0.0033985400000000 ] - [ 0.0065145800000000, -0.0033912700000000, -0.0010503800000000 ] - [ 0.0015242000000000, -0.0010063200000000, -0.0031557200000000 ] - [ 0.0012173600000000, -0.0010983800000000, -0.0029594200000000 ] - [ 0.0069767800000000, -0.0045334200000000, -0.0017278900000000 ] - [ 0.0024847400000000, -0.0014297100000000, -0.0030256200000000 ] - [ 0.0024552500000000, -0.0013260000000000, -0.0022614900000000 ] - [ -0.0004880600000000, -0.0045495200000000, -0.0065424300000000 ] - [ 0.0025591500000000, -0.0012159200000000, -0.0027963700000000 ] - [ 0.0019031600000000, 0.0009023300000000, -0.0030928800000000 ] - [ -0.0033287000000000, 0.0657076400000000, 0.0057147800000000 ] - [ 0.0045630400000000, 0.0018386600000000, -0.0019309800000000 ] - [ -0.0006284100000000, 0.0024418400000000, 0.0012320900000000 ] - [ 0.0007993600000000, 0.0017526000000000, -0.0041287400000000 ] - [ 0.0038158500000000, 0.0044646400000000, -0.0049540500000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0298520000000000, 0.1685942700000000, -0.0436432900000000 ] - [ -0.0001151700000000, 0.0052526800000000, 0.0022199600000000 ] - [ 0.0004204800000000, 0.0085923000000000, 0.0014803000000000 ] - [ 0.0001419100000000, 0.0059540400000000, 0.0016144100000000 ] - [ -0.0029324900000000, 0.0085811900000000, 0.0065507000000000 ] - [ 0.0004471100000000, 0.0059542400000000, 0.0017677000000000 ] - [ -0.0033613500000000, -0.0005480500000000, -0.0008274500000000 ] - [ -0.0115274500000000, -0.0003547300000000, -0.0055924300000000 ] - [ -0.0038325300000000, -0.0007029400000000, -0.0009652200000000 ] - [ -0.0044645700000000, -0.0000146300000000, -0.0017041200000000 ] - [ -0.0014582600000000, -0.0004957500000000, 0.0017730600000000 ] - [ -0.0041171700000000, -0.0007572500000000, -0.0010254100000000 ] - [ -0.0004667800000000, -0.0009041400000000, 0.0015092300000000 ] - [ -0.0040940500000000, -0.0307268700000000, 0.0071200400000000 ] - [ -0.0004115400000000, -0.0009103200000000, 0.0013323800000000 ] - [ 0.0001734000000000, -0.0030865100000000, 0.0006339800000000 ] - [ -0.0001691600000000, -0.0008962600000000, 0.0014413600000000 ] - [ -0.0012944300000000, -0.0020023000000000, 0.0028365800000000 ] - [ -0.0034375300000000, 0.0001146100000000, -0.0006524500000000 ] - [ -0.0042269100000000, 0.0005555100000000, -0.0018843800000000 ] - [ -0.0034111800000000, 0.0004075300000000, -0.0000657500000000 ] - [ -0.0032785200000000, 0.0006260100000000, -0.0005401900000000 ] - [ -0.0016969800000000, -0.0005091500000000, 0.0040477000000000 ] - [ -0.0038175500000000, 0.0007096200000000, -0.0010914000000000 ] - [ -0.0000786700000000, -0.0054318700000000, 0.0022358000000000 ] - [ 0.0004963400000000, -0.0073905100000000, 0.0009127900000000 ] - [ -0.0000360800000000, -0.0055705800000000, 0.0022598500000000 ] - [ -0.0000006200000000, -0.0055708700000000, 0.0021297000000000 ] - [ 0.0009100600000000, -0.0073905000000000, 0.0011836700000000 ] - [ -0.0002245100000000, -0.0054316700000000, 0.0022955500000000 ] - [ -0.0007349100000000, -0.0003491900000000, 0.0016124900000000 ] - [ -0.0006259800000000, -0.0009171400000000, 0.0016009400000000 ] - [ 0.0009215400000000, -0.0004792200000000, 0.0018017100000000 ] - [ -0.0015414300000000, -0.0006015600000000, 0.0017590700000000 ] - [ -0.0006163000000000, -0.0003518100000000, 0.0016426600000000 ] - [ -0.0056581100000000, -0.0015215600000000, 0.0018969900000000 ] - [ -0.0004661200000000, 0.0005180800000000, 0.0016040600000000 ] - [ -0.0009640400000000, -0.0011086800000000, 0.0009466200000000 ] - [ -0.0004657000000000, 0.0004273500000000, 0.0018630000000000 ] - [ -0.0004200600000000, 0.0004373500000000, 0.0015740600000000 ] - [ 0.0003590800000000, -0.0011069200000000, 0.0018039700000000 ] - [ -0.0007589600000000, 0.0005289600000000, 0.0017193000000000 ] - [ 0.0008495900000000, 0.0009939000000000, 0.0021767100000000 ] - [ -0.0036417800000000, 0.0004939300000000, 0.0007937000000000 ] - [ -0.0005015900000000, 0.0002617900000000, 0.0019776100000000 ] - [ 0.0001376700000000, 0.0005176300000000, 0.0014948900000000 ] - [ 0.0071364900000000, 0.0006340500000000, 0.0070858300000000 ] - [ -0.0012036800000000, 0.0002933400000000, 0.0017268300000000 ] - [ -0.0007054200000000, 0.0031824200000000, 0.0024460300000000 ] - [ -0.0000813300000000, 0.0031874900000000, 0.0019643400000000 ] - [ -0.0003421000000000, 0.0038667400000000, 0.0024862700000000 ] - [ 0.0000429800000000, 0.0031516000000000, 0.0028329000000000 ] - [ 0.0002050800000000, 0.0031562700000000, 0.0021336800000000 ] - [ -0.0003005800000000, 0.0038663500000000, 0.0025966600000000 ] - [ -0.0057065100000000, -0.0027406300000000, -0.0066870100000000 ] - [ -0.0038076700000000, -0.0009640200000000, -0.0009800800000000 ] - [ -0.0042618900000000, -0.0012183700000000, -0.0007961300000000 ] - [ -0.0027686400000000, -0.0011268500000000, 0.0002908500000000 ] - [ -0.0039442900000000, -0.0014178200000000, -0.0014578000000000 ] - [ -0.0038898100000000, -0.0010334500000000, -0.0010989300000000 ] - [ -0.0013340600000000, -0.0032111900000000, 0.0009642600000000 ] - [ -0.0000461000000000, -0.0007783100000000, 0.0012173600000000 ] - [ -0.0004567200000000, -0.0010064800000000, 0.0014478000000000 ] - [ 0.0004975000000000, -0.0031707900000000, 0.0021083000000000 ] - [ -0.0002372600000000, -0.0008780300000000, 0.0010606600000000 ] - [ -0.0003635400000000, -0.0011428700000000, 0.0015228900000000 ] - [ -0.0041399500000000, 0.0009868300000000, -0.0010654000000000 ] - [ 0.0029768300000000, 0.0019972700000000, 0.0090670400000000 ] - [ -0.0032571500000000, 0.0010843900000000, -0.0003687800000000 ] - [ -0.0036502000000000, 0.0011199800000000, -0.0002497900000000 ] - [ -0.0058215700000000, 0.0014209700000000, -0.0039531300000000 ] - [ -0.0033847600000000, 0.0011458200000000, -0.0009482400000000 ] - [ -0.0087357600000000, -0.0071600400000000, 0.0154887000000000 ] - [ -0.0001778000000000, -0.0038968000000000, 0.0021972000000000 ] - [ -0.0008922900000000, -0.0018922800000000, 0.0034179200000000 ] - [ 0.0001392700000000, -0.0036801000000000, 0.0024649600000000 ] - [ 0.0082218800000000, -0.0071407800000000, -0.0104597400000000 ] - [ -0.0004595300000000, -0.0038957500000000, 0.0024183700000000 ] - [ -0.0014577700000000, 0.0000775900000000, 0.0018496000000000 ] - [ 0.0034407600000000, 0.0003976200000000, 0.0024704100000000 ] - [ -0.0002076300000000, 0.0001426200000000, 0.0014865100000000 ] - [ -0.0010627200000000, 0.0000133600000000, 0.0018829000000000 ] - [ -0.0121631900000000, 0.0009338600000000, -0.0003452200000000 ] - [ -0.0003627100000000, 0.0000056700000000, 0.0016999100000000 ] - [ -0.0003237200000000, 0.0009005800000000, 0.0013546000000000 ] - [ -0.0079411200000000, -0.0205767600000000, 0.0130118100000000 ] - [ -0.0001545500000000, 0.0009379600000000, 0.0014075700000000 ] - [ -0.0005344300000000, 0.0005887400000000, 0.0016839200000000 ] - [ -0.0004782600000000, 0.0009886900000000, 0.0013811300000000 ] - [ 0.0009058400000000, -0.0002153000000000, -0.0004721500000000 ] - [ -0.0008337800000000, 0.0000678900000000, 0.0017009200000000 ] - [ 0.0057894000000000, -0.0017114700000000, 0.0012557400000000 ] - [ 0.0002443800000000, -0.0000213800000000, 0.0018302200000000 ] - [ -0.0005609700000000, -0.0002016400000000, 0.0022301700000000 ] - [ -0.0017812300000000, -0.0000999400000000, 0.0014392900000000 ] - [ 0.0003430700000000, -0.0003844900000000, 0.0017643400000000 ] - [ 0.0021326700000000, 0.0016508000000000, -0.0010551600000000 ] - [ 0.0050277100000000, 0.0075899700000000, -0.0059246200000000 ] - [ 0.0020339700000000, 0.0018111100000000, -0.0006565300000000 ] - [ 0.0024453500000000, 0.0028551400000000, -0.0019535500000000 ] - [ 0.0012495300000000, 0.0017625400000000, -0.0010987900000000 ] - [ 0.0027022900000000, 0.0036828400000000, -0.0021864900000000 ] - [ 0.0015832400000000, -0.0014943600000000, -0.0011148300000000 ] - [ 0.0055595300000000, -0.0010798100000000, 0.0050716800000000 ] - [ 0.0018699600000000, -0.0015449200000000, -0.0018559800000000 ] - [ 0.0017742300000000, -0.0014416400000000, -0.0007070800000000 ] - [ -0.0053034200000000, -0.0010900900000000, -0.0020375200000000 ] - [ 0.0029917700000000, -0.0016035400000000, -0.0013940500000000 ] - [ 0.0091739500000000, 0.0013751600000000, -0.0007262100000000 ] - [ 0.0014708000000000, 0.0003424600000000, -0.0007177000000000 ] - [ 0.0025551300000000, 0.0012156100000000, -0.0011630100000000 ] - [ -0.0014735800000000, 0.0013441500000000, -0.0075364900000000 ] - [ 0.0016153700000000, 0.0004143300000000, -0.0007396000000000 ] - [ 0.0021071700000000, 0.0013504600000000, -0.0016865800000000 ] - [ 0.0020756500000000, -0.0011621600000000, -0.0009948100000000 ] - [ -0.0032137800000000, 0.0109644600000000, 0.0066864900000000 ] - [ 0.0013597000000000, -0.0010320500000000, -0.0014953800000000 ] - [ 0.0021977000000000, -0.0008989300000000, -0.0013965300000000 ] - [ 0.0024886100000000, -0.0011895000000000, -0.0010769700000000 ] - [ 0.0013780900000000, 0.0015591500000000, -0.0003529000000000 ] - [ 0.0040291400000000, -0.0014301800000000, -0.0019161600000000 ] - [ 0.0023353900000000, -0.0112558100000000, -0.0031183800000000 ] - [ 0.0002987700000000, -0.0016560900000000, -0.0040100400000000 ] - [ 0.0042699300000000, -0.0010820100000000, -0.0055205000000000 ] - [ 0.0028757200000000, -0.0011280300000000, -0.0031644100000000 ] - [ -0.0154710600000000, -0.0447455300000000, 0.0241826900000000 ] - [ 0.0023460300000000, 0.0019732000000000, -0.0032531200000000 ] - [ 0.0060134400000000, 0.0038015400000000, -0.0006637000000000 ] - [ 0.0025434600000000, 0.0015318000000000, -0.0039219900000000 ] - [ 0.0023392600000000, 0.0020976900000000, -0.0030884000000000 ] - [ -0.0013936800000000, 0.0038121600000000, -0.0054238100000000 ] - [ 0.0035801400000000, 0.0014090700000000, -0.0033273900000000 ] - [ 0.0038875100000000, 0.0007172000000000, -0.0035308800000000 ] - [ -0.0019200000000000, 0.0041750900000000, -0.0047811000000000 ] - [ 0.0026081700000000, 0.0010453100000000, -0.0034571700000000 ] - [ 0.0026454700000000, 0.0009472100000000, -0.0042313700000000 ] - [ 0.0056210800000000, 0.0041915900000000, 0.0000821300000000 ] - [ 0.0025324000000000, 0.0008295500000000, -0.0036887000000000 ] - [ 0.0031987600000000, -0.0005229300000000, -0.0033928300000000 ] - [ 0.0079832500000000, -0.0699863200000000, -0.0115163600000000 ] - [ 0.0005094700000000, -0.0014693800000000, -0.0045708100000000 ] - [ 0.0057697700000000, -0.0020814600000000, -0.0077822800000000 ] - [ 0.0043187200000000, -0.0013821800000000, -0.0023476500000000 ] - [ 0.0013037200000000, -0.0041451700000000, -0.0015711100000000 ]- atom: 1 displacement: [ -0.0054706835898182, 0.0000000000000000, 0.0083708793480789 ] forces: - [ 0.1074227700000000, 0.0577801800000000, -0.1619764800000000 ] - [ -0.0005301900000000, 0.0046166300000000, 0.0024870400000000 ] - [ -0.0047311900000000, -0.0005547700000000, 0.0093819800000000 ] - [ 0.0000884400000000, 0.0052946200000000, 0.0016473100000000 ] - [ -0.0047200700000000, 0.0055281300000000, 0.0093022900000000 ] - [ 0.0005895100000000, 0.0052561000000000, 0.0019732800000000 ] - [ -0.0050921400000000, -0.0008089800000000, -0.0030785300000000 ] - [ -0.0121110700000000, -0.0028674200000000, -0.0084810100000000 ] - [ -0.0041285900000000, -0.0007955700000000, -0.0009364300000000 ] - [ 0.0010887100000000, -0.0010695300000000, 0.0043653800000000 ] - [ -0.0007312000000000, -0.0006068400000000, 0.0020958800000000 ] - [ -0.0044390300000000, -0.0009903900000000, -0.0006795300000000 ] - [ -0.0005782600000000, -0.0009237300000000, 0.0015135900000000 ] - [ 0.0004456900000000, -0.0063793700000000, 0.0002268000000000 ] - [ -0.0003537200000000, -0.0010526400000000, 0.0012814000000000 ] - [ -0.0035263500000000, 0.0091554500000000, 0.0062880500000000 ] - [ -0.0000643500000000, -0.0009909600000000, 0.0014087000000000 ] - [ -0.0015200400000000, -0.0023768700000000, 0.0031850400000000 ] - [ -0.0046648500000000, 0.0011372800000000, -0.0035704600000000 ] - [ -0.0040144000000000, 0.0006663000000000, -0.0014541600000000 ] - [ -0.0037204600000000, 0.0005252000000000, 0.0001044100000000 ] - [ -0.0028741200000000, 0.0008304900000000, 0.0000264000000000 ] - [ -0.0026872400000000, 0.0002992800000000, 0.0004950400000000 ] - [ -0.0040130600000000, 0.0008283400000000, -0.0012498100000000 ] - [ -0.0005151400000000, -0.0044911400000000, 0.0024607400000000 ] - [ 0.0005260100000000, -0.0060295500000000, 0.0011315900000000 ] - [ -0.0001824500000000, -0.0047534200000000, 0.0024609000000000 ] - [ -0.0000003900000000, -0.0046228500000000, 0.0025769400000000 ] - [ 0.0007245300000000, -0.0060298300000000, 0.0012609400000000 ] - [ -0.0004060700000000, -0.0046232200000000, 0.0025346100000000 ] - [ -0.0007892400000000, -0.0002758700000000, 0.0016913100000000 ] - [ 0.0025549600000000, 0.0001047300000000, 0.0015506600000000 ] - [ 0.0008225600000000, -0.0003055000000000, 0.0018059200000000 ] - [ -0.0017043200000000, -0.0004909600000000, 0.0020829800000000 ] - [ -0.0014198300000000, -0.0001650900000000, 0.0015094200000000 ] - [ -0.0018852300000000, -0.0007266400000000, 0.0014104700000000 ] - [ -0.0008755100000000, 0.0021762100000000, 0.0012607800000000 ] - [ -0.0004673100000000, -0.0016205500000000, 0.0006367500000000 ] - [ -0.0005493000000000, 0.0003186900000000, 0.0019450400000000 ] - [ 0.0000791600000000, 0.0020632400000000, 0.0017797500000000 ] - [ 0.0004899200000000, -0.0014908600000000, 0.0012173900000000 ] - [ -0.0008340000000000, 0.0005571700000000, 0.0018206500000000 ] - [ -0.0068852600000000, -0.0000434000000000, -0.0004171700000000 ] - [ -0.0035590400000000, 0.0004230900000000, 0.0004266500000000 ] - [ -0.0010317200000000, 0.0000504600000000, 0.0022934200000000 ] - [ 0.0030670000000000, 0.0002583600000000, 0.0021454000000000 ] - [ 0.0103122600000000, -0.0018836100000000, 0.0064845500000000 ] - [ -0.0019498900000000, 0.0001779300000000, 0.0018815800000000 ] - [ -0.0000741200000000, 0.0048590800000000, 0.0018706300000000 ] - [ -0.0000410500000000, 0.0041151100000000, 0.0019047700000000 ] - [ -0.0004646000000000, 0.0042076100000000, 0.0026709400000000 ] - [ 0.0003564000000000, 0.0048739800000000, 0.0019987200000000 ] - [ 0.0002825400000000, 0.0042006100000000, 0.0019626400000000 ] - [ -0.0003749900000000, 0.0042768000000000, 0.0027281200000000 ] - [ -0.0039608000000000, -0.0015078200000000, -0.0026399500000000 ] - [ -0.0040481800000000, -0.0008303300000000, -0.0012940600000000 ] - [ -0.0042527400000000, -0.0007603300000000, -0.0011317500000000 ] - [ -0.0031781000000000, -0.0009169300000000, -0.0004348900000000 ] - [ -0.0034760100000000, -0.0008355900000000, -0.0001879500000000 ] - [ -0.0035716500000000, -0.0009122900000000, -0.0007637700000000 ] - [ -0.0006200100000000, -0.0022555700000000, 0.0010805100000000 ] - [ -0.0004941000000000, 0.0001457100000000, 0.0013308000000000 ] - [ -0.0006746500000000, -0.0011287300000000, 0.0016303500000000 ] - [ 0.0001351000000000, -0.0021422600000000, 0.0015187400000000 ] - [ -0.0001594800000000, 0.0001202800000000, 0.0014611500000000 ] - [ -0.0004267100000000, -0.0012684600000000, 0.0017601100000000 ] - [ -0.0045204100000000, 0.0008041000000000, -0.0015364200000000 ] - [ -0.0000285100000000, -0.0008704600000000, 0.0023692200000000 ] - [ -0.0027938700000000, 0.0009450800000000, 0.0004444700000000 ] - [ -0.0030643100000000, 0.0008168300000000, 0.0007539300000000 ] - [ -0.0043384600000000, 0.0011728700000000, -0.0024753700000000 ] - [ -0.0059875300000000, 0.0014269000000000, -0.0025723400000000 ] - [ -0.0166550500000000, -0.0199597500000000, 0.0276473900000000 ] - [ -0.0003513700000000, -0.0042700300000000, 0.0022196400000000 ] - [ -0.0034708300000000, -0.0032045600000000, 0.0073686400000000 ] - [ 0.0004392500000000, -0.0045589000000000, 0.0020843100000000 ] - [ -0.0163368700000000, 0.0107937800000000, 0.0270632000000000 ] - [ -0.0002576000000000, -0.0046081400000000, 0.0022753500000000 ] - [ -0.0026245700000000, -0.0002275600000000, 0.0017419600000000 ] - [ 0.0020304100000000, 0.0001597700000000, 0.0017933000000000 ] - [ 0.0020943000000000, 0.0004196200000000, 0.0031351600000000 ] - [ -0.0003501000000000, -0.0001971400000000, 0.0019954200000000 ] - [ -0.0045761500000000, -0.0019250400000000, -0.0002332000000000 ] - [ -0.0019513400000000, -0.0001112800000000, 0.0015495700000000 ] - [ -0.0004560400000000, 0.0009445400000000, 0.0014039800000000 ] - [ -0.0017710200000000, -0.0037804800000000, 0.0036238300000000 ] - [ -0.0001385200000000, 0.0009484600000000, 0.0013418700000000 ] - [ -0.0014636300000000, -0.0007417900000000, 0.0031092700000000 ] - [ -0.0003937500000000, 0.0009008100000000, 0.0014445500000000 ] - [ 0.0000596200000000, 0.0032097200000000, 0.0007969100000000 ] - [ -0.0011610600000000, 0.0001750200000000, 0.0016561000000000 ] - [ 0.0015048500000000, -0.0004798700000000, 0.0013080200000000 ] - [ 0.0002216200000000, 0.0001443800000000, 0.0017845500000000 ] - [ -0.0002039100000000, 0.0002617000000000, 0.0020882700000000 ] - [ -0.0006563100000000, 0.0000910000000000, 0.0015460500000000 ] - [ -0.0011840300000000, 0.0001877800000000, 0.0018168800000000 ] - [ 0.0025211500000000, 0.0014777200000000, -0.0010285100000000 ] - [ 0.0024867900000000, 0.0042611300000000, -0.0021117700000000 ] - [ 0.0020555600000000, 0.0017394300000000, -0.0008217300000000 ] - [ -0.0003041100000000, -0.0030285200000000, 0.0022341600000000 ] - [ 0.0011217000000000, 0.0015631300000000, -0.0013728100000000 ] - [ 0.0028128400000000, 0.0036978300000000, -0.0022829500000000 ] - [ 0.0062679600000000, -0.0023161800000000, -0.0006519200000000 ] - [ 0.0034509500000000, 0.0000089700000000, 0.0072647400000000 ] - [ 0.0021475300000000, -0.0011498700000000, -0.0021892900000000 ] - [ -0.0006237100000000, -0.0022373300000000, -0.0047334500000000 ] - [ -0.0066709300000000, -0.0001182100000000, 0.0006081100000000 ] - [ 0.0035281200000000, -0.0013497800000000, -0.0017920600000000 ] - [ 0.0055056600000000, 0.0020523100000000, -0.0001193300000000 ] - [ 0.0033324200000000, -0.0000242900000000, 0.0008103100000000 ] - [ 0.0035428600000000, 0.0015337700000000, -0.0014483400000000 ] - [ -0.0008052900000000, 0.0019315800000000, -0.0039586600000000 ] - [ -0.0005052100000000, 0.0000066200000000, -0.0015516200000000 ] - [ 0.0019425400000000, 0.0016859100000000, -0.0026114800000000 ] - [ 0.0023546200000000, -0.0014020900000000, -0.0009383000000000 ] - [ 0.0004456500000000, 0.0019134400000000, 0.0010167300000000 ] - [ 0.0013467700000000, -0.0013178500000000, -0.0012097100000000 ] - [ 0.0020504800000000, -0.0010843100000000, -0.0011782700000000 ] - [ 0.0020289300000000, -0.0013276500000000, -0.0011223100000000 ] - [ 0.0023678000000000, -0.0017771100000000, -0.0017935300000000 ] - [ 0.0043632900000000, -0.0008418500000000, -0.0020173100000000 ] - [ 0.0084548800000000, -0.0073077300000000, -0.0125709500000000 ] - [ -0.0013365400000000, -0.0004317000000000, -0.0048874100000000 ] - [ 0.0071041800000000, -0.0004919700000000, -0.0095520400000000 ] - [ 0.0044366400000000, -0.0001731700000000, -0.0025596200000000 ] - [ -0.0622565900000000, -0.0447982500000000, 0.0953450600000000 ] - [ 0.0041686200000000, -0.0008699000000000, -0.0013937600000000 ] - [ 0.0040964400000000, 0.0027088200000000, -0.0021165700000000 ] - [ 0.0032574500000000, 0.0010829800000000, -0.0043255400000000 ] - [ -0.0001365000000000, -0.0007767500000000, -0.0039602600000000 ] - [ 0.0004268200000000, 0.0025417900000000, -0.0042747700000000 ] - [ 0.0038408500000000, 0.0008213400000000, -0.0039483500000000 ] - [ 0.0040204000000000, -0.0001021400000000, -0.0033966500000000 ] - [ 0.0004202600000000, 0.0015891800000000, -0.0027885300000000 ] - [ 0.0020657200000000, -0.0006785300000000, -0.0042734200000000 ] - [ 0.0023226700000000, 0.0000928400000000, -0.0042465000000000 ] - [ 0.0026458400000000, 0.0016769300000000, -0.0013617600000000 ] - [ 0.0038241600000000, -0.0007875900000000, -0.0034112700000000 ] - [ 0.0043727600000000, 0.0001913200000000, -0.0028735700000000 ] - [ -0.0044453000000000, 0.0079447000000000, 0.0070752500000000 ] - [ 0.0005317600000000, -0.0004999300000000, -0.0041202500000000 ] - [ 0.0080580700000000, 0.0050318000000000, -0.0113111100000000 ] - [ 0.0028412200000000, -0.0004211600000000, -0.0028762500000000 ] - [ 0.0072936400000000, -0.0040262600000000, -0.0104894500000000 ]- atom: 1 displacement: [ 0.0054706835898182, 0.0000000000000000, -0.0083708793480789 ] forces: - [ -0.1111826500000000, -0.0516154800000000, 0.1719319700000000 ] - [ 0.0005177400000000, 0.0049010400000000, 0.0017506800000000 ] - [ 0.0046668100000000, 0.0100050300000000, -0.0050669600000000 ] - [ -0.0001079700000000, 0.0042126800000000, 0.0025999900000000 ] - [ 0.0047350900000000, 0.0039982600000000, -0.0051072400000000 ] - [ -0.0006090200000000, 0.0042516400000000, 0.0022709900000000 ] - [ -0.0022067900000000, -0.0008822100000000, 0.0012271900000000 ] - [ 0.0049309200000000, 0.0011909800000000, 0.0067607600000000 ] - [ -0.0031721100000000, -0.0008935800000000, -0.0009150500000000 ] - [ -0.0083682700000000, -0.0006296400000000, -0.0062282700000000 ] - [ -0.0066108000000000, -0.0010870600000000, -0.0039745400000000 ] - [ -0.0028501600000000, -0.0006970800000000, -0.0011627400000000 ] - [ -0.0000983300000000, -0.0008077400000000, 0.0013092500000000 ] - [ -0.0011477100000000, 0.0048346200000000, 0.0026332700000000 ] - [ -0.0003258100000000, -0.0006782000000000, 0.0015445600000000 ] - [ 0.0028257900000000, -0.0107949500000000, -0.0034303000000000 ] - [ -0.0006156200000000, -0.0007403000000000, 0.0014156600000000 ] - [ 0.0008494400000000, 0.0006652800000000, -0.0003723300000000 ] - [ -0.0026406600000000, 0.0005604100000000, 0.0017043300000000 ] - [ -0.0032831700000000, 0.0010241700000000, -0.0003884400000000 ] - [ -0.0035854300000000, 0.0011674900000000, -0.0019671900000000 ] - [ -0.0044296200000000, 0.0008595700000000, -0.0018793200000000 ] - [ -0.0046327500000000, 0.0013923900000000, -0.0023773400000000 ] - [ -0.0032842100000000, 0.0008610900000000, -0.0005967800000000 ] - [ 0.0005020200000000, -0.0050246800000000, 0.0017752200000000 ] - [ -0.0005487800000000, -0.0034603600000000, 0.0031215000000000 ] - [ 0.0001649000000000, -0.0047609300000000, 0.0017800800000000 ] - [ -0.0000126300000000, -0.0048911200000000, 0.0016611200000000 ] - [ -0.0007485100000000, -0.0034602200000000, 0.0029905100000000 ] - [ 0.0003925200000000, -0.0048933800000000, 0.0017062000000000 ] - [ -0.0000606800000000, -0.0000815600000000, 0.0016516600000000 ] - [ -0.0033873100000000, -0.0004541200000000, 0.0017901500000000 ] - [ -0.0016836200000000, -0.0000508100000000, 0.0015363400000000 ] - [ 0.0008719300000000, 0.0001362500000000, 0.0012594600000000 ] - [ 0.0005742300000000, -0.0001922100000000, 0.0018331900000000 ] - [ 0.0010718900000000, 0.0003708800000000, 0.0019359900000000 ] - [ 0.0001999000000000, -0.0004420200000000, 0.0015591300000000 ] - [ -0.0002113700000000, 0.0033689800000000, 0.0022038600000000 ] - [ -0.0001292000000000, 0.0014206800000000, 0.0008740500000000 ] - [ -0.0007553500000000, -0.0003275900000000, 0.0010407500000000 ] - [ -0.0011839800000000, 0.0032390100000000, 0.0016133200000000 ] - [ 0.0001609800000000, 0.0011809100000000, 0.0010011600000000 ] - [ 0.0060383000000000, 0.0003914900000000, 0.0037340800000000 ] - [ 0.0027478000000000, -0.0000692800000000, 0.0029414300000000 ] - [ 0.0001759800000000, 0.0003096400000000, 0.0010427300000000 ] - [ -0.0039230500000000, 0.0000971700000000, 0.0011950800000000 ] - [ -0.0113311300000000, 0.0022545700000000, -0.0032016100000000 ] - [ 0.0011155700000000, 0.0001805700000000, 0.0014617500000000 ] - [ 0.0000703600000000, 0.0046840700000000, 0.0023626600000000 ] - [ 0.0000223700000000, 0.0054148700000000, 0.0023436600000000 ] - [ 0.0004528900000000, 0.0053221200000000, 0.0015641500000000 ] - [ -0.0003706300000000, 0.0046687200000000, 0.0022286000000000 ] - [ -0.0003047700000000, 0.0053298700000000, 0.0022838200000000 ] - [ 0.0003652400000000, 0.0052533500000000, 0.0015054000000000 ] - [ -0.0033089500000000, -0.0001554300000000, 0.0008715600000000 ] - [ -0.0032494200000000, -0.0008571400000000, -0.0005523300000000 ] - [ -0.0030436500000000, -0.0009242600000000, -0.0007299300000000 ] - [ -0.0041379700000000, -0.0007674300000000, -0.0014352300000000 ] - [ -0.0038277500000000, -0.0008494400000000, -0.0016656500000000 ] - [ -0.0037230600000000, -0.0007734000000000, -0.0010803500000000 ] - [ -0.0000411600000000, 0.0005620600000000, 0.0017497700000000 ] - [ -0.0001870500000000, -0.0018903800000000, 0.0014990000000000 ] - [ -0.0000031400000000, -0.0006063100000000, 0.0011909800000000 ] - [ -0.0008266100000000, 0.0004481900000000, 0.0012925300000000 ] - [ -0.0005240300000000, -0.0018627100000000, 0.0013676900000000 ] - [ -0.0002485400000000, -0.0004638500000000, 0.0010622100000000 ] - [ -0.0027750500000000, 0.0008825700000000, -0.0003157400000000 ] - [ -0.0073606600000000, 0.0025414700000000, -0.0043798700000000 ] - [ -0.0045239100000000, 0.0007410100000000, -0.0023156600000000 ] - [ -0.0042241800000000, 0.0008677700000000, -0.0026020400000000 ] - [ -0.0029287100000000, 0.0005095700000000, 0.0006731700000000 ] - [ -0.0012782100000000, 0.0002544400000000, 0.0007506900000000 ] - [ 0.0162840500000000, 0.0100171200000000, -0.0228633800000000 ] - [ 0.0003368300000000, -0.0052577700000000, 0.0020221800000000 ] - [ 0.0034584600000000, -0.0063179500000000, -0.0031318300000000 ] - [ -0.0004586500000000, -0.0049727200000000, 0.0021520500000000 ] - [ 0.0166911000000000, -0.0207538300000000, -0.0233891700000000 ] - [ 0.0002503700000000, -0.0049229100000000, 0.0019599700000000 ] - [ 0.0017774700000000, -0.0001347800000000, 0.0015920400000000 ] - [ -0.0029417900000000, -0.0005244500000000, 0.0015373100000000 ] - [ -0.0029899100000000, -0.0007858900000000, 0.0001857700000000 ] - [ -0.0004790000000000, -0.0001641800000000, 0.0013447100000000 ] - [ 0.0039079500000000, 0.0015492300000000, 0.0035912800000000 ] - [ 0.0011142000000000, -0.0002488800000000, 0.0017966300000000 ] - [ -0.0002228600000000, 0.0007860100000000, 0.0014215500000000 ] - [ 0.0012133400000000, 0.0058168500000000, -0.0009839500000000 ] - [ -0.0005435900000000, 0.0007815500000000, 0.0014820700000000 ] - [ 0.0007863600000000, 0.0024471400000000, -0.0002864600000000 ] - [ -0.0002815100000000, 0.0008291100000000, 0.0013797100000000 ] - [ -0.0007571600000000, -0.0015215600000000, 0.0020557800000000 ] - [ 0.0003167800000000, 0.0001852300000000, 0.0016856500000000 ] - [ -0.0024425800000000, 0.0008638800000000, 0.0020387400000000 ] - [ -0.0010858600000000, 0.0002167000000000, 0.0015557900000000 ] - [ -0.0006306800000000, 0.0001011200000000, 0.0012464900000000 ] - [ -0.0001693900000000, 0.0002719800000000, 0.0018003600000000 ] - [ 0.0003362500000000, 0.0001742000000000, 0.0015261000000000 ] - [ 0.0012228300000000, 0.0012940800000000, -0.0010446400000000 ] - [ 0.0012266400000000, -0.0015220700000000, 0.0000937800000000 ] - [ 0.0016945800000000, 0.0010300400000000, -0.0012539400000000 ] - [ 0.0040300300000000, 0.0057732600000000, -0.0042729100000000 ] - [ 0.0026316900000000, 0.0012072200000000, -0.0006995200000000 ] - [ 0.0009251200000000, -0.0009462100000000, 0.0002247400000000 ] - [ -0.0025270900000000, -0.0004564400000000, -0.0014104300000000 ] - [ 0.0003120800000000, -0.0027651800000000, -0.0094439200000000 ] - [ 0.0016103200000000, -0.0016267100000000, 0.0001270000000000 ] - [ 0.0043677100000000, -0.0005360600000000, 0.0026692400000000 ] - [ 0.0105126600000000, -0.0026370100000000, -0.0027342600000000 ] - [ 0.0002013700000000, -0.0014257900000000, -0.0002840900000000 ] - [ -0.0018721100000000, 0.0007174600000000, -0.0019536800000000 ] - [ 0.0004071200000000, 0.0028189400000000, -0.0029188100000000 ] - [ 0.0002058500000000, 0.0012440900000000, -0.0006165000000000 ] - [ 0.0046029300000000, 0.0008390100000000, 0.0019896000000000 ] - [ 0.0042935600000000, 0.0027864300000000, -0.0005229600000000 ] - [ 0.0017904100000000, 0.0010894000000000, 0.0005416500000000 ] - [ 0.0013920100000000, -0.0013732800000000, -0.0011363200000000 ] - [ 0.0033716100000000, -0.0048659300000000, -0.0031938800000000 ] - [ 0.0024119500000000, -0.0014600100000000, -0.0008556700000000 ] - [ 0.0016854700000000, -0.0016783600000000, -0.0008778500000000 ] - [ 0.0017077100000000, -0.0014484500000000, -0.0009508000000000 ] - [ 0.0013820200000000, -0.0010132200000000, -0.0002794000000000 ] - [ 0.0007244400000000, 0.0004651200000000, -0.0044819100000000 ] - [ -0.0034516000000000, 0.0070508100000000, 0.0062295500000000 ] - [ 0.0064586400000000, 0.0000588500000000, -0.0015907400000000 ] - [ -0.0020137500000000, 0.0000994000000000, 0.0030696700000000 ] - [ 0.0006461900000000, -0.0002041900000000, -0.0039271300000000 ] - [ 0.0713133400000000, 0.0483737700000000, -0.1078735300000000 ] - [ 0.0009270800000000, 0.0012360500000000, -0.0050845800000000 ] - [ 0.0009786700000000, -0.0023501700000000, -0.0043989200000000 ] - [ 0.0018430400000000, -0.0007105800000000, -0.0021480200000000 ] - [ 0.0052275900000000, 0.0011419800000000, -0.0025238300000000 ] - [ 0.0047082800000000, -0.0021831800000000, -0.0022022300000000 ] - [ 0.0012372800000000, -0.0004477500000000, -0.0025374100000000 ] - [ 0.0010601100000000, -0.0002901500000000, -0.0030758700000000 ] - [ 0.0047425700000000, -0.0020354500000000, -0.0036720800000000 ] - [ 0.0030443400000000, 0.0002882000000000, -0.0022042700000000 ] - [ 0.0027594900000000, -0.0004891700000000, -0.0022257700000000 ] - [ 0.0024017800000000, -0.0021236600000000, -0.0051720700000000 ] - [ 0.0012631200000000, 0.0004013300000000, -0.0030780700000000 ] - [ 0.0007095400000000, 0.0002008500000000, -0.0036136000000000 ] - [ 0.0092748100000000, -0.0077687000000000, -0.0131512600000000 ] - [ 0.0046080300000000, 0.0009066700000000, -0.0023402400000000 ] - [ -0.0029605900000000, -0.0045880300000000, 0.0048149400000000 ] - [ 0.0022196700000000, 0.0008271000000000, -0.0036258700000000 ] - [ -0.0022172700000000, 0.0043905200000000, 0.0040390900000000 ]- atom: 7 displacement: [ 0.0099992567053987, 0.0000000000000000, 0.0001219234987175 ] forces: - [ 0.0009114700000000, 0.0044740700000000, 0.0009733000000000 ] - [ 0.0116256900000000, 0.0125652100000000, -0.0004412800000000 ] - [ -0.0004280700000000, 0.0025451700000000, 0.0054035000000000 ] - [ 0.0003070400000000, 0.0052216100000000, 0.0013857000000000 ] - [ 0.0006778000000000, 0.0049431000000000, 0.0019957400000000 ] - [ -0.0032205200000000, 0.0055759200000000, 0.0057372700000000 ] - [ -0.0906275500000000, -0.0074794000000000, -0.0588755400000000 ] - [ -0.0024613100000000, -0.0008611900000000, -0.0001343300000000 ] - [ -0.0047563400000000, -0.0008589200000000, -0.0015749000000000 ] - [ 0.0005396000000000, -0.0011016500000000, 0.0064375900000000 ] - [ -0.0047449000000000, -0.0007402000000000, -0.0033359900000000 ] - [ 0.0005486400000000, -0.0006667300000000, 0.0042727000000000 ] - [ 0.0009129600000000, -0.0070954000000000, -0.0000575300000000 ] - [ 0.0001123900000000, -0.0003163900000000, 0.0010652800000000 ] - [ -0.0000840900000000, -0.0019591600000000, 0.0008482800000000 ] - [ -0.0005970100000000, 0.0009247800000000, 0.0025230400000000 ] - [ -0.0011722200000000, -0.0019941200000000, 0.0021110700000000 ] - [ -0.0000744800000000, -0.0009155700000000, 0.0014887200000000 ] - [ -0.0035206000000000, 0.0013755100000000, -0.0008371700000000 ] - [ -0.0034287000000000, 0.0007734300000000, -0.0009202900000000 ] - [ -0.0033337500000000, 0.0008280100000000, -0.0001993500000000 ] - [ -0.0033314800000000, 0.0007613200000000, -0.0002395600000000 ] - [ -0.0034285500000000, 0.0009904900000000, -0.0010522000000000 ] - [ -0.0035267800000000, -0.0000330300000000, 0.0001525100000000 ] - [ -0.0008761400000000, -0.0027588500000000, 0.0027273800000000 ] - [ 0.0003151100000000, -0.0049277500000000, 0.0018924400000000 ] - [ -0.0000412300000000, -0.0045158500000000, 0.0020289800000000 ] - [ -0.0002672600000000, -0.0043834600000000, 0.0028902700000000 ] - [ 0.0004482800000000, -0.0045475000000000, 0.0011841600000000 ] - [ 0.0003777600000000, -0.0053486100000000, 0.0019282400000000 ] - [ -0.0013501200000000, -0.0002170400000000, 0.0013451000000000 ] - [ 0.0010499400000000, 0.0001649500000000, 0.0019107400000000 ] - [ -0.0015559800000000, -0.0002959000000000, 0.0014719400000000 ] - [ 0.0006873500000000, -0.0003112900000000, 0.0020733900000000 ] - [ -0.0047425200000000, -0.0003920800000000, 0.0011369800000000 ] - [ 0.0007457600000000, -0.0000885100000000, 0.0016954400000000 ] - [ -0.0032237200000000, 0.0126662600000000, 0.0053981100000000 ] - [ -0.0000120400000000, 0.0007531300000000, 0.0013061200000000 ] - [ -0.0004097500000000, 0.0003945500000000, 0.0013487000000000 ] - [ -0.0002643500000000, 0.0020079000000000, 0.0020108100000000 ] - [ 0.0004733500000000, 0.0020324200000000, 0.0000410300000000 ] - [ 0.0000893900000000, -0.0026918900000000, 0.0018860200000000 ] - [ 0.0294301000000000, -0.0022315300000000, 0.0272972300000000 ] - [ 0.0010431600000000, 0.0001195600000000, 0.0014257500000000 ] - [ 0.0006607500000000, 0.0001853900000000, 0.0023447100000000 ] - [ 0.0014812000000000, 0.0000060200000000, 0.0026635500000000 ] - [ 0.0020973900000000, 0.0005393900000000, 0.0009991400000000 ] - [ 0.0217374300000000, 0.0004862400000000, 0.0051548900000000 ] - [ -0.0000226900000000, 0.0068441800000000, 0.0017031900000000 ] - [ 0.0003203500000000, 0.0049169700000000, 0.0018532600000000 ] - [ -0.0002188400000000, 0.0050566200000000, 0.0021998200000000 ] - [ 0.0000763900000000, 0.0049988200000000, 0.0022675000000000 ] - [ 0.0002570600000000, 0.0053660700000000, 0.0015701300000000 ] - [ -0.0001424000000000, 0.0038700300000000, 0.0026103600000000 ] - [ -0.0034751700000000, -0.0008423700000000, -0.0009883200000000 ] - [ -0.0034773300000000, -0.0008294800000000, -0.0007118300000000 ] - [ -0.0036676600000000, -0.0007446400000000, -0.0007304100000000 ] - [ -0.0034476100000000, -0.0008210900000000, -0.0007486200000000 ] - [ -0.0034478800000000, -0.0008185200000000, -0.0007698900000000 ] - [ -0.0036684200000000, -0.0007838800000000, -0.0005663500000000 ] - [ -0.0000144200000000, -0.0026142500000000, 0.0004054000000000 ] - [ 0.0000114800000000, -0.0002868600000000, 0.0013435700000000 ] - [ -0.0007468500000000, -0.0001358200000000, 0.0014424100000000 ] - [ -0.0001986500000000, -0.0011057300000000, 0.0014674100000000 ] - [ -0.0003003800000000, -0.0006297400000000, 0.0012405300000000 ] - [ -0.0003925400000000, -0.0004246900000000, 0.0018491800000000 ] - [ -0.0054190500000000, 0.0009571200000000, -0.0034741700000000 ] - [ -0.0027277300000000, 0.0007158900000000, -0.0001005300000000 ] - [ -0.0039593000000000, 0.0008313800000000, -0.0015190700000000 ] - [ -0.0030499000000000, 0.0007545100000000, 0.0005752200000000 ] - [ -0.0054278800000000, 0.0004085000000000, -0.0034479000000000 ] - [ -0.0027296600000000, 0.0010396300000000, -0.0000824600000000 ] - [ 0.0007372500000000, -0.0069492700000000, 0.0017424300000000 ] - [ 0.0008640700000000, -0.0044961700000000, -0.0001221500000000 ] - [ -0.0003508200000000, -0.0043638400000000, 0.0029466500000000 ] - [ -0.0003845700000000, -0.0047495300000000, 0.0025890100000000 ] - [ 0.0006484800000000, -0.0052477000000000, 0.0014996500000000 ] - [ -0.0018278900000000, 0.0019119600000000, 0.0053198400000000 ] - [ -0.0015454400000000, -0.0005746000000000, 0.0019116900000000 ] - [ 0.0004039400000000, -0.0001582400000000, 0.0017491200000000 ] - [ -0.0000170200000000, -0.0002202900000000, 0.0015922000000000 ] - [ -0.0000099500000000, 0.0001552800000000, 0.0025452200000000 ] - [ 0.0002296900000000, -0.0005932800000000, 0.0009535600000000 ] - [ 0.0015643500000000, 0.0005694500000000, 0.0016933700000000 ] - [ 0.0001604700000000, 0.0028582400000000, 0.0004035300000000 ] - [ -0.0002479100000000, 0.0003060700000000, 0.0015248400000000 ] - [ -0.0003350300000000, 0.0014182200000000, 0.0013284100000000 ] - [ -0.0004750400000000, 0.0004348000000000, 0.0017991200000000 ] - [ -0.0006287500000000, 0.0024519900000000, 0.0014719900000000 ] - [ -0.0001238500000000, 0.0007748400000000, 0.0013022700000000 ] - [ -0.0018645300000000, 0.0002229100000000, 0.0013960500000000 ] - [ 0.0004008200000000, 0.0001567200000000, 0.0017167900000000 ] - [ -0.0008263700000000, 0.0002268200000000, 0.0014933200000000 ] - [ 0.0001317800000000, 0.0002347500000000, 0.0019548100000000 ] - [ -0.0019587100000000, 0.0002726800000000, 0.0014422800000000 ] - [ 0.0003385200000000, 0.0001843400000000, 0.0017761600000000 ] - [ 0.0052404700000000, 0.0062780300000000, -0.0021069800000000 ] - [ 0.0008884300000000, 0.0005695200000000, -0.0007819000000000 ] - [ 0.0024015800000000, 0.0018834100000000, -0.0010606700000000 ] - [ 0.0006965100000000, -0.0005266300000000, -0.0013123600000000 ] - [ 0.0027859800000000, 0.0025462000000000, -0.0015649700000000 ] - [ 0.0010642900000000, 0.0016132800000000, -0.0015061600000000 ] - [ 0.0227956600000000, -0.0020487900000000, 0.0081868900000000 ] - [ 0.0003962100000000, -0.0012157500000000, -0.0011171500000000 ] - [ 0.0019119100000000, -0.0010174400000000, -0.0002164600000000 ] - [ 0.0010758900000000, -0.0026247100000000, -0.0052721300000000 ] - [ 0.0003628500000000, -0.0020360800000000, 0.0032611300000000 ] - [ -0.0068088500000000, 0.0018987500000000, -0.0005656900000000 ] - [ 0.0020356100000000, 0.0041389800000000, 0.0021064500000000 ] - [ -0.0001264100000000, 0.0009009800000000, -0.0009918000000000 ] - [ 0.0033879300000000, 0.0013716900000000, 0.0003226600000000 ] - [ 0.0010324300000000, 0.0017386000000000, -0.0016907200000000 ] - [ 0.0017689300000000, 0.0013845700000000, -0.0002336900000000 ] - [ 0.0010426600000000, 0.0005715100000000, -0.0026945500000000 ] - [ 0.0027666200000000, -0.0023551900000000, -0.0013028800000000 ] - [ 0.0012003800000000, -0.0011636700000000, -0.0010262400000000 ] - [ 0.0021673700000000, -0.0017307500000000, -0.0011420400000000 ] - [ 0.0014873000000000, -0.0012661900000000, -0.0013422100000000 ] - [ 0.0031156000000000, -0.0020793600000000, -0.0014744800000000 ] - [ 0.0012516300000000, -0.0013574100000000, -0.0010294400000000 ] - [ 0.0011745100000000, 0.0017336400000000, 0.0010746600000000 ] - [ -0.0100108900000000, 0.0025483100000000, -0.0145140900000000 ] - [ 0.0042835500000000, 0.0012370600000000, -0.0046096200000000 ] - [ -0.0008494800000000, -0.0011774200000000, -0.0065506200000000 ] - [ 0.0231671400000000, -0.0069895000000000, 0.0080915100000000 ] - [ -0.0004671700000000, 0.0000096800000000, -0.0033840300000000 ] - [ 0.0040998400000000, -0.0076218200000000, 0.0002225200000000 ] - [ 0.0010996800000000, 0.0002378200000000, -0.0030920200000000 ] - [ 0.0037757000000000, 0.0000041300000000, -0.0039571100000000 ] - [ 0.0012249900000000, -0.0007521600000000, -0.0043891800000000 ] - [ 0.0024159900000000, -0.0010893100000000, -0.0015022100000000 ] - [ 0.0015780200000000, 0.0031820500000000, -0.0056128200000000 ] - [ 0.0042192400000000, -0.0017267400000000, -0.0035266600000000 ] - [ 0.0015509700000000, 0.0000104000000000, -0.0033784000000000 ] - [ 0.0025845700000000, -0.0006301100000000, -0.0027488700000000 ] - [ 0.0024003600000000, -0.0005670300000000, -0.0046221300000000 ] - [ 0.0026749500000000, 0.0001696000000000, -0.0013569400000000 ] - [ 0.0015858400000000, -0.0002470100000000, -0.0035164900000000 ] - [ 0.0021078300000000, -0.0090285400000000, 0.0013238400000000 ] - [ 0.0002117100000000, 0.0015229100000000, -0.0026303000000000 ] - [ 0.0021275900000000, -0.0005797500000000, -0.0024165000000000 ] - [ 0.0028351600000000, 0.0026182000000000, -0.0055296800000000 ] - [ 0.0073784200000000, -0.0026669600000000, -0.0056512100000000 ] - [ 0.0010829900000000, 0.0001777800000000, -0.0034745300000000 ]- atom: 7 displacement: [ -0.0099992567053987, 0.0000000000000000, -0.0001219234987175 ] forces: - [ -0.0009368300000000, 0.0050491400000000, 0.0032745400000000 ] - [ -0.0119457400000000, -0.0032198900000000, 0.0047362300000000 ] - [ 0.0004092200000000, 0.0069782400000000, -0.0011613600000000 ] - [ -0.0003246600000000, 0.0042949000000000, 0.0028638800000000 ] - [ -0.0006973300000000, 0.0045801800000000, 0.0022397500000000 ] - [ 0.0032177400000000, 0.0039535800000000, -0.0015054000000000 ] - [ 0.0848443300000000, 0.0059285100000000, 0.0577515000000000 ] - [ -0.0048489100000000, -0.0008255600000000, -0.0017188400000000 ] - [ -0.0025211200000000, -0.0008277700000000, -0.0002578900000000 ] - [ -0.0078439000000000, -0.0005863800000000, -0.0083005000000000 ] - [ -0.0025525300000000, -0.0009440700000000, 0.0014926900000000 ] - [ -0.0078869600000000, -0.0010204200000000, -0.0061695200000000 ] - [ -0.0016273600000000, 0.0054558400000000, 0.0028509700000000 ] - [ -0.0007943900000000, -0.0014159300000000, 0.0017596700000000 ] - [ -0.0005962500000000, 0.0002442000000000, 0.0019822900000000 ] - [ -0.0000871300000000, -0.0026593300000000, 0.0002922600000000 ] - [ 0.0004968300000000, 0.0002683700000000, 0.0007159000000000 ] - [ -0.0006054300000000, -0.0008151300000000, 0.0013315500000000 ] - [ -0.0037948000000000, 0.0003052600000000, -0.0010255500000000 ] - [ -0.0038742400000000, 0.0009144000000000, -0.0009262700000000 ] - [ -0.0039738900000000, 0.0008579500000000, -0.0016607700000000 ] - [ -0.0039727300000000, 0.0009255800000000, -0.0016118000000000 ] - [ -0.0038772200000000, 0.0006967200000000, -0.0007974100000000 ] - [ -0.0037770000000000, 0.0017263600000000, -0.0020106500000000 ] - [ 0.0008722200000000, -0.0068026300000000, 0.0015039000000000 ] - [ -0.0003325900000000, -0.0045923500000000, 0.0023492000000000 ] - [ 0.0000301700000000, -0.0050122500000000, 0.0022066900000000 ] - [ 0.0002532300000000, -0.0051400100000000, 0.0013443500000000 ] - [ -0.0004745700000000, -0.0049788500000000, 0.0030754600000000 ] - [ -0.0003953500000000, -0.0041693000000000, 0.0023119100000000 ] - [ 0.0005190800000000, -0.0001434100000000, 0.0020034100000000 ] - [ -0.0019190300000000, -0.0005263400000000, 0.0014311700000000 ] - [ 0.0007142000000000, -0.0000634200000000, 0.0018752700000000 ] - [ -0.0015485500000000, -0.0000481900000000, 0.0012671300000000 ] - [ 0.0039594800000000, 0.0000220200000000, 0.0022123500000000 ] - [ -0.0016042900000000, -0.0002717800000000, 0.0016488500000000 ] - [ 0.0024807600000000, -0.0111932300000000, -0.0026027700000000 ] - [ -0.0006674300000000, 0.0009822600000000, 0.0015165000000000 ] - [ -0.0002648000000000, 0.0013397400000000, 0.0014724500000000 ] - [ -0.0004130500000000, -0.0002726800000000, 0.0008073400000000 ] - [ -0.0011532700000000, -0.0002909600000000, 0.0027856100000000 ] - [ -0.0007720800000000, 0.0044518200000000, 0.0009330000000000 ] - [ -0.0298767700000000, 0.0025960600000000, -0.0234516600000000 ] - [ -0.0019029800000000, 0.0002415500000000, 0.0019207100000000 ] - [ -0.0015126100000000, 0.0001741300000000, 0.0009749300000000 ] - [ -0.0023314800000000, 0.0003558500000000, 0.0006793200000000 ] - [ -0.0029413700000000, -0.0001766000000000, 0.0023442300000000 ] - [ -0.0227795700000000, -0.0001358100000000, -0.0019120400000000 ] - [ 0.0000029700000000, 0.0026271300000000, 0.0025493900000000 ] - [ -0.0003377500000000, 0.0046026100000000, 0.0023881100000000 ] - [ 0.0002077800000000, 0.0044581100000000, 0.0020369500000000 ] - [ -0.0000924600000000, 0.0045209400000000, 0.0019715600000000 ] - [ -0.0002736500000000, 0.0041518900000000, 0.0026734400000000 ] - [ 0.0001281000000000, 0.0056562600000000, 0.0016257000000000 ] - [ -0.0038313800000000, -0.0008460200000000, -0.0008613700000000 ] - [ -0.0038268500000000, -0.0008580600000000, -0.0011388600000000 ] - [ -0.0036378000000000, -0.0009436100000000, -0.0011235100000000 ] - [ -0.0038563200000000, -0.0008665100000000, -0.0011008200000000 ] - [ -0.0038570500000000, -0.0008690500000000, -0.0010815300000000 ] - [ -0.0036346300000000, -0.0009043500000000, -0.0012862800000000 ] - [ -0.0006621700000000, 0.0008703100000000, 0.0024182100000000 ] - [ -0.0006925600000000, -0.0014528100000000, 0.0014790000000000 ] - [ 0.0000745100000000, -0.0016019600000000, 0.0013785200000000 ] - [ -0.0004797600000000, -0.0006268800000000, 0.0013543000000000 ] - [ -0.0003763600000000, -0.0011072400000000, 0.0015823500000000 ] - [ -0.0002851100000000, -0.0013128000000000, 0.0009697400000000 ] - [ -0.0018522000000000, 0.0007360900000000, 0.0016551100000000 ] - [ -0.0045807300000000, 0.0009711600000000, -0.0017540400000000 ] - [ -0.0033379300000000, 0.0008560000000000, -0.0003232500000000 ] - [ -0.0042608800000000, 0.0009321500000000, -0.0024385500000000 ] - [ -0.0018603500000000, 0.0012819700000000, 0.0016196700000000 ] - [ -0.0045822000000000, 0.0006462500000000, -0.0017761000000000 ] - [ -0.0007531200000000, -0.0025664400000000, 0.0024982500000000 ] - [ -0.0008927900000000, -0.0050329800000000, 0.0044037100000000 ] - [ 0.0003340100000000, -0.0051583900000000, 0.0012872100000000 ] - [ 0.0003717100000000, -0.0047682400000000, 0.0016489600000000 ] - [ -0.0006669100000000, -0.0042710900000000, 0.0027425600000000 ] - [ 0.0018120600000000, -0.0115213000000000, -0.0011593200000000 ] - [ 0.0006948400000000, 0.0002335600000000, 0.0014226300000000 ] - [ -0.0012592500000000, -0.0002023700000000, 0.0015951200000000 ] - [ -0.0008350100000000, -0.0001392700000000, 0.0017517500000000 ] - [ -0.0008477200000000, -0.0005194600000000, 0.0007896500000000 ] - [ -0.0010839700000000, 0.0002382900000000, 0.0023939800000000 ] - [ -0.0024381300000000, -0.0009386500000000, 0.0016485600000000 ] - [ -0.0008447600000000, -0.0011554000000000, 0.0024334100000000 ] - [ -0.0004310400000000, 0.0014251200000000, 0.0012976500000000 ] - [ -0.0003423300000000, 0.0003055300000000, 0.0014953600000000 ] - [ -0.0002033200000000, 0.0012975300000000, 0.0010204400000000 ] - [ -0.0000450500000000, -0.0007427700000000, 0.0013490300000000 ] - [ -0.0005552300000000, 0.0009567500000000, 0.0015203400000000 ] - [ 0.0010365300000000, 0.0001366300000000, 0.0019529900000000 ] - [ -0.0012582600000000, 0.0002033500000000, 0.0016275100000000 ] - [ -0.0000166400000000, 0.0001326600000000, 0.0018535900000000 ] - [ -0.0009893500000000, 0.0001247300000000, 0.0013872300000000 ] - [ 0.0011260700000000, 0.0000848300000000, 0.0019057800000000 ] - [ -0.0011953200000000, 0.0001755000000000, 0.0015671400000000 ] - [ -0.0015595900000000, -0.0035488400000000, 0.0000536200000000 ] - [ 0.0028692400000000, 0.0022062600000000, -0.0012924100000000 ] - [ 0.0013358000000000, 0.0008822500000000, -0.0010120400000000 ] - [ 0.0030743800000000, 0.0033107000000000, -0.0007462500000000 ] - [ 0.0009550600000000, 0.0002241700000000, -0.0005071800000000 ] - [ 0.0026935600000000, 0.0011584900000000, -0.0005587000000000 ] - [ -0.0190154500000000, -0.0006085600000000, -0.0100870700000000 ] - [ 0.0033642400000000, -0.0015603700000000, -0.0009549100000000 ] - [ 0.0018208500000000, -0.0017571600000000, -0.0018612000000000 ] - [ 0.0026795700000000, -0.0001499800000000, 0.0032255500000000 ] - [ 0.0034054900000000, -0.0007510800000000, -0.0053548600000000 ] - [ 0.0105717200000000, -0.0046872000000000, -0.0014952300000000 ] - [ 0.0017113800000000, -0.0013700800000000, -0.0041928200000000 ] - [ 0.0038977100000000, 0.0018778600000000, -0.0010804300000000 ] - [ 0.0003394100000000, 0.0013889700000000, -0.0024042500000000 ] - [ 0.0027220900000000, 0.0010353600000000, -0.0003781600000000 ] - [ 0.0019786600000000, 0.0013914900000000, -0.0018452700000000 ] - [ 0.0027184500000000, 0.0022098400000000, 0.0006354600000000 ] - [ 0.0009679300000000, -0.0004042700000000, -0.0007666100000000 ] - [ 0.0025564600000000, -0.0016072000000000, -0.0010456800000000 ] - [ 0.0015769600000000, -0.0010370300000000, -0.0009306200000000 ] - [ 0.0022680900000000, -0.0015064400000000, -0.0007249200000000 ] - [ 0.0006200800000000, -0.0006825500000000, -0.0005944100000000 ] - [ 0.0025031500000000, -0.0014148600000000, -0.0010424600000000 ] - [ 0.0039288600000000, -0.0021542200000000, -0.0076283800000000 ] - [ 0.0151690200000000, -0.0029477700000000, 0.0080534500000000 ] - [ 0.0008014900000000, -0.0016375900000000, -0.0018777800000000 ] - [ 0.0059851500000000, 0.0007895600000000, 0.0000971700000000 ] - [ -0.0194898600000000, 0.0066407400000000, -0.0157294400000000 ] - [ 0.0055786100000000, -0.0003983700000000, -0.0031052700000000 ] - [ 0.0010268500000000, 0.0081744500000000, -0.0067901200000000 ] - [ 0.0040064500000000, 0.0001478600000000, -0.0033938500000000 ] - [ 0.0012966300000000, 0.0003942100000000, -0.0025114100000000 ] - [ 0.0038815500000000, 0.0011404800000000, -0.0020848900000000 ] - [ 0.0026826000000000, 0.0014734500000000, -0.0049954200000000 ] - [ 0.0035287000000000, -0.0028154300000000, -0.0008526700000000 ] - [ 0.0008568700000000, 0.0013653300000000, -0.0029545200000000 ] - [ 0.0035531700000000, -0.0003977900000000, -0.0031053100000000 ] - [ 0.0025065300000000, 0.0002511600000000, -0.0037367500000000 ] - [ 0.0027002800000000, 0.0001840700000000, -0.0018513700000000 ] - [ 0.0024235100000000, -0.0005429300000000, -0.0051517300000000 ] - [ 0.0035186300000000, -0.0001372300000000, -0.0029642900000000 ] - [ 0.0029708100000000, 0.0095524000000000, -0.0078795300000000 ] - [ 0.0048983800000000, -0.0011383300000000, -0.0038530200000000 ] - [ 0.0029715000000000, 0.0009775300000000, -0.0040826100000000 ] - [ 0.0022830200000000, -0.0022359100000000, -0.0009357000000000 ] - [ -0.0023405200000000, 0.0030762700000000, -0.0007953800000000 ] - [ 0.0040252900000000, 0.0002082100000000, -0.0030042200000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000663700000000, 0.0044678000000000, 0.0021281100000000 ] - [ 0.0046272600000000, 0.0042610000000000, 0.0027313200000000 ] - [ -0.0001347700000000, 0.0044180000000000, 0.0023193400000000 ] - [ 0.0000855500000000, 0.0046749100000000, 0.0020049600000000 ] - [ -0.0000754200000000, 0.0046215200000000, 0.0021322900000000 ] - [ 0.0003025900000000, 0.0039404400000000, 0.0020620000000000 ] - [ -0.0101486100000000, -0.0311648400000000, -0.0236700600000000 ] - [ -0.0036693000000000, -0.0008960600000000, -0.0009165500000000 ] - [ -0.0035422600000000, -0.0010731500000000, -0.0011772100000000 ] - [ -0.0034837000000000, -0.0009566400000000, -0.0006999200000000 ] - [ -0.0036662600000000, -0.0010731300000000, -0.0009799700000000 ] - [ -0.0039067600000000, -0.0009568600000000, -0.0012203200000000 ] - [ -0.0027686900000000, -0.0002515900000000, -0.0006267900000000 ] - [ -0.0002440900000000, -0.0010222700000000, 0.0013511100000000 ] - [ -0.0002595100000000, -0.0013503800000000, 0.0012685800000000 ] - [ -0.0000784700000000, -0.0012744100000000, 0.0014581900000000 ] - [ -0.0002964300000000, -0.0010608600000000, 0.0010289700000000 ] - [ -0.0003313500000000, -0.0011517500000000, 0.0013885000000000 ] - [ -0.0027803600000000, 0.0011655500000000, 0.0000098300000000 ] - [ -0.0037993800000000, 0.0008684900000000, -0.0008790800000000 ] - [ -0.0035734200000000, 0.0008922900000000, -0.0005912700000000 ] - [ -0.0036357900000000, 0.0008924300000000, -0.0010151700000000 ] - [ -0.0035813300000000, 0.0008681700000000, -0.0008445700000000 ] - [ -0.0041767500000000, 0.0011677100000000, -0.0020182000000000 ] - [ -0.0003548100000000, -0.0034129200000000, 0.0025474000000000 ] - [ -0.0000276200000000, -0.0046275300000000, 0.0021269600000000 ] - [ -0.0001872000000000, -0.0043280800000000, 0.0023858000000000 ] - [ 0.0000077100000000, -0.0045447800000000, 0.0021464000000000 ] - [ 0.0001786900000000, -0.0040387000000000, 0.0018994700000000 ] - [ -0.0001801100000000, -0.0044734500000000, 0.0022217800000000 ] - [ -0.0009606500000000, -0.0001320800000000, 0.0017362600000000 ] - [ 0.0001498700000000, -0.0001178500000000, 0.0017847700000000 ] - [ -0.0003222100000000, -0.0001303500000000, 0.0016275900000000 ] - [ -0.0006410400000000, -0.0001540600000000, 0.0017015900000000 ] - [ -0.0007942600000000, 0.0016667600000000, 0.0016145600000000 ] - [ -0.0003935500000000, -0.0001718100000000, 0.0016872500000000 ] - [ 0.0028572100000000, 0.0017403600000000, 0.0219416700000000 ] - [ -0.0003287500000000, 0.0006987000000000, 0.0014225100000000 ] - [ -0.0004108600000000, 0.0003369500000000, 0.0015088600000000 ] - [ -0.0003196300000000, 0.0007324400000000, 0.0014072100000000 ] - [ 0.0004158100000000, 0.0005082200000000, 0.0008700200000000 ] - [ -0.0004677500000000, 0.0007503100000000, 0.0014187900000000 ] - [ 0.0012676100000000, -0.0028484500000000, 0.0036292800000000 ] - [ -0.0002305300000000, 0.0000982200000000, 0.0016755700000000 ] - [ -0.0004125700000000, -0.0000830200000000, 0.0012354300000000 ] - [ -0.0002155300000000, 0.0000898200000000, 0.0017267100000000 ] - [ -0.0003992400000000, -0.0000759700000000, 0.0017182800000000 ] - [ -0.0016972600000000, 0.0000314000000000, 0.0019108800000000 ] - [ 0.0003943600000000, 0.0066447300000000, 0.0015768000000000 ] - [ -0.0000145600000000, 0.0048807200000000, 0.0021317100000000 ] - [ -0.0000130600000000, 0.0053331100000000, 0.0021247300000000 ] - [ 0.0000351100000000, 0.0049491000000000, 0.0020649900000000 ] - [ -0.0000558500000000, 0.0051334400000000, 0.0021852800000000 ] - [ 0.0000136900000000, 0.0050435400000000, 0.0020441900000000 ] - [ -0.0036356400000000, -0.0006706300000000, -0.0009659300000000 ] - [ -0.0036519000000000, -0.0006696700000000, -0.0007753900000000 ] - [ -0.0035921200000000, -0.0006991100000000, -0.0008063000000000 ] - [ -0.0036266100000000, -0.0007811000000000, -0.0008874900000000 ] - [ -0.0036291900000000, -0.0007811100000000, -0.0008627100000000 ] - [ -0.0035542000000000, -0.0006989700000000, -0.0007765600000000 ] - [ -0.0010121500000000, 0.0022747600000000, 0.0025501900000000 ] - [ -0.0003279700000000, -0.0005488700000000, 0.0014695600000000 ] - [ -0.0006245800000000, 0.0003971600000000, 0.0013989100000000 ] - [ -0.0003598000000000, -0.0006685600000000, 0.0014402300000000 ] - [ -0.0004340100000000, -0.0005810200000000, 0.0015375600000000 ] - [ -0.0003303000000000, -0.0005197300000000, 0.0014829100000000 ] - [ -0.0031954700000000, 0.0017311600000000, -0.0028890600000000 ] - [ -0.0038431500000000, 0.0008232500000000, -0.0012931800000000 ] - [ -0.0036387100000000, 0.0008531400000000, -0.0009384300000000 ] - [ -0.0035647300000000, 0.0008192200000000, -0.0008617900000000 ] - [ -0.0037738800000000, 0.0017348100000000, 0.0000771200000000 ] - [ -0.0035257500000000, 0.0008229700000000, -0.0007859000000000 ] - [ 0.0001366700000000, -0.0053281200000000, 0.0018219600000000 ] - [ 0.0003519700000000, -0.0050592800000000, 0.0016542800000000 ] - [ -0.0000234300000000, -0.0049990300000000, 0.0019863900000000 ] - [ -0.0000164900000000, -0.0050347000000000, 0.0021441300000000 ] - [ -0.0000289800000000, -0.0049022100000000, 0.0021527900000000 ] - [ 0.0031173600000000, -0.0059330400000000, 0.0061874600000000 ] - [ -0.0008683900000000, -0.0000331700000000, 0.0014499400000000 ] - [ -0.0004314600000000, -0.0001798400000000, 0.0016384500000000 ] - [ -0.0004779600000000, -0.0001718900000000, 0.0016368000000000 ] - [ 0.0003176200000000, -0.0001078900000000, 0.0021329200000000 ] - [ -0.0027702000000000, -0.0000327100000000, 0.0022655200000000 ] - [ 0.0003530400000000, -0.0001052700000000, 0.0017811200000000 ] - [ -0.0001674800000000, 0.0015933400000000, 0.0012099200000000 ] - [ -0.0003601200000000, 0.0011527800000000, 0.0012906200000000 ] - [ -0.0003295000000000, 0.0010765500000000, 0.0014109400000000 ] - [ -0.0003340900000000, 0.0010934200000000, 0.0013793000000000 ] - [ -0.0002677700000000, 0.0015129000000000, 0.0014147900000000 ] - [ -0.0003540800000000, 0.0010075200000000, 0.0014219000000000 ] - [ -0.0007264900000000, 0.0004395300000000, 0.0017100500000000 ] - [ -0.0005097300000000, 0.0002594900000000, 0.0016558600000000 ] - [ -0.0005294600000000, 0.0002492100000000, 0.0016561800000000 ] - [ -0.0004087200000000, 0.0002747500000000, 0.0016873500000000 ] - [ -0.0004583100000000, 0.0004388100000000, 0.0016492700000000 ] - [ -0.0004714200000000, 0.0002400600000000, 0.0016857800000000 ] - [ 0.0032917300000000, -0.0009532500000000, -0.0002149400000000 ] - [ 0.0017660200000000, 0.0013844700000000, -0.0010552400000000 ] - [ 0.0022181300000000, 0.0016298600000000, -0.0012093700000000 ] - [ 0.0011872200000000, 0.0012520600000000, -0.0018369500000000 ] - [ 0.0017840000000000, 0.0011024900000000, -0.0006686900000000 ] - [ 0.0019305700000000, 0.0015580400000000, -0.0013382600000000 ] - [ 0.0030791500000000, 0.0260895900000000, 0.0004951800000000 ] - [ 0.0017209000000000, -0.0011972700000000, -0.0009947800000000 ] - [ 0.0017116900000000, -0.0009105200000000, -0.0007765800000000 ] - [ 0.0017379900000000, -0.0011557100000000, -0.0010753200000000 ] - [ 0.0014619500000000, 0.0005190700000000, -0.0007087600000000 ] - [ 0.0021325900000000, -0.0010178500000000, -0.0011957500000000 ] - [ 0.0040933500000000, -0.0011474300000000, -0.0028292700000000 ] - [ 0.0014370800000000, 0.0012171100000000, -0.0010152200000000 ] - [ 0.0023991500000000, 0.0006010100000000, 0.0007044500000000 ] - [ 0.0018469100000000, 0.0012773500000000, -0.0009093400000000 ] - [ 0.0020033200000000, 0.0012835500000000, -0.0011691400000000 ] - [ 0.0013049400000000, 0.0011793100000000, -0.0010533800000000 ] - [ 0.0021599200000000, -0.0020084800000000, -0.0013219500000000 ] - [ 0.0019181800000000, -0.0018240300000000, -0.0010184000000000 ] - [ 0.0019378200000000, -0.0016438800000000, -0.0011006900000000 ] - [ 0.0018931100000000, -0.0016830800000000, -0.0011718600000000 ] - [ 0.0018562400000000, -0.0022715600000000, -0.0011510200000000 ] - [ 0.0019173300000000, -0.0015768000000000, -0.0011219500000000 ] - [ 0.0021363800000000, 0.0008712000000000, -0.0025989900000000 ] - [ 0.0018168900000000, 0.0005419800000000, -0.0037830600000000 ] - [ 0.0024433200000000, 0.0004847000000000, -0.0031396800000000 ] - [ 0.0029503100000000, 0.0003330800000000, -0.0030025500000000 ] - [ -0.0005244600000000, 0.0117160500000000, -0.0049367800000000 ] - [ 0.0025319800000000, 0.0001841100000000, -0.0032782500000000 ] - [ -0.0004100800000000, -0.0063160900000000, -0.0028863900000000 ] - [ 0.0027276500000000, 0.0001762900000000, -0.0033216900000000 ] - [ 0.0035025200000000, -0.0002860400000000, -0.0043975300000000 ] - [ 0.0023134600000000, 0.0000350500000000, -0.0033940500000000 ] - [ 0.0023470400000000, -0.0003150500000000, -0.0031447900000000 ] - [ 0.0033517800000000, -0.0001196100000000, -0.0028216000000000 ] - [ 0.0028116800000000, -0.0021706200000000, -0.0036518100000000 ] - [ 0.0025546700000000, -0.0005146600000000, -0.0032184600000000 ] - [ 0.0026580100000000, -0.0007872600000000, -0.0033386300000000 ] - [ 0.0024411600000000, -0.0007180800000000, -0.0033182700000000 ] - [ 0.0027524300000000, -0.0025476900000000, -0.0034222200000000 ] - [ 0.0026139000000000, -0.0007107400000000, -0.0033827800000000 ] - [ 0.0001799900000000, -0.0019508300000000, -0.0027887600000000 ] - [ 0.0036672100000000, 0.0004805700000000, -0.0021177800000000 ] - [ 0.0023803600000000, 0.0000985100000000, -0.0030681000000000 ] - [ 0.0029570100000000, 0.0003334000000000, -0.0027864200000000 ] - [ 0.0023581800000000, -0.0005534200000000, -0.0056817300000000 ] - [ 0.0025375700000000, 0.0002370000000000, -0.0032367200000000 ]- atom: 7 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000490700000000, 0.0050564500000000, 0.0021159300000000 ] - [ -0.0046464300000000, 0.0052822900000000, 0.0015188100000000 ] - [ 0.0001174300000000, 0.0051117800000000, 0.0019104900000000 ] - [ -0.0000990300000000, 0.0048474400000000, 0.0022346200000000 ] - [ 0.0000608600000000, 0.0049021000000000, 0.0021042000000000 ] - [ -0.0003262800000000, 0.0055853200000000, 0.0021762000000000 ] - [ 0.0027010300000000, 0.0295635000000000, 0.0223741400000000 ] - [ -0.0036334800000000, -0.0007908700000000, -0.0009320100000000 ] - [ -0.0037523400000000, -0.0006143900000000, -0.0006691900000000 ] - [ -0.0038315700000000, -0.0007296900000000, -0.0011697500000000 ] - [ -0.0036364700000000, -0.0006143800000000, -0.0008681900000000 ] - [ -0.0033983100000000, -0.0007298900000000, -0.0006328200000000 ] - [ 0.0020327200000000, -0.0014350200000000, 0.0034631600000000 ] - [ -0.0004346300000000, -0.0007113500000000, 0.0014727700000000 ] - [ -0.0004176900000000, -0.0003827700000000, 0.0015543900000000 ] - [ -0.0005996100000000, -0.0004670800000000, 0.0013612900000000 ] - [ -0.0003806300000000, -0.0006729300000000, 0.0017914300000000 ] - [ -0.0003463000000000, -0.0005834500000000, 0.0014328600000000 ] - [ -0.0045172700000000, 0.0005198400000000, -0.0018499700000000 ] - [ -0.0035045200000000, 0.0008189300000000, -0.0009678300000000 ] - [ -0.0037295900000000, 0.0007942300000000, -0.0012579400000000 ] - [ -0.0036679300000000, 0.0007943600000000, -0.0008358900000000 ] - [ -0.0037203500000000, 0.0008186100000000, -0.0010022600000000 ] - [ -0.0031329200000000, 0.0005219600000000, 0.0001548000000000 ] - [ 0.0003405200000000, -0.0061186300000000, 0.0016957900000000 ] - [ 0.0000116600000000, -0.0048935400000000, 0.0021135500000000 ] - [ 0.0001727500000000, -0.0051940700000000, 0.0018537700000000 ] - [ -0.0000226100000000, -0.0049773700000000, 0.0020919200000000 ] - [ -0.0001955200000000, -0.0054885800000000, 0.0023441100000000 ] - [ 0.0001629600000000, -0.0050466900000000, 0.0020185100000000 ] - [ 0.0001123000000000, -0.0002281500000000, 0.0016099700000000 ] - [ -0.0010029900000000, -0.0002436400000000, 0.0015604700000000 ] - [ -0.0005264800000000, -0.0002296600000000, 0.0017165900000000 ] - [ -0.0002141300000000, -0.0002062200000000, 0.0016420600000000 ] - [ -0.0000416700000000, -0.0019979400000000, 0.0017310400000000 ] - [ -0.0004577700000000, -0.0001885500000000, 0.0016573700000000 ] - [ -0.0035106000000000, 0.0000729000000000, -0.0187887600000000 ] - [ -0.0003494600000000, 0.0010323300000000, 0.0014005500000000 ] - [ -0.0002662100000000, 0.0013905900000000, 0.0013138900000000 ] - [ -0.0003590000000000, 0.0009951700000000, 0.0014148700000000 ] - [ -0.0010890600000000, 0.0012241600000000, 0.0019499500000000 ] - [ -0.0002109100000000, 0.0009782400000000, 0.0014030600000000 ] - [ -0.0022343300000000, 0.0031900800000000, -0.0002789700000000 ] - [ -0.0006187800000000, 0.0002618500000000, 0.0016692600000000 ] - [ -0.0004331500000000, 0.0004421700000000, 0.0020980500000000 ] - [ -0.0006422700000000, 0.0002710000000000, 0.0016151300000000 ] - [ -0.0004465100000000, 0.0004360400000000, 0.0016254300000000 ] - [ 0.0008623600000000, 0.0003204200000000, 0.0014236400000000 ] - [ -0.0004100100000000, 0.0028588600000000, 0.0026668800000000 ] - [ -0.0000011300000000, 0.0046400200000000, 0.0021084200000000 ] - [ -0.0000017300000000, 0.0041861900000000, 0.0021155800000000 ] - [ -0.0000505100000000, 0.0045706600000000, 0.0021749400000000 ] - [ 0.0000417400000000, 0.0043869600000000, 0.0020532200000000 ] - [ -0.0000292000000000, 0.0044785600000000, 0.0021946100000000 ] - [ -0.0036652600000000, -0.0010171500000000, -0.0008799200000000 ] - [ -0.0036519400000000, -0.0010161700000000, -0.0010730800000000 ] - [ -0.0037097400000000, -0.0009879700000000, -0.0010408300000000 ] - [ -0.0036762300000000, -0.0009058200000000, -0.0009612400000000 ] - [ -0.0036731200000000, -0.0009058200000000, -0.0009855800000000 ] - [ -0.0037495600000000, -0.0009878300000000, -0.0010747400000000 ] - [ 0.0003404000000000, -0.0040468100000000, 0.0002580000000000 ] - [ -0.0003498600000000, -0.0011818700000000, 0.0013533200000000 ] - [ -0.0000499400000000, -0.0021332000000000, 0.0014276600000000 ] - [ -0.0003181400000000, -0.0010628400000000, 0.0013826700000000 ] - [ -0.0002429300000000, -0.0011507000000000, 0.0012843500000000 ] - [ -0.0003479100000000, -0.0012116500000000, 0.0013393500000000 ] - [ -0.0041173300000000, -0.0000600600000000, 0.0010694600000000 ] - [ -0.0034587000000000, 0.0008647200000000, -0.0005525300000000 ] - [ -0.0036636500000000, 0.0008345300000000, -0.0009110500000000 ] - [ -0.0037407700000000, 0.0008690200000000, -0.0009910900000000 ] - [ -0.0035282500000000, -0.0000563800000000, -0.0019380000000000 ] - [ -0.0037776100000000, 0.0008644600000000, -0.0010636000000000 ] - [ -0.0001547400000000, -0.0041816300000000, 0.0024240800000000 ] - [ -0.0003685800000000, -0.0044590900000000, 0.0025841500000000 ] - [ 0.0000088800000000, -0.0045202200000000, 0.0022514600000000 ] - [ 0.0000014600000000, -0.0044856600000000, 0.0020951700000000 ] - [ 0.0000140200000000, -0.0046173600000000, 0.0020872100000000 ] - [ -0.0031761900000000, -0.0036101100000000, -0.0020018400000000 ] - [ 0.0000237200000000, -0.0003154700000000, 0.0018906300000000 ] - [ -0.0004181000000000, -0.0001798300000000, 0.0017065900000000 ] - [ -0.0003695400000000, -0.0001875800000000, 0.0017078300000000 ] - [ -0.0011738400000000, -0.0002522500000000, 0.0012087500000000 ] - [ 0.0019548600000000, -0.0003259300000000, 0.0010705700000000 ] - [ -0.0012032700000000, -0.0002531400000000, 0.0015632000000000 ] - [ -0.0005104500000000, 0.0001398300000000, 0.0016122400000000 ] - [ -0.0003169700000000, 0.0005804100000000, 0.0015330400000000 ] - [ -0.0003478500000000, 0.0006557600000000, 0.0014110400000000 ] - [ -0.0003428800000000, 0.0006419900000000, 0.0014418500000000 ] - [ -0.0004107700000000, 0.0002207600000000, 0.0014075500000000 ] - [ -0.0003230800000000, 0.0007258400000000, 0.0014002500000000 ] - [ -0.0001222500000000, -0.0000780800000000, 0.0016363700000000 ] - [ -0.0003393800000000, 0.0001006700000000, 0.0016890900000000 ] - [ -0.0003197800000000, 0.0001111900000000, 0.0016886200000000 ] - [ -0.0004429300000000, 0.0000855800000000, 0.0016569500000000 ] - [ -0.0003915200000000, -0.0000792800000000, 0.0016946700000000 ] - [ -0.0003792300000000, 0.0001203300000000, 0.0016586800000000 ] - [ 0.0004576600000000, 0.0036962400000000, -0.0018423700000000 ] - [ 0.0019839500000000, 0.0013918400000000, -0.0010203400000000 ] - [ 0.0015307600000000, 0.0011445400000000, -0.0008662200000000 ] - [ 0.0025654300000000, 0.0015313400000000, -0.0002409600000000 ] - [ 0.0019639300000000, 0.0016706400000000, -0.0014004600000000 ] - [ 0.0018208500000000, 0.0012178500000000, -0.0007356700000000 ] - [ 0.0006051600000000, -0.0289814500000000, -0.0035288100000000 ] - [ 0.0020289500000000, -0.0015752700000000, -0.0010788900000000 ] - [ 0.0020291600000000, -0.0018593600000000, -0.0012946800000000 ] - [ 0.0020153800000000, -0.0016131100000000, -0.0009881300000000 ] - [ 0.0022777000000000, -0.0032921600000000, -0.0013622300000000 ] - [ 0.0016084700000000, -0.0017506000000000, -0.0008722200000000 ] - [ -0.0003572000000000, 0.0039237500000000, 0.0007870000000000 ] - [ 0.0023111700000000, 0.0015557200000000, -0.0010576600000000 ] - [ 0.0013299500000000, 0.0021632500000000, -0.0027925000000000 ] - [ 0.0019032400000000, 0.0014947300000000, -0.0011646100000000 ] - [ 0.0017432300000000, 0.0014885900000000, -0.0009018300000000 ] - [ 0.0024478800000000, 0.0015932100000000, -0.0010176300000000 ] - [ 0.0015902200000000, -0.0007658000000000, -0.0007532800000000 ] - [ 0.0018300600000000, -0.0009479800000000, -0.0010577200000000 ] - [ 0.0018111000000000, -0.0011290100000000, -0.0009725100000000 ] - [ 0.0018570600000000, -0.0010915900000000, -0.0009028400000000 ] - [ 0.0018938900000000, -0.0005019600000000, -0.0009197000000000 ] - [ 0.0018319800000000, -0.0011964400000000, -0.0009520800000000 ] - [ 0.0029533100000000, -0.0012567700000000, -0.0038912100000000 ] - [ 0.0033389700000000, -0.0009408400000000, -0.0026604600000000 ] - [ 0.0026525900000000, -0.0008729600000000, -0.0033382300000000 ] - [ 0.0021503400000000, -0.0007196800000000, -0.0034717800000000 ] - [ 0.0059755200000000, -0.0121373600000000, -0.0014329600000000 ] - [ 0.0025640900000000, -0.0005721100000000, -0.0032097900000000 ] - [ 0.0054919900000000, 0.0067284600000000, -0.0036483000000000 ] - [ 0.0023717800000000, 0.0002130300000000, -0.0031642800000000 ] - [ 0.0015919000000000, 0.0006784700000000, -0.0020904100000000 ] - [ 0.0027868300000000, 0.0003574000000000, -0.0030895700000000 ] - [ 0.0027462800000000, 0.0007024400000000, -0.0033411500000000 ] - [ 0.0017567600000000, 0.0005077800000000, -0.0036567700000000 ] - [ 0.0022796600000000, 0.0017879600000000, -0.0028359600000000 ] - [ 0.0025419900000000, 0.0001267200000000, -0.0032679700000000 ] - [ 0.0024362100000000, 0.0004000600000000, -0.0031463700000000 ] - [ 0.0026572700000000, 0.0003302300000000, -0.0031640800000000 ] - [ 0.0023364500000000, 0.0021787000000000, -0.0030597400000000 ] - [ 0.0024850200000000, 0.0003208800000000, -0.0031027300000000 ] - [ 0.0049362100000000, 0.0023297900000000, -0.0036895300000000 ] - [ 0.0014195700000000, -0.0001011400000000, -0.0043841700000000 ] - [ 0.0027152700000000, 0.0002877600000000, -0.0034167900000000 ] - [ 0.0021411400000000, 0.0000419100000000, -0.0036938900000000 ] - [ 0.0027471000000000, 0.0009414700000000, -0.0007956700000000 ] - [ 0.0025567300000000, 0.0001475300000000, -0.0032472900000000 ]- atom: 7 displacement: [ -0.0054706835898182, 0.0000000000000000, 0.0083708793480789 ] forces: - [ 0.0005089700000000, 0.0048371200000000, 0.0012448400000000 ] - [ -0.0051558400000000, 0.0043664200000000, -0.0033260500000000 ] - [ 0.0004066200000000, 0.0036999700000000, 0.0035105600000000 ] - [ -0.0005551000000000, 0.0045920100000000, 0.0025197700000000 ] - [ 0.0003080900000000, 0.0046945700000000, 0.0026288300000000 ] - [ -0.0005376400000000, 0.0049684100000000, 0.0040061700000000 ] - [ -0.0040382100000000, -0.0169575400000000, -0.1442628700000000 ] - [ -0.0036300700000000, -0.0008275400000000, -0.0015575000000000 ] - [ -0.0050784300000000, -0.0008830200000000, -0.0006282800000000 ] - [ -0.0016172900000000, -0.0009508300000000, 0.0022805900000000 ] - [ -0.0036113200000000, -0.0011128000000000, 0.0003287000000000 ] - [ 0.0001714400000000, -0.0007416300000000, 0.0034452300000000 ] - [ -0.0012577900000000, -0.0036170600000000, -0.0027915300000000 ] - [ -0.0001404300000000, -0.0009263200000000, 0.0010774800000000 ] - [ -0.0005476200000000, -0.0010483000000000, 0.0014789400000000 ] - [ 0.0001767400000000, -0.0001563600000000, 0.0019880000000000 ] - [ -0.0005922000000000, -0.0020685700000000, 0.0022681600000000 ] - [ -0.0001843600000000, -0.0009794200000000, 0.0016595400000000 ] - [ -0.0028176500000000, 0.0014707400000000, -0.0006169700000000 ] - [ -0.0038755300000000, 0.0008154900000000, -0.0012652000000000 ] - [ -0.0032649300000000, 0.0009278000000000, 0.0000895200000000 ] - [ -0.0032261500000000, 0.0006071500000000, 0.0001152800000000 ] - [ -0.0037672800000000, 0.0007265200000000, -0.0011953200000000 ] - [ -0.0036447600000000, 0.0005380000000000, -0.0011484300000000 ] - [ -0.0006172800000000, -0.0016378500000000, 0.0025252500000000 ] - [ 0.0000484500000000, -0.0048092800000000, 0.0020669300000000 ] - [ -0.0005296100000000, -0.0041741700000000, 0.0028586000000000 ] - [ -0.0000305000000000, -0.0046418100000000, 0.0025504000000000 ] - [ 0.0007810700000000, -0.0046559900000000, 0.0006593700000000 ] - [ 0.0002020600000000, -0.0052507400000000, 0.0019625400000000 ] - [ -0.0014453400000000, -0.0001144900000000, 0.0015585000000000 ] - [ 0.0012480600000000, 0.0000218500000000, 0.0018088100000000 ] - [ -0.0011545000000000, -0.0004983600000000, 0.0017163100000000 ] - [ 0.0004133000000000, -0.0002723700000000, 0.0019967300000000 ] - [ -0.0023422200000000, -0.0003259800000000, 0.0005003800000000 ] - [ -0.0002449800000000, -0.0002011100000000, 0.0016512500000000 ] - [ 0.0047684200000000, 0.0247938100000000, -0.0002745000000000 ] - [ -0.0003069600000000, 0.0007642200000000, 0.0013824300000000 ] - [ -0.0006026500000000, 0.0010469400000000, 0.0017287300000000 ] - [ -0.0002329500000000, 0.0009608600000000, 0.0018688900000000 ] - [ -0.0016561700000000, -0.0010375200000000, 0.0022009800000000 ] - [ -0.0000666000000000, -0.0018968600000000, 0.0016386300000000 ] - [ 0.0151578600000000, 0.0008613900000000, -0.0107474000000000 ] - [ -0.0009274500000000, 0.0001602800000000, 0.0013938600000000 ] - [ 0.0002502500000000, 0.0002456800000000, 0.0040539800000000 ] - [ 0.0011464200000000, 0.0000499300000000, 0.0024358800000000 ] - [ -0.0033047500000000, -0.0002462700000000, 0.0022690400000000 ] - [ 0.0168164000000000, 0.0010671400000000, 0.0043695300000000 ] - [ 0.0005691300000000, 0.0084540800000000, 0.0009530200000000 ] - [ 0.0000481700000000, 0.0047225100000000, 0.0020452100000000 ] - [ -0.0003333300000000, 0.0050459300000000, 0.0025321900000000 ] - [ 0.0000391300000000, 0.0047769600000000, 0.0022584200000000 ] - [ -0.0001455100000000, 0.0043229200000000, 0.0022231600000000 ] - [ 0.0000034100000000, 0.0042284100000000, 0.0023137300000000 ] - [ -0.0035660600000000, -0.0007187500000000, -0.0011346800000000 ] - [ -0.0037966400000000, -0.0008874200000000, -0.0012836800000000 ] - [ -0.0033470000000000, -0.0007718800000000, -0.0004190200000000 ] - [ -0.0036340300000000, -0.0008039900000000, -0.0007583800000000 ] - [ -0.0036177000000000, -0.0008261200000000, -0.0007480600000000 ] - [ -0.0034827700000000, -0.0007772300000000, -0.0005062600000000 ] - [ -0.0006202000000000, 0.0013191700000000, 0.0015269900000000 ] - [ -0.0003172500000000, -0.0008306600000000, 0.0013799000000000 ] - [ -0.0006306600000000, -0.0010786700000000, 0.0016326800000000 ] - [ -0.0003113800000000, -0.0008374400000000, 0.0014841000000000 ] - [ -0.0005200100000000, -0.0004970200000000, 0.0015991700000000 ] - [ -0.0002814700000000, -0.0003825400000000, 0.0016731400000000 ] - [ -0.0047908100000000, -0.0000664800000000, -0.0017442900000000 ] - [ -0.0034481800000000, 0.0007958500000000, -0.0008557000000000 ] - [ -0.0039838200000000, 0.0008618400000000, -0.0008721200000000 ] - [ -0.0027380400000000, 0.0008371700000000, 0.0006446300000000 ] - [ -0.0048138200000000, 0.0027450200000000, -0.0017573400000000 ] - [ -0.0034640800000000, 0.0010483700000000, -0.0008648900000000 ] - [ 0.0007250900000000, -0.0061080600000000, 0.0014815000000000 ] - [ -0.0000268200000000, -0.0049234200000000, 0.0019730800000000 ] - [ -0.0000536300000000, -0.0045143100000000, 0.0029064400000000 ] - [ -0.0005764500000000, -0.0041976800000000, 0.0030498200000000 ] - [ -0.0000029300000000, -0.0046136900000000, 0.0020807900000000 ] - [ 0.0014975500000000, -0.0000442100000000, 0.0041024100000000 ] - [ 0.0002173000000000, -0.0019519900000000, 0.0026141000000000 ] - [ -0.0002842900000000, -0.0001384800000000, 0.0017583300000000 ] - [ -0.0006206800000000, -0.0001696800000000, 0.0018823900000000 ] - [ 0.0009564100000000, 0.0001366500000000, 0.0024326000000000 ] - [ -0.0017849400000000, -0.0002638000000000, 0.0013950500000000 ] - [ -0.0008292500000000, -0.0001529300000000, 0.0013891500000000 ] - [ -0.0004336400000000, 0.0012356600000000, 0.0012006000000000 ] - [ -0.0002369500000000, 0.0008515000000000, 0.0012448000000000 ] - [ -0.0004613000000000, 0.0011762100000000, 0.0015656700000000 ] - [ -0.0003123800000000, 0.0006015200000000, 0.0017610200000000 ] - [ -0.0002138500000000, 0.0023517700000000, 0.0011664400000000 ] - [ -0.0003061900000000, 0.0008981400000000, 0.0014352700000000 ] - [ -0.0013435500000000, 0.0001847100000000, 0.0014064000000000 ] - [ -0.0000756700000000, 0.0001971100000000, 0.0016668500000000 ] - [ -0.0008378900000000, 0.0002208300000000, 0.0016946700000000 ] - [ 0.0003640800000000, 0.0002259000000000, 0.0018954200000000 ] - [ -0.0012205400000000, 0.0003759500000000, 0.0014661400000000 ] - [ -0.0002383700000000, 0.0001905200000000, 0.0017531100000000 ] - [ 0.0032647700000000, 0.0023804600000000, -0.0007336400000000 ] - [ 0.0016402200000000, 0.0013548600000000, -0.0006961100000000 ] - [ 0.0025926800000000, 0.0015242100000000, -0.0010051600000000 ] - [ 0.0000764400000000, 0.0000528000000000, -0.0017639600000000 ] - [ 0.0023152200000000, 0.0031740500000000, -0.0018845200000000 ] - [ 0.0012620200000000, 0.0016466500000000, -0.0017998300000000 ] - [ 0.0084877100000000, -0.0029033400000000, 0.1501225700000000 ] - [ 0.0018416500000000, -0.0012519000000000, -0.0007600000000000 ] - [ 0.0030010700000000, -0.0015392300000000, -0.0019455700000000 ] - [ 0.0009127500000000, -0.0016288600000000, -0.0032628900000000 ] - [ 0.0052543100000000, -0.0001483800000000, -0.0032802900000000 ] - [ -0.0038218100000000, 0.0010506700000000, -0.0000846900000000 ] - [ 0.0042963800000000, -0.0014673500000000, 0.0013735100000000 ] - [ 0.0018573900000000, 0.0011165500000000, -0.0009587600000000 ] - [ 0.0032364200000000, 0.0029705400000000, -0.0015207100000000 ] - [ 0.0015746700000000, 0.0013851800000000, -0.0013319600000000 ] - [ 0.0023317100000000, 0.0010629500000000, -0.0013184600000000 ] - [ 0.0006668800000000, 0.0006003200000000, -0.0021614600000000 ] - [ 0.0025621400000000, -0.0014821800000000, -0.0008300000000000 ] - [ 0.0014777400000000, -0.0015919900000000, -0.0008961900000000 ] - [ 0.0021880000000000, -0.0016400800000000, -0.0012810300000000 ] - [ 0.0012991000000000, -0.0012805700000000, -0.0015191600000000 ] - [ 0.0024351400000000, -0.0022148500000000, -0.0013100200000000 ] - [ 0.0017265200000000, -0.0014313100000000, -0.0011582900000000 ] - [ 0.0045713100000000, 0.0000608900000000, -0.0024400000000000 ] - [ -0.0057519000000000, 0.0013381600000000, -0.0087989600000000 ] - [ 0.0027262000000000, -0.0000207600000000, -0.0065142600000000 ] - [ -0.0014257400000000, -0.0007220200000000, -0.0071148200000000 ] - [ -0.0275414500000000, -0.0024947200000000, 0.0018025700000000 ] - [ 0.0033012400000000, -0.0004647400000000, -0.0017328500000000 ] - [ -0.0001639800000000, -0.0107229300000000, 0.0051726900000000 ] - [ 0.0024162400000000, 0.0003540100000000, -0.0029205000000000 ] - [ 0.0041121100000000, -0.0008598400000000, -0.0050766000000000 ] - [ 0.0011597000000000, 0.0001311200000000, -0.0045022000000000 ] - [ 0.0034133100000000, 0.0024587300000000, -0.0033250300000000 ] - [ 0.0020773200000000, 0.0023018000000000, -0.0044796200000000 ] - [ 0.0033011500000000, -0.0015742800000000, -0.0035477200000000 ] - [ 0.0022490700000000, -0.0002087500000000, -0.0034368400000000 ] - [ 0.0032215500000000, -0.0007799000000000, -0.0038829500000000 ] - [ 0.0019645900000000, -0.0005032300000000, -0.0042483700000000 ] - [ 0.0025878100000000, -0.0018400400000000, -0.0017582400000000 ] - [ 0.0023667000000000, 0.0000602200000000, -0.0030631400000000 ] - [ 0.0030842700000000, 0.0003645500000000, -0.0009183800000000 ] - [ 0.0023385700000000, 0.0006806400000000, -0.0017244500000000 ] - [ 0.0031915200000000, 0.0000689600000000, -0.0038980000000000 ] - [ 0.0005612800000000, 0.0015419400000000, -0.0055574700000000 ] - [ 0.0032425800000000, -0.0034473900000000, -0.0069207000000000 ] - [ 0.0023996700000000, 0.0001060100000000, -0.0037760400000000 ]- atom: 7 displacement: [ 0.0054706835898182, 0.0000000000000000, -0.0083708793480789 ] forces: - [ -0.0005197100000000, 0.0046807200000000, 0.0029931800000000 ] - [ 0.0051903800000000, 0.0051725100000000, 0.0075407100000000 ] - [ -0.0004202800000000, 0.0058064500000000, 0.0007429500000000 ] - [ 0.0005423900000000, 0.0049318500000000, 0.0017158900000000 ] - [ -0.0003225300000000, 0.0048228900000000, 0.0016131800000000 ] - [ 0.0004860800000000, 0.0045638300000000, 0.0002627000000000 ] - [ -0.0058004200000000, 0.0145624200000000, 0.1380220700000000 ] - [ -0.0036656700000000, -0.0008599700000000, -0.0002822600000000 ] - [ -0.0022299600000000, -0.0008057000000000, -0.0012334500000000 ] - [ -0.0056660300000000, -0.0007372300000000, -0.0041025900000000 ] - [ -0.0037028500000000, -0.0005725900000000, -0.0021982300000000 ] - [ -0.0074728800000000, -0.0009445900000000, -0.0052876600000000 ] - [ 0.0005884200000000, 0.0018832300000000, 0.0056310600000000 ] - [ -0.0005351500000000, -0.0008020700000000, 0.0017443400000000 ] - [ -0.0001276800000000, -0.0006924700000000, 0.0013394300000000 ] - [ -0.0008545700000000, -0.0015624700000000, 0.0008390400000000 ] - [ -0.0000920200000000, 0.0003287600000000, 0.0005585300000000 ] - [ -0.0004927000000000, -0.0007494800000000, 0.0011638800000000 ] - [ -0.0044839200000000, 0.0002226300000000, -0.0012425100000000 ] - [ -0.0034251000000000, 0.0008712700000000, -0.0005817800000000 ] - [ -0.0040382300000000, 0.0007599900000000, -0.0019370800000000 ] - [ -0.0040740900000000, 0.0010796000000000, -0.0019600900000000 ] - [ -0.0035350700000000, 0.0009619700000000, -0.0006545200000000 ] - [ -0.0036581200000000, 0.0011443500000000, -0.0006937800000000 ] - [ 0.0005961900000000, -0.0078550000000000, 0.0017177200000000 ] - [ -0.0000620200000000, -0.0047114800000000, 0.0021722300000000 ] - [ 0.0005137700000000, -0.0053448800000000, 0.0013810200000000 ] - [ 0.0000154500000000, -0.0048769200000000, 0.0016919400000000 ] - [ -0.0007967600000000, -0.0048618000000000, 0.0035809200000000 ] - [ -0.0002157800000000, -0.0042704100000000, 0.0022778400000000 ] - [ 0.0005903800000000, -0.0002457100000000, 0.0017846600000000 ] - [ -0.0020897100000000, -0.0003799700000000, 0.0015356400000000 ] - [ 0.0002989800000000, 0.0001381800000000, 0.0016274800000000 ] - [ -0.0012579800000000, -0.0000874900000000, 0.0013494200000000 ] - [ 0.0014798600000000, -0.0000365600000000, 0.0028394700000000 ] - [ -0.0005987800000000, -0.0001582200000000, 0.0016936700000000 ] - [ -0.0053873900000000, -0.0228632300000000, 0.0031191300000000 ] - [ -0.0003684600000000, 0.0009667600000000, 0.0014397600000000 ] - [ -0.0000764400000000, 0.0006839800000000, 0.0010925300000000 ] - [ -0.0004431100000000, 0.0007758200000000, 0.0009552900000000 ] - [ 0.0009859700000000, 0.0027880000000000, 0.0006133600000000 ] - [ -0.0006089900000000, 0.0036243300000000, 0.0011859100000000 ] - [ -0.0157900100000000, -0.0005022100000000, 0.0139863200000000 ] - [ 0.0000894200000000, 0.0001992500000000, 0.0019506800000000 ] - [ -0.0011092100000000, 0.0001130900000000, -0.0007029600000000 ] - [ -0.0019871700000000, 0.0003094600000000, 0.0009128600000000 ] - [ 0.0024907600000000, 0.0006125700000000, 0.0010681600000000 ] - [ -0.0175993800000000, -0.0007151000000000, -0.0010420900000000 ] - [ -0.0005843700000000, 0.0010726100000000, 0.0032853500000000 ] - [ -0.0000615900000000, 0.0047995300000000, 0.0021936400000000 ] - [ 0.0003161200000000, 0.0044762800000000, 0.0017093200000000 ] - [ -0.0000530300000000, 0.0047456800000000, 0.0019813200000000 ] - [ 0.0001304400000000, 0.0052020700000000, 0.0020154600000000 ] - [ -0.0000176700000000, 0.0052915700000000, 0.0019276300000000 ] - [ -0.0037374100000000, -0.0009678300000000, -0.0007162600000000 ] - [ -0.0035042700000000, -0.0007991400000000, -0.0005623500000000 ] - [ -0.0039558500000000, -0.0009145100000000, -0.0014295600000000 ] - [ -0.0036670300000000, -0.0008827400000000, -0.0010886700000000 ] - [ -0.0036846200000000, -0.0008606300000000, -0.0011004800000000 ] - [ -0.0038180600000000, -0.0009091300000000, -0.0013380400000000 ] - [ -0.0000597200000000, -0.0030514500000000, 0.0012968200000000 ] - [ -0.0003582500000000, -0.0008974500000000, 0.0014426700000000 ] - [ -0.0000492800000000, -0.0006486600000000, 0.0011893800000000 ] - [ -0.0003653000000000, -0.0008945200000000, 0.0013386600000000 ] - [ -0.0001577200000000, -0.0012340700000000, 0.0012226400000000 ] - [ -0.0003954800000000, -0.0013478500000000, 0.0011510600000000 ] - [ -0.0025200600000000, 0.0017544400000000, -0.0001222400000000 ] - [ -0.0038507900000000, 0.0008903500000000, -0.0009902300000000 ] - [ -0.0033213700000000, 0.0008251000000000, -0.0009809200000000 ] - [ -0.0045602700000000, 0.0008489800000000, -0.0024857300000000 ] - [ -0.0024915200000000, -0.0010731900000000, -0.0001017000000000 ] - [ -0.0038331200000000, 0.0006385700000000, -0.0009775700000000 ] - [ -0.0007364900000000, -0.0034244000000000, 0.0027541400000000 ] - [ 0.0000183000000000, -0.0045931900000000, 0.0022486200000000 ] - [ 0.0000370600000000, -0.0050082800000000, 0.0013369800000000 ] - [ 0.0005584100000000, -0.0053229000000000, 0.0011942100000000 ] - [ -0.0000097200000000, -0.0049105000000000, 0.0021568600000000 ] - [ -0.0015386700000000, -0.0094580400000000, 0.0001616100000000 ] - [ -0.0010721500000000, 0.0015824400000000, 0.0007317000000000 ] - [ -0.0005602100000000, -0.0002214500000000, 0.0015869400000000 ] - [ -0.0002290300000000, -0.0001910100000000, 0.0014615100000000 ] - [ -0.0017987400000000, -0.0004951000000000, 0.0009176100000000 ] - [ 0.0009241300000000, -0.0000967600000000, 0.0019502000000000 ] - [ -0.0000054300000000, -0.0002030800000000, 0.0019575400000000 ] - [ -0.0002405400000000, 0.0005087800000000, 0.0016158900000000 ] - [ -0.0004401200000000, 0.0008771700000000, 0.0015773600000000 ] - [ -0.0002158900000000, 0.0005595800000000, 0.0012560100000000 ] - [ -0.0003657900000000, 0.0011262500000000, 0.0010637300000000 ] - [ -0.0004642800000000, -0.0006101600000000, 0.0016566900000000 ] - [ -0.0003707100000000, 0.0008320100000000, 0.0013871400000000 ] - [ 0.0004855500000000, 0.0001764400000000, 0.0019365900000000 ] - [ -0.0007706600000000, 0.0001633400000000, 0.0016778100000000 ] - [ -0.0000144300000000, 0.0001397500000000, 0.0016490200000000 ] - [ -0.0012097200000000, 0.0001347500000000, 0.0014503800000000 ] - [ 0.0003650400000000, -0.0000150700000000, 0.0018780600000000 ] - [ -0.0006074800000000, 0.0001699200000000, 0.0015921900000000 ] - [ 0.0004896400000000, 0.0004270400000000, -0.0013416000000000 ] - [ 0.0021042300000000, 0.0014137900000000, -0.0013758600000000 ] - [ 0.0011595800000000, 0.0012533200000000, -0.0010701400000000 ] - [ 0.0036625700000000, 0.0027076000000000, -0.0003087400000000 ] - [ 0.0014376000000000, -0.0003943800000000, -0.0001921300000000 ] - [ 0.0024836500000000, 0.0011252000000000, -0.0002744100000000 ] - [ -0.0026123500000000, 0.0006479700000000, -0.1473435600000000 ] - [ 0.0018974600000000, -0.0015206000000000, -0.0013173300000000 ] - [ 0.0007586600000000, -0.0012321100000000, -0.0001219300000000 ] - [ 0.0028299000000000, -0.0011490400000000, 0.0011744700000000 ] - [ -0.0015093000000000, -0.0026442300000000, 0.0012312600000000 ] - [ 0.0075340000000000, -0.0038175100000000, -0.0019941000000000 ] - [ -0.0005382500000000, 0.0042523100000000, -0.0034540700000000 ] - [ 0.0018783000000000, 0.0016555700000000, -0.0011164200000000 ] - [ 0.0005275600000000, -0.0001894800000000, -0.0005399900000000 ] - [ 0.0021692300000000, 0.0013893900000000, -0.0007443700000000 ] - [ 0.0014188000000000, 0.0017120800000000, -0.0007507200000000 ] - [ 0.0030740400000000, 0.0021724700000000, 0.0000811500000000 ] - [ 0.0011920600000000, -0.0012985000000000, -0.0012467500000000 ] - [ 0.0022691200000000, -0.0011812400000000, -0.0011754500000000 ] - [ 0.0015628400000000, -0.0011362600000000, -0.0007942800000000 ] - [ 0.0024477000000000, -0.0014917900000000, -0.0005552000000000 ] - [ 0.0013180300000000, -0.0005642400000000, -0.0007679100000000 ] - [ 0.0020201100000000, -0.0013419600000000, -0.0009152200000000 ] - [ 0.0005115800000000, -0.0004315900000000, -0.0040152100000000 ] - [ 0.0107935200000000, -0.0017127900000000, 0.0022569400000000 ] - [ 0.0023838500000000, -0.0003541700000000, 0.0000227400000000 ] - [ 0.0065175000000000, 0.0003316300000000, 0.0006107700000000 ] - [ 0.0327485100000000, 0.0020820200000000, -0.0086443500000000 ] - [ 0.0017753200000000, 0.0000788700000000, -0.0047620300000000 ] - [ 0.0052637300000000, 0.0110728800000000, -0.0116060900000000 ] - [ 0.0026722300000000, 0.0000334500000000, -0.0035672100000000 ] - [ 0.0009949600000000, 0.0012444300000000, -0.0014125900000000 ] - [ 0.0039275700000000, 0.0002520900000000, -0.0019886700000000 ] - [ 0.0016856900000000, -0.0020834000000000, -0.0031539300000000 ] - [ 0.0030114600000000, -0.0019097600000000, -0.0020163800000000 ] - [ 0.0018040700000000, 0.0011742800000000, -0.0029376700000000 ] - [ 0.0028417500000000, -0.0001798800000000, -0.0030497700000000 ] - [ 0.0018767100000000, 0.0003894700000000, -0.0026006100000000 ] - [ 0.0031268700000000, 0.0001127100000000, -0.0022438600000000 ] - [ 0.0025147000000000, 0.0014485200000000, -0.0047254500000000 ] - [ 0.0027239300000000, -0.0004509400000000, -0.0034262100000000 ] - [ 0.0020005600000000, -0.0000479000000000, -0.0055434300000000 ] - [ 0.0027523500000000, -0.0002823200000000, -0.0047546100000000 ] - [ 0.0019016500000000, 0.0003133700000000, -0.0025816100000000 ] - [ 0.0045319900000000, -0.0011350200000000, -0.0009386200000000 ] - [ 0.0018749600000000, 0.0038190600000000, 0.0004208500000000 ] - [ 0.0026912700000000, 0.0002867700000000, -0.0027126700000000 ]- atom: 13 displacement: [ 0.0099992567053987, 0.0000000000000000, 0.0001219234987175 ] forces: - [ 0.0002199600000000, 0.0048865100000000, 0.0019837300000000 ] - [ -0.0018558100000000, 0.0084597100000000, 0.0018569900000000 ] - [ -0.0000295600000000, 0.0045905500000000, 0.0024348400000000 ] - [ 0.0005652500000000, 0.0056888400000000, 0.0011144300000000 ] - [ 0.0000525800000000, 0.0048338200000000, 0.0021410200000000 ] - [ 0.0017297700000000, 0.0042710400000000, -0.0004535600000000 ] - [ -0.0023776300000000, -0.0033008400000000, -0.0012803100000000 ] - [ -0.0032099800000000, -0.0007491000000000, -0.0004054700000000 ] - [ -0.0044645400000000, -0.0008061000000000, -0.0017392400000000 ] - [ -0.0033884800000000, -0.0008359100000000, -0.0005635200000000 ] - [ -0.0034024800000000, -0.0007662600000000, -0.0010113900000000 ] - [ -0.0039011100000000, -0.0005834600000000, -0.0004660700000000 ] - [ -0.0430800000000000, -0.0199673700000000, 0.0184772700000000 ] - [ -0.0002112100000000, -0.0007255200000000, 0.0013917800000000 ] - [ -0.0003374100000000, -0.0005763800000000, 0.0012019800000000 ] - [ -0.0002556800000000, -0.0007939800000000, 0.0015859900000000 ] - [ -0.0003382700000000, -0.0003854600000000, 0.0012080900000000 ] - [ -0.0002555000000000, -0.0006468400000000, 0.0015288400000000 ] - [ -0.0032234500000000, 0.0009727200000000, -0.0003199500000000 ] - [ -0.0028457400000000, 0.0001034400000000, -0.0019566500000000 ] - [ -0.0035693800000000, 0.0008242100000000, -0.0007373600000000 ] - [ -0.0037203200000000, 0.0009147700000000, -0.0012773100000000 ] - [ -0.0033286700000000, 0.0008332800000000, -0.0006776600000000 ] - [ -0.0064577200000000, -0.0025992600000000, 0.0033105000000000 ] - [ -0.0002952900000000, -0.0040571800000000, 0.0029280600000000 ] - [ 0.0004202900000000, -0.0051737900000000, 0.0018132800000000 ] - [ 0.0000106200000000, -0.0048809300000000, 0.0018893500000000 ] - [ -0.0001872800000000, -0.0048378000000000, 0.0025087600000000 ] - [ 0.0003949400000000, -0.0048853000000000, 0.0017388900000000 ] - [ 0.0003954700000000, -0.0053908000000000, 0.0022118600000000 ] - [ -0.0010765400000000, -0.0003664200000000, 0.0009943600000000 ] - [ -0.0000229500000000, -0.0001334000000000, 0.0017669000000000 ] - [ -0.0002737600000000, -0.0001181300000000, 0.0015271700000000 ] - [ 0.0003389500000000, -0.0002390100000000, 0.0019272000000000 ] - [ 0.0027237000000000, 0.0197978700000000, 0.0030002200000000 ] - [ 0.0004690600000000, -0.0001961000000000, 0.0017495600000000 ] - [ 0.0014693100000000, 0.0010044600000000, 0.0025234500000000 ] - [ -0.0001210900000000, 0.0009258600000000, 0.0013167600000000 ] - [ -0.0003702100000000, 0.0008023000000000, 0.0013365700000000 ] - [ -0.0003719900000000, 0.0011875600000000, 0.0014653700000000 ] - [ -0.0001193000000000, 0.0009563000000000, 0.0012104100000000 ] - [ 0.0014266700000000, 0.0024602300000000, 0.0037458800000000 ] - [ 0.0010645500000000, 0.0000186400000000, 0.0018740200000000 ] - [ 0.0005161600000000, 0.0005171200000000, 0.0014858000000000 ] - [ -0.0007290300000000, 0.0002071900000000, 0.0017279100000000 ] - [ -0.0006717600000000, 0.0002700500000000, 0.0014692200000000 ] - [ 0.0002205600000000, 0.0001964600000000, 0.0016460800000000 ] - [ -0.0058822300000000, 0.0030582400000000, 0.0032227700000000 ] - [ 0.0008669400000000, 0.0057582500000000, 0.0023401800000000 ] - [ 0.0001790900000000, 0.0044730000000000, 0.0020546400000000 ] - [ -0.0002207100000000, 0.0046647300000000, 0.0021984100000000 ] - [ 0.0000533500000000, 0.0047831400000000, 0.0020602200000000 ] - [ 0.0001884700000000, 0.0048775200000000, 0.0018505600000000 ] - [ -0.0001243500000000, 0.0039140000000000, 0.0026221400000000 ] - [ -0.0033037500000000, -0.0008318400000000, -0.0006734000000000 ] - [ -0.0033360500000000, -0.0015100700000000, -0.0010559200000000 ] - [ -0.0036997500000000, -0.0008338700000000, -0.0008839300000000 ] - [ -0.0036133900000000, -0.0009372800000000, -0.0011125800000000 ] - [ -0.0035112400000000, -0.0008640300000000, -0.0007993800000000 ] - [ -0.0040546400000000, -0.0011320200000000, -0.0015310300000000 ] - [ -0.0002340100000000, -0.0011121000000000, 0.0013624200000000 ] - [ -0.0002331700000000, -0.0012076400000000, 0.0013249600000000 ] - [ -0.0004489000000000, -0.0008895200000000, 0.0014659000000000 ] - [ -0.0002581400000000, -0.0010694500000000, 0.0013196400000000 ] - [ -0.0002577900000000, -0.0008771700000000, 0.0013042300000000 ] - [ -0.0004483800000000, -0.0012657600000000, 0.0014413300000000 ] - [ -0.0039400400000000, 0.0007713700000000, -0.0009656700000000 ] - [ -0.0034393000000000, 0.0008587100000000, -0.0007464300000000 ] - [ -0.0036470800000000, 0.0008342400000000, -0.0010650500000000 ] - [ -0.0037808300000000, 0.0008392400000000, -0.0009711800000000 ] - [ -0.0031651300000000, 0.0006743700000000, -0.0007260600000000 ] - [ -0.0035609100000000, 0.0008661900000000, -0.0007463800000000 ] - [ 0.0001231600000000, -0.0048997800000000, 0.0021388000000000 ] - [ -0.0002568200000000, -0.0035491500000000, 0.0024378600000000 ] - [ -0.0000859000000000, -0.0045777700000000, 0.0023094300000000 ] - [ 0.0005736900000000, -0.0049506700000000, 0.0011866000000000 ] - [ 0.0001077100000000, -0.0047466900000000, 0.0020560600000000 ] - [ 0.0010029400000000, -0.0121571600000000, 0.0010287000000000 ] - [ -0.0005166600000000, -0.0002991300000000, 0.0018196800000000 ] - [ -0.0003147300000000, -0.0001685500000000, 0.0015798700000000 ] - [ -0.0002500700000000, -0.0001780800000000, 0.0016681100000000 ] - [ -0.0013780000000000, -0.0002996100000000, 0.0013337500000000 ] - [ 0.0001932900000000, -0.0002062400000000, 0.0016817400000000 ] - [ -0.0007653100000000, -0.0001477600000000, 0.0016973200000000 ] - [ -0.0004780300000000, 0.0002612300000000, 0.0015017500000000 ] - [ -0.0002725500000000, 0.0008384600000000, 0.0014366100000000 ] - [ -0.0001979500000000, 0.0007716900000000, 0.0011498100000000 ] - [ -0.0003726000000000, 0.0007364800000000, 0.0015116400000000 ] - [ -0.0004757300000000, -0.0003498100000000, 0.0015041400000000 ] - [ -0.0002720500000000, 0.0007338800000000, 0.0014040300000000 ] - [ -0.0012502600000000, -0.0005814700000000, 0.0011714000000000 ] - [ -0.0000167600000000, 0.0001431700000000, 0.0017064400000000 ] - [ -0.0003809600000000, 0.0001033700000000, 0.0015404400000000 ] - [ -0.0003989900000000, 0.0001374500000000, 0.0017697700000000 ] - [ -0.0005120200000000, 0.0003083200000000, 0.0015383300000000 ] - [ 0.0000528800000000, 0.0001162700000000, 0.0017555100000000 ] - [ 0.0335338100000000, 0.0125633900000000, -0.0109087800000000 ] - [ 0.0012852800000000, 0.0012618700000000, -0.0010491900000000 ] - [ 0.0020510900000000, 0.0013333200000000, 0.0003172600000000 ] - [ 0.0015141400000000, 0.0012503100000000, -0.0015082100000000 ] - [ 0.0019657500000000, 0.0009446500000000, -0.0006260700000000 ] - [ 0.0013672000000000, 0.0013380700000000, -0.0011504900000000 ] - [ -0.0002531700000000, 0.0004480100000000, -0.0031972400000000 ] - [ 0.0009729000000000, -0.0015309100000000, -0.0011391200000000 ] - [ 0.0020291900000000, -0.0014231900000000, -0.0006337500000000 ] - [ 0.0022073600000000, -0.0017046200000000, -0.0012334000000000 ] - [ 0.0012179200000000, -0.0013958300000000, -0.0007879800000000 ] - [ 0.0012088400000000, -0.0049945900000000, -0.0034867400000000 ] - [ 0.0012076700000000, 0.0018406200000000, -0.0013065700000000 ] - [ 0.0019535700000000, 0.0014889200000000, -0.0012291500000000 ] - [ 0.0020856100000000, 0.0015622400000000, -0.0011276900000000 ] - [ 0.0017494400000000, 0.0014973000000000, -0.0010231900000000 ] - [ 0.0016869300000000, 0.0013902400000000, -0.0008446000000000 ] - [ 0.0027256900000000, 0.0015586600000000, -0.0011660700000000 ] - [ 0.0017406400000000, -0.0003025100000000, -0.0002832400000000 ] - [ 0.0015050500000000, -0.0013685800000000, -0.0012350100000000 ] - [ 0.0018130200000000, -0.0011850400000000, -0.0007297200000000 ] - [ 0.0017834300000000, -0.0012496200000000, -0.0012001800000000 ] - [ 0.0026282200000000, -0.0008487300000000, -0.0004468700000000 ] - [ 0.0015030000000000, -0.0012554500000000, -0.0010394000000000 ] - [ 0.0031028600000000, -0.0023747600000000, -0.0012802400000000 ] - [ 0.0014398700000000, -0.0000015900000000, -0.0040651200000000 ] - [ 0.0016105200000000, -0.0009210100000000, -0.0013696900000000 ] - [ 0.0023499900000000, -0.0005886300000000, -0.0037843900000000 ] - [ 0.0216314300000000, -0.0047542300000000, -0.0103496700000000 ] - [ 0.0016449100000000, -0.0003522900000000, -0.0035082100000000 ] - [ -0.0023867200000000, -0.0007816100000000, -0.0059175100000000 ] - [ 0.0003653300000000, 0.0007113000000000, -0.0034639100000000 ] - [ 0.0035549400000000, 0.0002934700000000, -0.0030928800000000 ] - [ 0.0024345700000000, -0.0001353800000000, -0.0032677200000000 ] - [ 0.0019324500000000, 0.0000842800000000, -0.0027829200000000 ] - [ 0.0002701800000000, 0.0020931700000000, -0.0065647000000000 ] - [ 0.0038137600000000, -0.0007688200000000, -0.0033785400000000 ] - [ 0.0020804400000000, 0.0003234900000000, -0.0030260000000000 ] - [ 0.0023617800000000, -0.0000650900000000, -0.0030067800000000 ] - [ 0.0030626400000000, 0.0004274400000000, -0.0035480500000000 ] - [ 0.0016215000000000, -0.0003382900000000, -0.0025887000000000 ] - [ 0.0018256000000000, 0.0007178900000000, -0.0035191300000000 ] - [ 0.0039499700000000, 0.0004640200000000, -0.0046646500000000 ] - [ 0.0018511300000000, 0.0001386900000000, -0.0033965700000000 ] - [ 0.0021618100000000, -0.0003132200000000, -0.0024443100000000 ] - [ 0.0026630700000000, 0.0003932100000000, -0.0035983700000000 ] - [ 0.0013772400000000, 0.0017203000000000, -0.0003575800000000 ] - [ 0.0022860800000000, 0.0002209000000000, -0.0034112100000000 ]- atom: 13 displacement: [ -0.0099992567053987, 0.0000000000000000, -0.0001219234987175 ] forces: - [ -0.0002357300000000, 0.0046336400000000, 0.0022564500000000 ] - [ 0.0018485400000000, 0.0010322600000000, 0.0024093100000000 ] - [ 0.0000150500000000, 0.0049296500000000, 0.0018057000000000 ] - [ -0.0005892700000000, 0.0038203300000000, 0.0031389700000000 ] - [ -0.0000683900000000, 0.0046861400000000, 0.0020992600000000 ] - [ -0.0017568900000000, 0.0052571700000000, 0.0047141300000000 ] - [ -0.0048908700000000, 0.0015503100000000, -0.0005943500000000 ] - [ -0.0040956600000000, -0.0009381300000000, -0.0014459200000000 ] - [ -0.0028323700000000, -0.0008809400000000, -0.0000996700000000 ] - [ -0.0039126300000000, -0.0008503100000000, -0.0012813700000000 ] - [ -0.0039028800000000, -0.0009208000000000, -0.0008386100000000 ] - [ -0.0034072200000000, -0.0011057300000000, -0.0013917800000000 ] - [ 0.0427997300000000, 0.0191915600000000, -0.0157896900000000 ] - [ -0.0004668500000000, -0.0010052300000000, 0.0014311200000000 ] - [ -0.0003411600000000, -0.0011533600000000, 0.0016229600000000 ] - [ -0.0004213300000000, -0.0009340800000000, 0.0012377100000000 ] - [ -0.0003418900000000, -0.0013464000000000, 0.0016165300000000 ] - [ -0.0004225200000000, -0.0010791700000000, 0.0012940700000000 ] - [ -0.0040817000000000, 0.0007160500000000, -0.0015350600000000 ] - [ -0.0044642100000000, 0.0015950100000000, 0.0001187400000000 ] - [ -0.0037282800000000, 0.0008635400000000, -0.0011053100000000 ] - [ -0.0035825200000000, 0.0007724500000000, -0.0005677000000000 ] - [ -0.0039754600000000, 0.0008542200000000, -0.0011727200000000 ] - [ -0.0007486900000000, 0.0042644000000000, -0.0050395500000000 ] - [ 0.0002798400000000, -0.0054624100000000, 0.0013103000000000 ] - [ -0.0004383400000000, -0.0043445700000000, 0.0024289300000000 ] - [ -0.0000255700000000, -0.0046388200000000, 0.0023520100000000 ] - [ 0.0001708200000000, -0.0046827500000000, 0.0017352700000000 ] - [ -0.0004101600000000, -0.0046351600000000, 0.0025018400000000 ] - [ -0.0003991000000000, -0.0041337400000000, 0.0020214500000000 ] - [ 0.0002346300000000, 0.0000097200000000, 0.0023491100000000 ] - [ -0.0008268700000000, -0.0002261200000000, 0.0015781500000000 ] - [ -0.0005817000000000, -0.0002416100000000, 0.0018186200000000 ] - [ -0.0011657500000000, -0.0001203400000000, 0.0014206000000000 ] - [ -0.0034524500000000, -0.0198907900000000, 0.0002690800000000 ] - [ -0.0013229000000000, -0.0001632300000000, 0.0015945300000000 ] - [ -0.0021170900000000, 0.0007334100000000, 0.0003134200000000 ] - [ -0.0005575000000000, 0.0008096100000000, 0.0015057100000000 ] - [ -0.0003068600000000, 0.0009333400000000, 0.0014866000000000 ] - [ -0.0003054900000000, 0.0005472100000000, 0.0013585900000000 ] - [ -0.0005582900000000, 0.0007767800000000, 0.0016116400000000 ] - [ -0.0021292900000000, -0.0007217300000000, -0.0009561200000000 ] - [ -0.0019069200000000, 0.0003419400000000, 0.0014720900000000 ] - [ -0.0013767000000000, -0.0001589100000000, 0.0018601500000000 ] - [ -0.0001191100000000, 0.0001530700000000, 0.0016184300000000 ] - [ -0.0001768200000000, 0.0000904300000000, 0.0018776700000000 ] - [ -0.0010726600000000, 0.0001641900000000, 0.0016986400000000 ] - [ 0.0050083800000000, -0.0027153500000000, 0.0000818100000000 ] - [ -0.0008800700000000, 0.0037666300000000, 0.0018998800000000 ] - [ -0.0001917400000000, 0.0050516700000000, 0.0021816300000000 ] - [ 0.0002061800000000, 0.0048580900000000, 0.0020406500000000 ] - [ -0.0000700500000000, 0.0047371300000000, 0.0021823900000000 ] - [ -0.0002040600000000, 0.0046434100000000, 0.0023899300000000 ] - [ 0.0001145200000000, 0.0056007000000000, 0.0016263200000000 ] - [ -0.0040000100000000, -0.0008551200000000, -0.0011762100000000 ] - [ -0.0039623400000000, -0.0001855800000000, -0.0007988900000000 ] - [ -0.0036021000000000, -0.0008531900000000, -0.0009636700000000 ] - [ -0.0036898200000000, -0.0007492800000000, -0.0007350300000000 ] - [ -0.0037907100000000, -0.0008230500000000, -0.0010483400000000 ] - [ -0.0032488800000000, -0.0005570600000000, -0.0003161700000000 ] - [ -0.0004435900000000, -0.0006216300000000, 0.0014590700000000 ] - [ -0.0004436500000000, -0.0005291200000000, 0.0014964600000000 ] - [ -0.0002282500000000, -0.0008456100000000, 0.0013568200000000 ] - [ -0.0004200500000000, -0.0006633400000000, 0.0015038900000000 ] - [ -0.0004200700000000, -0.0008554700000000, 0.0015189300000000 ] - [ -0.0002283100000000, -0.0004697900000000, 0.0013809800000000 ] - [ -0.0033589600000000, 0.0009143600000000, -0.0008777300000000 ] - [ -0.0038637100000000, 0.0008279000000000, -0.0011013300000000 ] - [ -0.0036557900000000, 0.0008525400000000, -0.0007819000000000 ] - [ -0.0035198000000000, 0.0008472000000000, -0.0008742900000000 ] - [ -0.0041406900000000, 0.0010123400000000, -0.0011266100000000 ] - [ -0.0037424900000000, 0.0008200200000000, -0.0011026300000000 ] - [ -0.0001381200000000, -0.0046217200000000, 0.0021013800000000 ] - [ 0.0002386300000000, -0.0059836500000000, 0.0018042400000000 ] - [ 0.0000711400000000, -0.0049444100000000, 0.0019303000000000 ] - [ -0.0005945400000000, -0.0045686200000000, 0.0030617400000000 ] - [ -0.0001232100000000, -0.0047747700000000, 0.0021841100000000 ] - [ -0.0010087500000000, 0.0026495200000000, 0.0032121500000000 ] - [ -0.0003304600000000, -0.0000615900000000, 0.0015259600000000 ] - [ -0.0005368700000000, -0.0001919100000000, 0.0017658200000000 ] - [ -0.0006003600000000, -0.0001823000000000, 0.0016771900000000 ] - [ 0.0005320100000000, -0.0000608000000000, 0.0020127200000000 ] - [ -0.0010440800000000, -0.0001542700000000, 0.0016624700000000 ] - [ -0.0000896000000000, -0.0002128900000000, 0.0016464000000000 ] - [ -0.0002039600000000, 0.0014531700000000, 0.0013266600000000 ] - [ -0.0004053000000000, 0.0008920300000000, 0.0013864200000000 ] - [ -0.0004811500000000, 0.0009588000000000, 0.0016751800000000 ] - [ -0.0003047500000000, 0.0009927400000000, 0.0013115700000000 ] - [ -0.0002015700000000, 0.0020845700000000, 0.0013178000000000 ] - [ -0.0004055800000000, 0.0009963300000000, 0.0014189700000000 ] - [ 0.0004017600000000, 0.0009372800000000, 0.0021698900000000 ] - [ -0.0008336900000000, 0.0002172300000000, 0.0016385600000000 ] - [ -0.0004691800000000, 0.0002573100000000, 0.0018050500000000 ] - [ -0.0004469100000000, 0.0002221800000000, 0.0015769400000000 ] - [ -0.0003433700000000, 0.0000523300000000, 0.0018066500000000 ] - [ -0.0008993700000000, 0.0002436700000000, 0.0015893100000000 ] - [ -0.0302243000000000, -0.0108600900000000, 0.0089767400000000 ] - [ 0.0024656400000000, 0.0015106900000000, -0.0010241000000000 ] - [ 0.0016925800000000, 0.0014366800000000, -0.0023981000000000 ] - [ 0.0022331800000000, 0.0015189500000000, -0.0005639400000000 ] - [ 0.0017904800000000, 0.0018289700000000, -0.0014538000000000 ] - [ 0.0023730300000000, 0.0014288700000000, -0.0009213500000000 ] - [ 0.0039840200000000, -0.0032156400000000, 0.0010996100000000 ] - [ 0.0027845900000000, -0.0012437600000000, -0.0009348600000000 ] - [ 0.0017188300000000, -0.0013522200000000, -0.0014462700000000 ] - [ 0.0015392200000000, -0.0010717400000000, -0.0008416600000000 ] - [ 0.0025326500000000, -0.0013782100000000, -0.0012827500000000 ] - [ 0.0025537800000000, 0.0022355400000000, 0.0014206500000000 ] - [ 0.0025417800000000, 0.0009363900000000, -0.0007621800000000 ] - [ 0.0017999600000000, 0.0012892200000000, -0.0008449900000000 ] - [ 0.0016614000000000, 0.0012142600000000, -0.0009506100000000 ] - [ 0.0020010600000000, 0.0012772300000000, -0.0010520600000000 ] - [ 0.0020632100000000, 0.0013841200000000, -0.0012302000000000 ] - [ 0.0010192900000000, 0.0012190300000000, -0.0009084100000000 ] - [ 0.0020033900000000, -0.0024590200000000, -0.0017760200000000 ] - [ 0.0022445200000000, -0.0014034400000000, -0.0008383100000000 ] - [ 0.0019372800000000, -0.0015879600000000, -0.0013455400000000 ] - [ 0.0019622400000000, -0.0015211700000000, -0.0008739300000000 ] - [ 0.0011268800000000, -0.0019207800000000, -0.0016268000000000 ] - [ 0.0022442800000000, -0.0015164200000000, -0.0010336900000000 ] - [ 0.0020033100000000, 0.0020058300000000, -0.0052273700000000 ] - [ 0.0036507200000000, -0.0003874500000000, -0.0024253300000000 ] - [ 0.0034973200000000, 0.0005368100000000, -0.0051321800000000 ] - [ 0.0027496900000000, 0.0001993400000000, -0.0027007300000000 ] - [ -0.0166850100000000, 0.0043072800000000, 0.0038871000000000 ] - [ 0.0034554300000000, -0.0000358100000000, -0.0029760000000000 ] - [ 0.0074898700000000, 0.0011564100000000, -0.0005494900000000 ] - [ 0.0047445700000000, -0.0003354600000000, -0.0030160800000000 ] - [ 0.0015345500000000, 0.0000894700000000, -0.0033975300000000 ] - [ 0.0026631900000000, 0.0005226400000000, -0.0032241100000000 ] - [ 0.0031677700000000, 0.0003030700000000, -0.0037019800000000 ] - [ 0.0047313600000000, -0.0017309600000000, 0.0000519500000000 ] - [ 0.0012830000000000, 0.0003828100000000, -0.0031031300000000 ] - [ 0.0030174600000000, -0.0007124400000000, -0.0034611600000000 ] - [ 0.0027338400000000, -0.0003229700000000, -0.0034801400000000 ] - [ 0.0020339100000000, -0.0008084600000000, -0.0029483000000000 ] - [ 0.0034789600000000, -0.0000491000000000, -0.0038945000000000 ] - [ 0.0032589000000000, -0.0010974500000000, -0.0029628100000000 ] - [ 0.0011500800000000, -0.0000636500000000, -0.0018198200000000 ] - [ 0.0032458600000000, 0.0002517800000000, -0.0030894500000000 ] - [ 0.0029397800000000, 0.0007098200000000, -0.0040495600000000 ] - [ 0.0024294700000000, -0.0000016300000000, -0.0028896700000000 ] - [ 0.0037267700000000, -0.0013400200000000, -0.0061357700000000 ] - [ 0.0028110400000000, 0.0001698900000000, -0.0030747200000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000386100000000, 0.0047987900000000, 0.0020794000000000 ] - [ 0.0030287300000000, 0.0346090200000000, -0.0025405500000000 ] - [ -0.0000676200000000, 0.0047884300000000, 0.0019311000000000 ] - [ 0.0008331200000000, 0.0058960300000000, 0.0008461400000000 ] - [ 0.0002111300000000, 0.0048027900000000, 0.0020392600000000 ] - [ -0.0054600700000000, 0.0069472700000000, 0.0104659600000000 ] - [ -0.0098283600000000, -0.0002594000000000, -0.0082646700000000 ] - [ -0.0031013800000000, -0.0009980800000000, -0.0006369800000000 ] - [ -0.0047611900000000, -0.0010334900000000, -0.0030900500000000 ] - [ -0.0036989400000000, -0.0011278400000000, -0.0010939600000000 ] - [ -0.0047411200000000, -0.0013274900000000, -0.0018504500000000 ] - [ -0.0018859700000000, -0.0012442400000000, 0.0010727500000000 ] - [ -0.0214278700000000, -0.2759240800000000, 0.0330624000000000 ] - [ -0.0001961000000000, -0.0017532200000000, 0.0012427200000000 ] - [ 0.0001519300000000, -0.0047171400000000, 0.0006426100000000 ] - [ -0.0001196600000000, -0.0030681900000000, 0.0011511000000000 ] - [ -0.0000437700000000, -0.0047239300000000, 0.0009745400000000 ] - [ -0.0002658200000000, -0.0030670400000000, 0.0011680500000000 ] - [ -0.0001370400000000, 0.0007302700000000, 0.0046781700000000 ] - [ -0.0048181600000000, 0.0004761100000000, 0.0005829900000000 ] - [ -0.0047889600000000, 0.0007119600000000, -0.0017829800000000 ] - [ -0.0031787500000000, 0.0003164200000000, -0.0008355100000000 ] - [ -0.0035370400000000, 0.0006765400000000, -0.0007281100000000 ] - [ -0.0152203900000000, 0.0016761000000000, -0.0370632000000000 ] - [ 0.0003918500000000, -0.0028051600000000, 0.0052159800000000 ] - [ -0.0002861000000000, -0.0044313000000000, 0.0023054400000000 ] - [ -0.0002978500000000, -0.0043299000000000, 0.0025846000000000 ] - [ 0.0005808400000000, -0.0043370300000000, 0.0010743200000000 ] - [ 0.0008686700000000, -0.0044176400000000, 0.0011256100000000 ] - [ -0.0030641800000000, -0.0028036400000000, 0.0031125600000000 ] - [ -0.0019414800000000, -0.0005376000000000, 0.0032455500000000 ] - [ 0.0011094400000000, -0.0003279400000000, 0.0021368800000000 ] - [ -0.0001017600000000, -0.0007090800000000, 0.0013904400000000 ] - [ -0.0071102700000000, -0.0002966900000000, 0.0008711700000000 ] - [ 0.0372625000000000, 0.0005353900000000, -0.0022590600000000 ] - [ -0.0008178300000000, -0.0003309200000000, 0.0017255200000000 ] - [ -0.0019624200000000, -0.0058470900000000, 0.0022710900000000 ] - [ -0.0004306400000000, -0.0008722300000000, 0.0017329200000000 ] - [ -0.0006631600000000, -0.0010753800000000, 0.0016824100000000 ] - [ -0.0002739000000000, -0.0010752200000000, 0.0015047700000000 ] - [ -0.0003955500000000, -0.0008720900000000, 0.0013633300000000 ] - [ -0.0004880700000000, -0.0058471800000000, 0.0032732500000000 ] - [ -0.0029965100000000, -0.0002246000000000, 0.0008424600000000 ] - [ 0.0021022100000000, 0.0000001400000000, 0.0018676300000000 ] - [ -0.0003858500000000, -0.0000031600000000, 0.0013314300000000 ] - [ 0.0007723400000000, -0.0003320400000000, 0.0022701200000000 ] - [ -0.0007305700000000, -0.0000746900000000, 0.0016075700000000 ] - [ 0.0087458500000000, 0.0008045900000000, 0.0044188000000000 ] - [ 0.0017835900000000, 0.0070966300000000, 0.0016072800000000 ] - [ -0.0007634400000000, 0.0046708500000000, 0.0028465200000000 ] - [ -0.0003857900000000, 0.0047700900000000, 0.0030618700000000 ] - [ 0.0002771800000000, 0.0050374900000000, 0.0018223700000000 ] - [ 0.0000814000000000, 0.0049015200000000, 0.0018636800000000 ] - [ -0.0002924300000000, 0.0070561200000000, 0.0003868200000000 ] - [ -0.0030720100000000, -0.0005267500000000, -0.0005056600000000 ] - [ -0.0054219400000000, 0.0023252800000000, 0.0005335000000000 ] - [ -0.0032176000000000, -0.0004974600000000, -0.0000634500000000 ] - [ -0.0034191300000000, -0.0005595200000000, -0.0003331800000000 ] - [ -0.0038901200000000, -0.0006463200000000, -0.0010467700000000 ] - [ -0.0029204600000000, 0.0004237700000000, -0.0007067000000000 ] - [ -0.0006799500000000, 0.0015985400000000, 0.0015783400000000 ] - [ -0.0005919800000000, 0.0015973300000000, 0.0019506500000000 ] - [ -0.0007424500000000, 0.0016745400000000, 0.0018643400000000 ] - [ -0.0003515500000000, 0.0001967200000000, 0.0016195700000000 ] - [ -0.0005429700000000, 0.0001967100000000, 0.0015296700000000 ] - [ -0.0003660300000000, 0.0016757900000000, 0.0018300500000000 ] - [ -0.0052114200000000, 0.0014891300000000, -0.0037100100000000 ] - [ -0.0035600100000000, 0.0009849500000000, -0.0009042600000000 ] - [ -0.0041989900000000, 0.0010547400000000, -0.0016513100000000 ] - [ -0.0032272300000000, 0.0010697500000000, -0.0003340100000000 ] - [ -0.0056368000000000, 0.0015705700000000, -0.0026571700000000 ] - [ -0.0030979100000000, 0.0011304200000000, -0.0005478400000000 ] - [ -0.0000566800000000, -0.0048824900000000, 0.0020444800000000 ] - [ 0.0012698300000000, -0.0036607200000000, 0.0001594100000000 ] - [ 0.0000680300000000, -0.0048301100000000, 0.0020706000000000 ] - [ -0.0008799300000000, -0.0044863900000000, 0.0034518600000000 ] - [ 0.0000731600000000, -0.0047929400000000, 0.0020783000000000 ] - [ -0.0026166800000000, 0.0165278800000000, 0.0061491100000000 ] - [ -0.0008241600000000, 0.0001178900000000, 0.0013431200000000 ] - [ 0.0004443300000000, 0.0000329000000000, 0.0018802900000000 ] - [ -0.0005089000000000, -0.0000326400000000, 0.0015871200000000 ] - [ 0.0019501300000000, 0.0005543500000000, 0.0027826400000000 ] - [ -0.0012636600000000, 0.0000280200000000, 0.0015101500000000 ] - [ 0.0027831200000000, 0.0004664100000000, 0.0019982800000000 ] - [ 0.0008980700000000, 0.0078815300000000, -0.0004822100000000 ] - [ -0.0002048600000000, 0.0017902700000000, 0.0012407700000000 ] - [ -0.0002428600000000, 0.0027546600000000, 0.0012633100000000 ] - [ -0.0002086200000000, 0.0021650400000000, 0.0012506000000000 ] - [ 0.0002693200000000, 0.0078990700000000, 0.0004847800000000 ] - [ -0.0003104900000000, 0.0017899100000000, 0.0012928600000000 ] - [ -0.0011883600000000, 0.0033552200000000, 0.0038380900000000 ] - [ -0.0002188800000000, 0.0003462000000000, 0.0016943100000000 ] - [ -0.0011067400000000, 0.0004614500000000, 0.0017024800000000 ] - [ -0.0007244700000000, 0.0005593200000000, 0.0014614000000000 ] - [ -0.0007300400000000, 0.0014335000000000, 0.0011216900000000 ] - [ -0.0017030400000000, 0.0004942900000000, 0.0016178200000000 ] - [ 0.0018589200000000, 0.2494786900000000, -0.0003074900000000 ] - [ 0.0018841400000000, 0.0021087300000000, -0.0012061700000000 ] - [ 0.0033137900000000, 0.0038213800000000, -0.0030141200000000 ] - [ 0.0014074400000000, 0.0034069000000000, -0.0033353000000000 ] - [ 0.0003264000000000, 0.0043303400000000, 0.0010980100000000 ] - [ 0.0045094400000000, 0.0034106000000000, -0.0018940800000000 ] - [ 0.0055142600000000, 0.0023308000000000, 0.0053440700000000 ] - [ 0.0001699300000000, -0.0001149700000000, -0.0007791400000000 ] - [ 0.0021764300000000, 0.0000831200000000, 0.0007142600000000 ] - [ 0.0007555600000000, 0.0005701400000000, -0.0014703600000000 ] - [ 0.0028496900000000, 0.0003510000000000, -0.0002635300000000 ] - [ -0.0054488300000000, 0.0022792600000000, -0.0018154700000000 ] - [ 0.0033328000000000, -0.0007582200000000, 0.0007917900000000 ] - [ -0.0005753500000000, -0.0004216400000000, -0.0006210000000000 ] - [ 0.0024208400000000, -0.0005034300000000, 0.0013920800000000 ] - [ 0.0011642500000000, 0.0005433300000000, -0.0011138000000000 ] - [ 0.0022436300000000, 0.0005548500000000, -0.0004094600000000 ] - [ -0.0004057400000000, -0.0008212700000000, -0.0015877200000000 ] - [ 0.0050392400000000, -0.0073251500000000, -0.0057992200000000 ] - [ 0.0015509200000000, -0.0023538200000000, -0.0014104600000000 ] - [ 0.0022147000000000, -0.0028858300000000, -0.0015547200000000 ] - [ 0.0022572900000000, -0.0026649900000000, -0.0016088100000000 ] - [ 0.0014075600000000, -0.0081005100000000, -0.0004335800000000 ] - [ 0.0026129200000000, -0.0022002000000000, -0.0013139200000000 ] - [ -0.0013538700000000, 0.0019525900000000, 0.0026962700000000 ] - [ 0.0032788600000000, 0.0011962300000000, -0.0018583300000000 ] - [ 0.0045567000000000, 0.0046727100000000, -0.0062710700000000 ] - [ 0.0011600400000000, 0.0011896300000000, -0.0032261200000000 ] - [ 0.0039087600000000, -0.0251809900000000, -0.0053609500000000 ] - [ 0.0021846600000000, 0.0005340500000000, -0.0031101200000000 ] - [ -0.0139257000000000, 0.0026214200000000, -0.0187189200000000 ] - [ 0.0044924900000000, 0.0020998100000000, -0.0041980600000000 ] - [ 0.0036963000000000, 0.0020100300000000, -0.0049735300000000 ] - [ 0.0014560800000000, 0.0012403900000000, -0.0032372100000000 ] - [ 0.0020683100000000, 0.0013763600000000, -0.0028069800000000 ] - [ 0.0234200400000000, 0.0027158500000000, 0.0054728700000000 ] - [ 0.0016068300000000, -0.0044199000000000, -0.0063654500000000 ] - [ 0.0023479400000000, -0.0014712000000000, -0.0038239100000000 ] - [ 0.0033620800000000, -0.0015437400000000, -0.0034360400000000 ] - [ 0.0018186300000000, -0.0034940300000000, -0.0016979700000000 ] - [ 0.0010881400000000, -0.0033698200000000, -0.0020322700000000 ] - [ 0.0060530900000000, -0.0043610100000000, -0.0035961600000000 ] - [ -0.0019961900000000, -0.0127425800000000, 0.0037134800000000 ] - [ 0.0027487900000000, -0.0004967200000000, -0.0027658700000000 ] - [ 0.0021944300000000, -0.0022527500000000, -0.0026805900000000 ] - [ 0.0022527600000000, -0.0008021100000000, -0.0029244100000000 ] - [ 0.0065523700000000, -0.0072188900000000, -0.0093678000000000 ] - [ 0.0020557600000000, -0.0006130400000000, -0.0031537700000000 ]- atom: 13 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000516300000000, 0.0047241700000000, 0.0021590000000000 ] - [ -0.0030934300000000, -0.0257504500000000, 0.0068560000000000 ] - [ 0.0000523900000000, 0.0047327800000000, 0.0023091300000000 ] - [ -0.0008425900000000, 0.0036475900000000, 0.0033849800000000 ] - [ -0.0002269300000000, 0.0047193700000000, 0.0022000900000000 ] - [ 0.0054506600000000, 0.0025800100000000, -0.0062345200000000 ] - [ 0.0025442600000000, -0.0014428400000000, 0.0063915800000000 ] - [ -0.0041940900000000, -0.0006873000000000, -0.0012022800000000 ] - [ -0.0025510900000000, -0.0006457000000000, 0.0012186400000000 ] - [ -0.0036026000000000, -0.0005596500000000, -0.0007557000000000 ] - [ -0.0025604600000000, -0.0003600600000000, 0.0000001400000000 ] - [ -0.0054215500000000, -0.0004371300000000, -0.0029170100000000 ] - [ 0.0185062400000000, 0.2598809400000000, -0.0268447900000000 ] - [ -0.0004800100000000, 0.0000220000000000, 0.0015796000000000 ] - [ -0.0008277900000000, 0.0029925100000000, 0.0021773900000000 ] - [ -0.0005584900000000, 0.0013281500000000, 0.0016708600000000 ] - [ -0.0006314700000000, 0.0029861300000000, 0.0018448200000000 ] - [ -0.0004120000000000, 0.0013292700000000, 0.0016548800000000 ] - [ -0.0071451300000000, 0.0009581700000000, -0.0064974100000000 ] - [ -0.0024582000000000, 0.0011918800000000, -0.0024434500000000 ] - [ -0.0025291000000000, 0.0009744200000000, -0.0000844400000000 ] - [ -0.0041218000000000, 0.0013697600000000, -0.0010177300000000 ] - [ -0.0037614900000000, 0.0010099200000000, -0.0011163000000000 ] - [ 0.0077646800000000, 0.0000098700000000, 0.0348887100000000 ] - [ -0.0004172900000000, -0.0067138000000000, -0.0009628700000000 ] - [ 0.0002794300000000, -0.0050973400000000, 0.0019304800000000 ] - [ 0.0002816200000000, -0.0051980400000000, 0.0016471300000000 ] - [ -0.0005952100000000, -0.0051838400000000, 0.0031620100000000 ] - [ -0.0008791300000000, -0.0051040800000000, 0.0031115200000000 ] - [ 0.0030407500000000, -0.0067157200000000, 0.0011422100000000 ] - [ 0.0010887100000000, 0.0001587500000000, 0.0000698700000000 ] - [ -0.0019492900000000, -0.0000324500000000, 0.0012107100000000 ] - [ -0.0007388600000000, 0.0003481200000000, 0.0019515200000000 ] - [ 0.0062195800000000, -0.0000623600000000, 0.0024665600000000 ] - [ -0.0377555500000000, -0.0008985000000000, 0.0056127900000000 ] - [ -0.0000171600000000, -0.0000297800000000, 0.0016213400000000 ] - [ 0.0012404100000000, 0.0075849800000000, 0.0005519600000000 ] - [ -0.0002435200000000, 0.0026014500000000, 0.0010898200000000 ] - [ -0.0000163400000000, 0.0028042600000000, 0.0011377400000000 ] - [ -0.0004028000000000, 0.0028044700000000, 0.0013167100000000 ] - [ -0.0002805900000000, 0.0026016000000000, 0.0014577700000000 ] - [ -0.0001723800000000, 0.0075848900000000, -0.0004098000000000 ] - [ 0.0021419400000000, 0.0005902500000000, 0.0025076400000000 ] - [ -0.0029272100000000, 0.0003679200000000, 0.0014764900000000 ] - [ -0.0004759300000000, 0.0003648400000000, 0.0020107200000000 ] - [ -0.0016179900000000, 0.0006919200000000, 0.0010733600000000 ] - [ -0.0001138800000000, 0.0004348200000000, 0.0017364200000000 ] - [ -0.0095827000000000, -0.0004596600000000, -0.0011019700000000 ] - [ -0.0017967300000000, 0.0024292700000000, 0.0026333600000000 ] - [ 0.0007443100000000, 0.0048393900000000, 0.0013996700000000 ] - [ 0.0003660900000000, 0.0047406000000000, 0.0011844500000000 ] - [ -0.0002892400000000, 0.0044848000000000, 0.0024136400000000 ] - [ -0.0000943500000000, 0.0046195800000000, 0.0023728000000000 ] - [ 0.0002751400000000, 0.0024689400000000, 0.0038526100000000 ] - [ -0.0042278500000000, -0.0011598400000000, -0.0013402300000000 ] - [ -0.0019017100000000, -0.0039957800000000, -0.0023862500000000 ] - [ -0.0040848000000000, -0.0011894600000000, -0.0017828900000000 ] - [ -0.0038822600000000, -0.0011292500000000, -0.0015158500000000 ] - [ -0.0034142500000000, -0.0010407100000000, -0.0008035300000000 ] - [ -0.0043812600000000, -0.0021065100000000, -0.0011471400000000 ] - [ 0.0000025000000000, -0.0033285100000000, 0.0012447100000000 ] - [ -0.0000885400000000, -0.0033296700000000, 0.0008735600000000 ] - [ 0.0000643800000000, -0.0034068800000000, 0.0009617100000000 ] - [ -0.0003249100000000, -0.0019282400000000, 0.0012020100000000 ] - [ -0.0001341100000000, -0.0019282600000000, 0.0012917900000000 ] - [ -0.0003120300000000, -0.0034056500000000, 0.0009929800000000 ] - [ -0.0020846600000000, 0.0001967400000000, 0.0018721400000000 ] - [ -0.0037414500000000, 0.0007030300000000, -0.0009433700000000 ] - [ -0.0031040100000000, 0.0006337200000000, -0.0001987400000000 ] - [ -0.0040755600000000, 0.0006181000000000, -0.0015149100000000 ] - [ -0.0016654100000000, 0.0001168600000000, 0.0008070300000000 ] - [ -0.0042077300000000, 0.0005578600000000, -0.0013034000000000 ] - [ 0.0000417500000000, -0.0046390500000000, 0.0021946800000000 ] - [ -0.0013129000000000, -0.0058442900000000, 0.0041235700000000 ] - [ -0.0000839400000000, -0.0046888000000000, 0.0021710700000000 ] - [ 0.0008670200000000, -0.0050325400000000, 0.0007846200000000 ] - [ -0.0000885400000000, -0.0047259200000000, 0.0021621200000000 ] - [ 0.0025992200000000, -0.0260957600000000, -0.0019055800000000 ] - [ -0.0000229200000000, -0.0004767900000000, 0.0020030900000000 ] - [ -0.0012919500000000, -0.0003915300000000, 0.0014641100000000 ] - [ -0.0003422500000000, -0.0003264300000000, 0.0017573200000000 ] - [ -0.0027976400000000, -0.0009140800000000, 0.0005613300000000 ] - [ 0.0004164400000000, -0.0003873600000000, 0.0018345500000000 ] - [ -0.0036459900000000, -0.0008277900000000, 0.0013444800000000 ] - [ -0.0015828300000000, -0.0061573700000000, 0.0033157300000000 ] - [ -0.0004716800000000, -0.0000569200000000, 0.0015811500000000 ] - [ -0.0004337400000000, -0.0010228800000000, 0.0015579200000000 ] - [ -0.0004689900000000, -0.0004309300000000, 0.0015719600000000 ] - [ -0.0009454100000000, -0.0061400600000000, 0.0023356700000000 ] - [ -0.0003671600000000, -0.0000572700000000, 0.0015294300000000 ] - [ 0.0003497100000000, -0.0029778900000000, -0.0004759500000000 ] - [ -0.0006269200000000, 0.0000138700000000, 0.0016504900000000 ] - [ 0.0002577700000000, -0.0001030200000000, 0.0016411900000000 ] - [ -0.0001273400000000, -0.0001983200000000, 0.0018830500000000 ] - [ -0.0001137600000000, -0.0010690500000000, 0.0022203000000000 ] - [ 0.0008490400000000, -0.0001342700000000, 0.0017272300000000 ] - [ 0.0035740700000000, -0.2309439500000000, -0.0042952700000000 ] - [ 0.0018571300000000, 0.0006647500000000, -0.0008668900000000 ] - [ 0.0004191600000000, -0.0010393500000000, 0.0009663500000000 ] - [ 0.0023415800000000, -0.0006243700000000, 0.0012532700000000 ] - [ 0.0034120600000000, -0.0015483800000000, -0.0031578200000000 ] - [ -0.0007482100000000, -0.0006293200000000, -0.0001787400000000 ] - [ -0.0017477100000000, -0.0051587900000000, -0.0074235400000000 ] - [ 0.0035616100000000, -0.0026594600000000, -0.0012955700000000 ] - [ 0.0015810300000000, -0.0028572600000000, -0.0027724600000000 ] - [ 0.0029907600000000, -0.0033404100000000, -0.0005998900000000 ] - [ 0.0008954100000000, -0.0031216500000000, -0.0018069500000000 ] - [ 0.0091969100000000, -0.0051077500000000, -0.0002758300000000 ] - [ 0.0004139900000000, 0.0035309100000000, -0.0028632700000000 ] - [ 0.0043333800000000, 0.0031917800000000, -0.0014542300000000 ] - [ 0.0013270200000000, 0.0032733900000000, -0.0034740800000000 ] - [ 0.0025824100000000, 0.0022292100000000, -0.0009589200000000 ] - [ 0.0015055400000000, 0.0022177700000000, -0.0016622800000000 ] - [ 0.0041537500000000, 0.0035940800000000, -0.0004840600000000 ] - [ -0.0012762000000000, 0.0045257200000000, 0.0037054500000000 ] - [ 0.0021948100000000, -0.0004216100000000, -0.0006635100000000 ] - [ 0.0015316900000000, 0.0001128400000000, -0.0005153800000000 ] - [ 0.0014942100000000, -0.0001108200000000, -0.0004655500000000 ] - [ 0.0023326400000000, 0.0052911300000000, -0.0016271800000000 ] - [ 0.0011375800000000, -0.0005735600000000, -0.0007595700000000 ] - [ 0.0064327100000000, -0.0024296800000000, -0.0091548400000000 ] - [ 0.0018176500000000, -0.0015790500000000, -0.0046232400000000 ] - [ 0.0005366400000000, -0.0050544700000000, -0.0002131800000000 ] - [ 0.0039414800000000, -0.0015771000000000, -0.0032563700000000 ] - [ 0.0015376200000000, 0.0241881500000000, -0.0016584800000000 ] - [ 0.0029025400000000, -0.0009248300000000, -0.0033793200000000 ] - [ 0.0190015600000000, -0.0022153100000000, 0.0121296200000000 ] - [ 0.0005606900000000, -0.0016906100000000, -0.0023073300000000 ] - [ 0.0014408600000000, -0.0016013500000000, -0.0014791900000000 ] - [ 0.0036303700000000, -0.0008526200000000, -0.0032429900000000 ] - [ 0.0030182000000000, -0.0009868100000000, -0.0036727400000000 ] - [ -0.0182168100000000, -0.0023078900000000, -0.0119809400000000 ] - [ 0.0034821800000000, 0.0040347000000000, -0.0001352900000000 ] - [ 0.0027419300000000, 0.0010895000000000, -0.0026595600000000 ] - [ 0.0017346800000000, 0.0011616400000000, -0.0030452200000000 ] - [ 0.0032799400000000, 0.0031000000000000, -0.0047813800000000 ] - [ 0.0039984500000000, 0.0029765100000000, -0.0044531800000000 ] - [ -0.0009385000000000, 0.0039763000000000, -0.0028884700000000 ] - [ 0.0070915900000000, 0.0131341600000000, -0.0101973100000000 ] - [ 0.0023437400000000, 0.0008818600000000, -0.0037193500000000 ] - [ 0.0029034500000000, 0.0026269200000000, -0.0038084700000000 ] - [ 0.0028430800000000, 0.0011872500000000, -0.0035624800000000 ] - [ -0.0014456700000000, 0.0075774000000000, 0.0028647100000000 ] - [ 0.0030434800000000, 0.0009982100000000, -0.0033311000000000 ]- atom: 13 displacement: [ -0.0054706835898182, 0.0000000000000000, 0.0083708793480789 ] forces: - [ -0.0002078900000000, 0.0046088900000000, 0.0022488400000000 ] - [ 0.0007796900000000, -0.0021573300000000, 0.0009360400000000 ] - [ 0.0000476200000000, 0.0048280400000000, 0.0019725700000000 ] - [ -0.0011817900000000, 0.0030421700000000, 0.0039226800000000 ] - [ 0.0001592900000000, 0.0047863200000000, 0.0021069500000000 ] - [ -0.0031869500000000, 0.0056777300000000, 0.0069768100000000 ] - [ -0.0054944600000000, -0.0012425400000000, -0.0057395000000000 ] - [ -0.0041822000000000, -0.0009464400000000, -0.0017342400000000 ] - [ -0.0026267800000000, -0.0011857500000000, 0.0007669600000000 ] - [ -0.0037315400000000, -0.0008656500000000, -0.0008278500000000 ] - [ -0.0042636900000000, -0.0010058500000000, -0.0011161500000000 ] - [ -0.0025930100000000, -0.0009447200000000, 0.0000063300000000 ] - [ 0.0383396900000000, 0.0356086800000000, -0.0575787900000000 ] - [ -0.0004256900000000, -0.0010835400000000, 0.0014111100000000 ] - [ -0.0005132800000000, -0.0013898900000000, 0.0016779000000000 ] - [ -0.0002857400000000, -0.0011065600000000, 0.0013423900000000 ] - [ -0.0005211900000000, -0.0017737600000000, 0.0016783900000000 ] - [ -0.0002377100000000, -0.0012007600000000, 0.0013736200000000 ] - [ -0.0034940900000000, 0.0007669700000000, -0.0007761800000000 ] - [ -0.0052584200000000, 0.0017144400000000, -0.0003126200000000 ] - [ -0.0031938800000000, 0.0008578200000000, -0.0002352200000000 ] - [ -0.0036695200000000, 0.0007226100000000, -0.0004425000000000 ] - [ -0.0039172300000000, 0.0008403100000000, -0.0011467100000000 ] - [ 0.0012444900000000, -0.0144157600000000, -0.0026946800000000 ] - [ 0.0004925800000000, -0.0048202700000000, 0.0016962200000000 ] - [ -0.0005977300000000, -0.0042741900000000, 0.0024712200000000 ] - [ -0.0000732900000000, -0.0043143500000000, 0.0027512100000000 ] - [ 0.0000005200000000, -0.0045821500000000, 0.0022253200000000 ] - [ -0.0001753800000000, -0.0045316400000000, 0.0022163600000000 ] - [ 0.0001955700000000, -0.0048140100000000, 0.0015469300000000 ] - [ -0.0003486000000000, 0.0006938200000000, 0.0033899800000000 ] - [ -0.0003755700000000, -0.0002017700000000, 0.0017288200000000 ] - [ -0.0009973300000000, -0.0002964300000000, 0.0018616900000000 ] - [ -0.0002565300000000, -0.0002313400000000, 0.0016545300000000 ] - [ -0.0007066200000000, -0.0154760000000000, -0.0035273900000000 ] - [ -0.0013681200000000, -0.0001713800000000, 0.0015598800000000 ] - [ 0.0006604700000000, -0.0007525600000000, 0.0010463400000000 ] - [ -0.0006283900000000, 0.0008764600000000, 0.0014894700000000 ] - [ -0.0002785800000000, 0.0008251900000000, 0.0016830900000000 ] - [ -0.0003867700000000, 0.0004632600000000, 0.0016130600000000 ] - [ -0.0005395700000000, 0.0005476200000000, 0.0015481300000000 ] - [ -0.0003788800000000, -0.0007202100000000, 0.0003670700000000 ] - [ -0.0013698800000000, 0.0000889500000000, 0.0011593900000000 ] - [ -0.0023233900000000, -0.0001643700000000, 0.0014582600000000 ] - [ 0.0008015800000000, 0.0000841800000000, 0.0018248600000000 ] - [ -0.0002450200000000, 0.0000185400000000, 0.0020846400000000 ] - [ -0.0010837100000000, 0.0001429100000000, 0.0017080100000000 ] - [ 0.0048891500000000, -0.0002028000000000, 0.0014533600000000 ] - [ -0.0004691300000000, 0.0045904400000000, 0.0016745900000000 ] - [ -0.0002149600000000, 0.0050828000000000, 0.0019982600000000 ] - [ 0.0002429500000000, 0.0051093400000000, 0.0022088000000000 ] - [ -0.0002029500000000, 0.0046533200000000, 0.0024017900000000 ] - [ -0.0002245300000000, 0.0046652200000000, 0.0024192900000000 ] - [ 0.0006234500000000, 0.0046344900000000, 0.0023328400000000 ] - [ -0.0038996100000000, -0.0008012500000000, -0.0011309300000000 ] - [ -0.0046658400000000, 0.0004814300000000, -0.0012933800000000 ] - [ -0.0032597500000000, -0.0007886700000000, -0.0004446700000000 ] - [ -0.0038184600000000, -0.0006853100000000, -0.0007260800000000 ] - [ -0.0036810100000000, -0.0008082200000000, -0.0008878500000000 ] - [ -0.0034077000000000, -0.0007006300000000, -0.0003522400000000 ] - [ -0.0004673400000000, -0.0002802900000000, 0.0013704400000000 ] - [ -0.0004362100000000, -0.0005434400000000, 0.0013902400000000 ] - [ -0.0002532700000000, -0.0005047200000000, 0.0014810200000000 ] - [ -0.0004755900000000, -0.0006556900000000, 0.0015884700000000 ] - [ -0.0004624600000000, -0.0006851100000000, 0.0015969900000000 ] - [ -0.0002335500000000, -0.0002704900000000, 0.0014943300000000 ] - [ -0.0034338000000000, 0.0008792000000000, -0.0011053200000000 ] - [ -0.0038596400000000, 0.0008257600000000, -0.0010567000000000 ] - [ -0.0037248300000000, 0.0008482700000000, -0.0007353900000000 ] - [ -0.0032582100000000, 0.0008718500000000, -0.0003354100000000 ] - [ -0.0047636000000000, 0.0011048800000000, -0.0017955600000000 ] - [ -0.0036049900000000, 0.0009331200000000, -0.0011267800000000 ] - [ -0.0001016300000000, -0.0047096200000000, 0.0021281600000000 ] - [ 0.0004062300000000, -0.0070155500000000, 0.0014993300000000 ] - [ 0.0001696500000000, -0.0048640800000000, 0.0020335000000000 ] - [ -0.0011334000000000, -0.0044265400000000, 0.0038219200000000 ] - [ -0.0000616000000000, -0.0048154900000000, 0.0021527900000000 ] - [ -0.0014831400000000, 0.0089446700000000, 0.0044174600000000 ] - [ 0.0000305300000000, -0.0000879700000000, 0.0015875200000000 ] - [ -0.0007152700000000, -0.0001815000000000, 0.0017974500000000 ] - [ -0.0004624600000000, -0.0001898700000000, 0.0017359300000000 ] - [ 0.0008325700000000, 0.0000895400000000, 0.0023259400000000 ] - [ -0.0011641400000000, -0.0001605500000000, 0.0015853400000000 ] - [ -0.0002200300000000, -0.0001453100000000, 0.0014347200000000 ] - [ -0.0001867500000000, 0.0019582000000000, 0.0011876800000000 ] - [ -0.0003816300000000, 0.0009789600000000, 0.0013912500000000 ] - [ -0.0006426500000000, 0.0010386100000000, 0.0018657500000000 ] - [ -0.0002359100000000, 0.0010697000000000, 0.0013650200000000 ] - [ -0.0001873000000000, 0.0031268700000000, 0.0011781900000000 ] - [ -0.0003541400000000, 0.0010801500000000, 0.0014090500000000 ] - [ 0.0004169900000000, 0.0015089000000000, 0.0024693300000000 ] - [ -0.0007769400000000, 0.0002317800000000, 0.0016631100000000 ] - [ -0.0006721800000000, 0.0003380400000000, 0.0018777800000000 ] - [ 0.0000168400000000, 0.0002107100000000, 0.0017950800000000 ] - [ -0.0010182200000000, 0.0003233700000000, 0.0016894800000000 ] - [ -0.0008390000000000, 0.0002302000000000, 0.0015800800000000 ] - [ -0.0245416500000000, -0.0200491900000000, 0.0393183000000000 ] - [ 0.0023654000000000, 0.0015524500000000, -0.0010725700000000 ] - [ 0.0029155800000000, 0.0014655700000000, -0.0026194700000000 ] - [ 0.0018187100000000, 0.0015684300000000, -0.0011109300000000 ] - [ 0.0022209800000000, 0.0022173300000000, -0.0014978300000000 ] - [ 0.0017413100000000, 0.0016129600000000, -0.0013803700000000 ] - [ 0.0014576800000000, 0.0002800800000000, 0.0012487600000000 ] - [ 0.0031563600000000, -0.0012275400000000, -0.0009276900000000 ] - [ 0.0011566700000000, -0.0011840300000000, -0.0020868000000000 ] - [ 0.0015349000000000, -0.0010553600000000, -0.0014487000000000 ] - [ 0.0026342900000000, -0.0011326800000000, -0.0009156700000000 ] - [ -0.0001785600000000, 0.0002407100000000, 0.0001585700000000 ] - [ 0.0027514000000000, 0.0008185200000000, -0.0000518800000000 ] - [ 0.0018082200000000, 0.0011419500000000, -0.0006940300000000 ] - [ 0.0014412500000000, 0.0011004400000000, -0.0008304400000000 ] - [ 0.0021175400000000, 0.0012701500000000, -0.0012195800000000 ] - [ 0.0020600600000000, 0.0013029500000000, -0.0012785000000000 ] - [ 0.0005765800000000, 0.0008116800000000, -0.0013974100000000 ] - [ 0.0025586900000000, -0.0033815500000000, -0.0021312100000000 ] - [ 0.0021173000000000, -0.0015141600000000, -0.0009536500000000 ] - [ 0.0021960300000000, -0.0017613900000000, -0.0014570300000000 ] - [ 0.0015512800000000, -0.0015849300000000, -0.0012413400000000 ] - [ 0.0019622400000000, -0.0023754500000000, -0.0011873300000000 ] - [ 0.0021045900000000, -0.0015891800000000, -0.0011472400000000 ] - [ 0.0038798300000000, 0.0038576700000000, -0.0053592700000000 ] - [ 0.0029303100000000, -0.0001374400000000, -0.0028931100000000 ] - [ 0.0047858000000000, 0.0011887000000000, -0.0064230800000000 ] - [ 0.0012367500000000, 0.0001414100000000, -0.0036855800000000 ] - [ -0.0141479800000000, 0.0078340700000000, 0.0220769000000000 ] - [ 0.0033210200000000, 0.0000794000000000, -0.0029102300000000 ] - [ 0.0034723800000000, -0.0006319600000000, -0.0015336800000000 ] - [ 0.0052566500000000, -0.0003349000000000, -0.0021443000000000 ] - [ 0.0004295900000000, -0.0003307400000000, -0.0051900300000000 ] - [ 0.0027744300000000, 0.0005866700000000, -0.0038747700000000 ] - [ 0.0032721300000000, 0.0005062300000000, -0.0036007600000000 ] - [ 0.0003711500000000, -0.0007229900000000, -0.0035337200000000 ] - [ 0.0007445800000000, -0.0005288200000000, -0.0037192200000000 ] - [ 0.0032019800000000, -0.0007995200000000, -0.0035949200000000 ] - [ 0.0027882400000000, -0.0007393000000000, -0.0037992800000000 ] - [ 0.0021925900000000, -0.0006229000000000, -0.0040218500000000 ] - [ 0.0034077200000000, -0.0006579100000000, -0.0033470000000000 ] - [ 0.0035685000000000, -0.0004976700000000, -0.0019257200000000 ] - [ 0.0005123900000000, -0.0002889700000000, -0.0002646600000000 ] - [ 0.0031960700000000, 0.0002509900000000, -0.0030473400000000 ] - [ 0.0034941500000000, 0.0011342100000000, -0.0045531700000000 ] - [ 0.0018770000000000, 0.0000088500000000, -0.0033752600000000 ] - [ 0.0056681000000000, -0.0026482100000000, -0.0079983700000000 ] - [ 0.0024621600000000, 0.0000129900000000, -0.0031427300000000 ]- atom: 13 displacement: [ 0.0054706835898182, 0.0000000000000000, -0.0083708793480789 ] forces: - [ 0.0001918900000000, 0.0049116800000000, 0.0019915300000000 ] - [ -0.0008185000000000, 0.0116139600000000, 0.0033402500000000 ] - [ -0.0000622700000000, 0.0046933900000000, 0.0022674700000000 ] - [ 0.0011513800000000, 0.0064591500000000, 0.0003405700000000 ] - [ -0.0001744300000000, 0.0047346500000000, 0.0021333100000000 ] - [ 0.0031721000000000, 0.0038514500000000, -0.0027372200000000 ] - [ -0.0017863600000000, -0.0004455600000000, 0.0038989400000000 ] - [ -0.0031243800000000, -0.0007402900000000, -0.0001187600000000 ] - [ -0.0046669000000000, -0.0005013200000000, -0.0026038600000000 ] - [ -0.0035702100000000, -0.0008202800000000, -0.0010174600000000 ] - [ -0.0030388600000000, -0.0006800100000000, -0.0007304700000000 ] - [ -0.0047167300000000, -0.0007406900000000, -0.0018574600000000 ] - [ -0.0387660800000000, -0.0363032700000000, 0.0600200600000000 ] - [ -0.0002527700000000, -0.0006463000000000, 0.0014120800000000 ] - [ -0.0001647600000000, -0.0003398500000000, 0.0011455600000000 ] - [ -0.0003925200000000, -0.0006192700000000, 0.0014809200000000 ] - [ -0.0001620600000000, 0.0000469700000000, 0.0011528300000000 ] - [ -0.0004395500000000, -0.0005257800000000, 0.0014500400000000 ] - [ -0.0038168000000000, 0.0009205800000000, -0.0010862600000000 ] - [ -0.0020557400000000, -0.0000130000000000, -0.0015346300000000 ] - [ -0.0041032400000000, 0.0008297200000000, -0.0016067100000000 ] - [ -0.0036334900000000, 0.0009649100000000, -0.0013999200000000 ] - [ -0.0033878700000000, 0.0008473000000000, -0.0007041300000000 ] - [ -0.0086182200000000, 0.0161937200000000, 0.0008899700000000 ] - [ -0.0005073800000000, -0.0047093000000000, 0.0025318700000000 ] - [ 0.0005794100000000, -0.0052455000000000, 0.0017702300000000 ] - [ 0.0000589200000000, -0.0052056100000000, 0.0014915800000000 ] - [ -0.0000172200000000, -0.0049402500000000, 0.0020196600000000 ] - [ 0.0001554500000000, -0.0049903300000000, 0.0020276100000000 ] - [ -0.0001995900000000, -0.0047156100000000, 0.0026878300000000 ] - [ -0.0004958500000000, -0.0010393900000000, -0.0000337800000000 ] - [ -0.0004770500000000, -0.0001579600000000, 0.0016156000000000 ] - [ 0.0001402100000000, -0.0000630500000000, 0.0014854300000000 ] - [ -0.0005738400000000, -0.0001280600000000, 0.0016923300000000 ] - [ -0.0001512300000000, 0.0152072800000000, 0.0069547400000000 ] - [ 0.0005140700000000, -0.0001881600000000, 0.0017841200000000 ] - [ -0.0013390100000000, 0.0025036700000000, 0.0017698400000000 ] - [ -0.0000503700000000, 0.0008604600000000, 0.0013325600000000 ] - [ -0.0003976700000000, 0.0009123300000000, 0.0011402300000000 ] - [ -0.0002908700000000, 0.0012734100000000, 0.0012107100000000 ] - [ -0.0001392600000000, 0.0011886600000000, 0.0012750600000000 ] - [ -0.0002922900000000, 0.0024714700000000, 0.0024538900000000 ] - [ 0.0005273800000000, 0.0002729700000000, 0.0021912800000000 ] - [ 0.0014591500000000, 0.0005246000000000, 0.0018828000000000 ] - [ -0.0016471500000000, 0.0002763900000000, 0.0015215000000000 ] - [ -0.0006066300000000, 0.0003430000000000, 0.0012608600000000 ] - [ 0.0002311900000000, 0.0002183500000000, 0.0016372700000000 ] - [ -0.0057539700000000, 0.0005617700000000, 0.0018744000000000 ] - [ 0.0004488500000000, 0.0049240500000000, 0.0025648700000000 ] - [ 0.0002019500000000, 0.0044401500000000, 0.0022378500000000 ] - [ -0.0002551200000000, 0.0044135800000000, 0.0020276700000000 ] - [ 0.0001857800000000, 0.0048657200000000, 0.0018409700000000 ] - [ 0.0002078500000000, 0.0048541500000000, 0.0018231300000000 ] - [ -0.0006359200000000, 0.0048801900000000, 0.0019114900000000 ] - [ -0.0034059600000000, -0.0008865200000000, -0.0007196500000000 ] - [ -0.0026353800000000, -0.0021769900000000, -0.0005635600000000 ] - [ -0.0040429400000000, -0.0008991700000000, -0.0014049500000000 ] - [ -0.0034858300000000, -0.0010017600000000, -0.0011228300000000 ] - [ -0.0036209400000000, -0.0008791500000000, -0.0009596300000000 ] - [ -0.0038965600000000, -0.0009909100000000, -0.0014958400000000 ] - [ -0.0002095700000000, -0.0014576900000000, 0.0014515500000000 ] - [ -0.0002411100000000, -0.0011963300000000, 0.0014304000000000 ] - [ -0.0004224200000000, -0.0012352200000000, 0.0013405300000000 ] - [ -0.0002027000000000, -0.0010787600000000, 0.0012344800000000 ] - [ -0.0002150800000000, -0.0010494700000000, 0.0012263300000000 ] - [ -0.0004435100000000, -0.0014677900000000, 0.0013271600000000 ] - [ -0.0038604300000000, 0.0008069800000000, -0.0007310100000000 ] - [ -0.0034442000000000, 0.0008608000000000, -0.0007920300000000 ] - [ -0.0035764600000000, 0.0008381000000000, -0.0011093200000000 ] - [ -0.0040443300000000, 0.0008146600000000, -0.0015124800000000 ] - [ -0.0025355700000000, 0.0005804300000000, -0.0000512900000000 ] - [ -0.0036998000000000, 0.0007537500000000, -0.0007242800000000 ] - [ 0.0000862600000000, -0.0048106400000000, 0.0021121700000000 ] - [ -0.0004260800000000, -0.0025165400000000, 0.0027481400000000 ] - [ -0.0001844300000000, -0.0046571600000000, 0.0022065800000000 ] - [ 0.0011142600000000, -0.0050923500000000, 0.0004240800000000 ] - [ 0.0000458100000000, -0.0047052700000000, 0.0020876400000000 ] - [ 0.0014843500000000, -0.0185831100000000, -0.0002026300000000 ] - [ -0.0008762500000000, -0.0002723900000000, 0.0017582200000000 ] - [ -0.0001388000000000, -0.0001792500000000, 0.0015475800000000 ] - [ -0.0003873100000000, -0.0001706500000000, 0.0016096800000000 ] - [ -0.0016846600000000, -0.0004513700000000, 0.0010162500000000 ] - [ 0.0003146500000000, -0.0002000800000000, 0.0017598900000000 ] - [ -0.0006436700000000, -0.0002157300000000, 0.0019073300000000 ] - [ -0.0004983400000000, -0.0002555000000000, 0.0016465300000000 ] - [ -0.0002965100000000, 0.0007502000000000, 0.0014318600000000 ] - [ -0.0000368200000000, 0.0006877600000000, 0.0009598300000000 ] - [ -0.0004416100000000, 0.0006584800000000, 0.0014579600000000 ] - [ -0.0004893800000000, -0.0014096100000000, 0.0016431400000000 ] - [ -0.0003235600000000, 0.0006494900000000, 0.0014140300000000 ] - [ -0.0012585500000000, -0.0011569100000000, 0.0008710900000000 ] - [ -0.0000750000000000, 0.0001282800000000, 0.0016817400000000 ] - [ -0.0001765400000000, 0.0000221600000000, 0.0014684000000000 ] - [ -0.0008637000000000, 0.0001484800000000, 0.0015508900000000 ] - [ 0.0001684800000000, 0.0000325000000000, 0.0016569700000000 ] - [ -0.0000075700000000, 0.0001292900000000, 0.0017646900000000 ] - [ 0.0279647600000000, 0.0224024000000000, -0.0408951800000000 ] - [ 0.0013862100000000, 0.0012194500000000, -0.0010003400000000 ] - [ 0.0008378300000000, 0.0013024100000000, 0.0005385300000000 ] - [ 0.0019312300000000, 0.0011997800000000, -0.0009558500000000 ] - [ 0.0015381000000000, 0.0005538600000000, -0.0005901600000000 ] - [ 0.0019986600000000, 0.0011558100000000, -0.0006926900000000 ] - [ 0.0022880500000000, -0.0030686200000000, -0.0033381400000000 ] - [ 0.0006022300000000, -0.0015482600000000, -0.0011457800000000 ] - [ 0.0025886500000000, -0.0015923200000000, 0.0000043400000000 ] - [ 0.0022150200000000, -0.0017236300000000, -0.0006263200000000 ] - [ 0.0011159400000000, -0.0016459000000000, -0.0011592200000000 ] - [ 0.0039427800000000, -0.0030293100000000, -0.0022359800000000 ] - [ 0.0009949200000000, 0.0019598000000000, -0.0020243500000000 ] - [ 0.0019513100000000, 0.0016369400000000, -0.0013793700000000 ] - [ 0.0023031100000000, 0.0016784700000000, -0.0012524500000000 ] - [ 0.0016349900000000, 0.0015051800000000, -0.0008546800000000 ] - [ 0.0016887900000000, 0.0014725000000000, -0.0007982500000000 ] - [ 0.0031757600000000, 0.0019670800000000, -0.0006749400000000 ] - [ 0.0011787500000000, 0.0006264700000000, 0.0000750300000000 ] - [ 0.0016338600000000, -0.0012562800000000, -0.0011184700000000 ] - [ 0.0015537500000000, -0.0010084100000000, -0.0006175800000000 ] - [ 0.0021951400000000, -0.0011847800000000, -0.0008310500000000 ] - [ 0.0017865100000000, -0.0003800400000000, -0.0008854900000000 ] - [ 0.0016428100000000, -0.0011820300000000, -0.0009259700000000 ] - [ 0.0012164600000000, -0.0042367700000000, -0.0011266900000000 ] - [ 0.0021643100000000, -0.0002549100000000, -0.0035965000000000 ] - [ 0.0003198800000000, -0.0015848300000000, -0.0000769700000000 ] - [ 0.0038587700000000, -0.0005324100000000, -0.0028024100000000 ] - [ 0.0194098300000000, -0.0088561000000000, -0.0288164100000000 ] - [ 0.0017796600000000, -0.0004691600000000, -0.0035743300000000 ] - [ 0.0016926600000000, 0.0010201300000000, -0.0048999100000000 ] - [ -0.0001500600000000, 0.0007136800000000, -0.0043297000000000 ] - [ 0.0046484100000000, 0.0007096300000000, -0.0013014900000000 ] - [ 0.0023241600000000, -0.0001996200000000, -0.0026167500000000 ] - [ 0.0018317600000000, -0.0001198000000000, -0.0028877200000000 ] - [ 0.0046469400000000, 0.0011103500000000, -0.0029950300000000 ] - [ 0.0043479400000000, 0.0001551600000000, -0.0027562300000000 ] - [ 0.0018979200000000, 0.0004127900000000, -0.0028908400000000 ] - [ 0.0023061700000000, 0.0003529200000000, -0.0026890700000000 ] - [ 0.0029029400000000, 0.0002454400000000, -0.0024721100000000 ] - [ 0.0016968800000000, 0.0002798900000000, -0.0031418700000000 ] - [ 0.0015178800000000, 0.0001240000000000, -0.0045536400000000 ] - [ 0.0045988500000000, 0.0006969100000000, -0.0062449000000000 ] - [ 0.0019017700000000, 0.0001393200000000, -0.0034393600000000 ] - [ 0.0016085700000000, -0.0007320500000000, -0.0019424900000000 ] - [ 0.0032170300000000, 0.0003817300000000, -0.0031122600000000 ] - [ -0.0005891100000000, 0.0030404600000000, 0.0015382700000000 ] - [ 0.0026355600000000, 0.0003768200000000, -0.0033431400000000 ]- atom: 31 displacement: [ 0.0099992567053987, 0.0000000000000000, 0.0001219234987175 ] forces: - [ 0.0004688400000000, 0.0050707900000000, 0.0019975000000000 ] - [ -0.0018302600000000, 0.0049521400000000, 0.0044730700000000 ] - [ 0.0007767000000000, 0.0049515900000000, 0.0014414800000000 ] - [ 0.0001956700000000, 0.0099898500000000, 0.0004863400000000 ] - [ -0.0004441100000000, 0.0034101700000000, 0.0033305200000000 ] - [ 0.0005859100000000, 0.0058689400000000, 0.0009812400000000 ] - [ -0.0045688700000000, -0.0013784600000000, -0.0027408500000000 ] - [ -0.0022014800000000, -0.0002683400000000, 0.0020134000000000 ] - [ -0.0079373200000000, -0.0012128000000000, -0.0060178500000000 ] - [ -0.0024896500000000, -0.0008115900000000, 0.0000457400000000 ] - [ -0.0047675100000000, -0.0007422200000000, -0.0025215600000000 ] - [ -0.0025511600000000, -0.0010564100000000, 0.0007953200000000 ] - [ -0.0010025600000000, -0.0023535400000000, 0.0011022500000000 ] - [ 0.0000590600000000, 0.0006596300000000, 0.0017320600000000 ] - [ 0.0027417100000000, 0.0364001600000000, 0.0030311800000000 ] - [ 0.0005638200000000, -0.0012667800000000, 0.0008763700000000 ] - [ -0.0001796000000000, -0.0005517900000000, 0.0008408100000000 ] - [ 0.0004077900000000, -0.0075438200000000, 0.0020889400000000 ] - [ -0.0021880400000000, 0.0006486800000000, -0.0005805700000000 ] - [ 0.0254670200000000, -0.0009211700000000, 0.0363878600000000 ] - [ 0.0182920500000000, 0.0021300600000000, 0.0339656600000000 ] - [ -0.0011235600000000, 0.0008212000000000, -0.0027111200000000 ] - [ -0.0017836500000000, 0.0006302500000000, 0.0021699700000000 ] - [ -0.0025708900000000, 0.0008408000000000, 0.0006420400000000 ] - [ 0.0034006600000000, -0.0035049400000000, -0.0033941400000000 ] - [ 0.0039035500000000, -0.0079574900000000, 0.0009079700000000 ] - [ -0.0055881500000000, 0.0028020600000000, 0.0114648600000000 ] - [ 0.0012711900000000, -0.0055323800000000, 0.0011344800000000 ] - [ 0.0001126500000000, -0.0048349900000000, 0.0014877100000000 ] - [ -0.0013541700000000, -0.0041996800000000, 0.0054168700000000 ] - [ -0.2218832200000000, -0.0226267400000000, 0.0050596500000000 ] - [ 0.0029248300000000, -0.0002404000000000, 0.0016452200000000 ] - [ -0.0016685300000000, -0.0003083500000000, -0.0008081500000000 ] - [ 0.0105821100000000, 0.0001358300000000, 0.0055927800000000 ] - [ -0.0017106500000000, -0.0003123700000000, 0.0011985700000000 ] - [ 0.0105324300000000, -0.0005606800000000, 0.0039506700000000 ] - [ 0.0006227800000000, -0.0016495600000000, -0.0002166900000000 ] - [ 0.0011502200000000, 0.0034329900000000, 0.0012477500000000 ] - [ -0.0058034500000000, -0.0082919600000000, 0.0041689900000000 ] - [ 0.0003105500000000, 0.0011729100000000, 0.0010534900000000 ] - [ -0.0005891400000000, -0.0003351100000000, 0.0014686400000000 ] - [ -0.0006559100000000, 0.0008245600000000, 0.0026654200000000 ] - [ 0.0011495800000000, -0.0002535600000000, 0.0014978200000000 ] - [ 0.0000910000000000, 0.0014188900000000, 0.0025563200000000 ] - [ 0.0000803000000000, -0.0010367300000000, 0.0015261400000000 ] - [ 0.0011523600000000, 0.0003788000000000, 0.0015022000000000 ] - [ -0.0000977000000000, 0.0001865200000000, 0.0018857900000000 ] - [ -0.0000940200000000, 0.0000379300000000, 0.0019436100000000 ] - [ 0.0011670300000000, 0.0057859000000000, 0.0002603100000000 ] - [ -0.0007225700000000, 0.0009267200000000, 0.0046115100000000 ] - [ 0.0046543500000000, 0.0164937400000000, 0.0000627600000000 ] - [ 0.0011581800000000, 0.0046991000000000, 0.0010541700000000 ] - [ -0.0018826200000000, 0.0045524200000000, 0.0039492800000000 ] - [ 0.0002395800000000, 0.0053892400000000, 0.0023634900000000 ] - [ -0.0028293800000000, -0.0008500100000000, -0.0002221100000000 ] - [ -0.0047635100000000, -0.0012923100000000, -0.0008544000000000 ] - [ -0.0016588800000000, -0.0000641500000000, -0.0001213300000000 ] - [ -0.0029822900000000, -0.0031949500000000, -0.0021090400000000 ] - [ -0.0032490900000000, -0.0000946800000000, 0.0009893000000000 ] - [ -0.0032429900000000, -0.0008982700000000, -0.0008865900000000 ] - [ -0.0002258800000000, 0.0000044300000000, 0.0011427900000000 ] - [ -0.0004343300000000, -0.0012685700000000, 0.0018872800000000 ] - [ -0.0006777700000000, 0.0023574100000000, 0.0014392500000000 ] - [ 0.0002845500000000, -0.0017045200000000, 0.0009371700000000 ] - [ -0.0013072600000000, 0.0015173700000000, 0.0022881600000000 ] - [ -0.0001647100000000, -0.0009492100000000, 0.0014816900000000 ] - [ -0.0050811900000000, 0.0011453200000000, -0.0029562400000000 ] - [ -0.0028338500000000, 0.0009285800000000, 0.0000243300000000 ] - [ -0.0051698400000000, 0.0008773600000000, -0.0028655700000000 ] - [ -0.0028926200000000, 0.0008895000000000, -0.0002064400000000 ] - [ -0.0040495100000000, 0.0009486200000000, -0.0016759000000000 ] - [ -0.0031032000000000, 0.0008261600000000, 0.0003759500000000 ] - [ 0.0005971400000000, -0.0051677800000000, 0.0016336900000000 ] - [ -0.0014117500000000, 0.0014064100000000, 0.0035501900000000 ] - [ 0.0003114600000000, -0.0061105800000000, 0.0020366600000000 ] - [ 0.0002352100000000, -0.0039964100000000, 0.0013755700000000 ] - [ -0.0001791100000000, -0.0040950100000000, 0.0027882500000000 ] - [ -0.0002305700000000, -0.0048857900000000, 0.0022388600000000 ] - [ 0.0001108400000000, -0.0000525600000000, 0.0014784400000000 ] - [ 0.0001104600000000, -0.0000271500000000, 0.0016878000000000 ] - [ -0.0005194300000000, -0.0002197000000000, 0.0018572000000000 ] - [ 0.0001997600000000, -0.0000950400000000, 0.0016568000000000 ] - [ 0.0001975800000000, -0.0001073200000000, 0.0016535400000000 ] - [ -0.0005179400000000, -0.0000628400000000, 0.0021118300000000 ] - [ -0.0011816500000000, 0.0015883300000000, 0.0018832200000000 ] - [ 0.0000713100000000, 0.0006625500000000, 0.0012603800000000 ] - [ -0.0004138500000000, 0.0011749000000000, 0.0006543300000000 ] - [ 0.0001404800000000, 0.0021429800000000, 0.0012267400000000 ] - [ -0.0002936000000000, 0.0015470200000000, 0.0011493100000000 ] - [ -0.0003199400000000, 0.0011665600000000, 0.0019492000000000 ] - [ -0.0049125000000000, 0.0018000100000000, 0.0003380500000000 ] - [ 0.0019196600000000, -0.0000623300000000, 0.0019402900000000 ] - [ -0.0048863600000000, -0.0006918000000000, 0.0003494800000000 ] - [ 0.0019239700000000, 0.0003289600000000, 0.0017742200000000 ] - [ -0.0009415200000000, 0.0001660400000000, 0.0011760900000000 ] - [ 0.0009880700000000, 0.0004164300000000, 0.0028174100000000 ] - [ 0.0043984800000000, 0.0026047700000000, -0.0008619100000000 ] - [ -0.0027784800000000, 0.0000833300000000, -0.0013983700000000 ] - [ 0.1604208500000000, -0.0020925700000000, -0.0435222400000000 ] - [ -0.0014451900000000, 0.0013303100000000, -0.0002811900000000 ] - [ 0.0020202800000000, 0.0010464300000000, 0.0013537800000000 ] - [ -0.0018886100000000, 0.0076368400000000, -0.0159576700000000 ] - [ 0.0012918600000000, 0.0018758200000000, 0.0008814300000000 ] - [ -0.0000458800000000, -0.0049342600000000, -0.0036817900000000 ] - [ 0.0033453300000000, 0.0044706200000000, 0.0035383800000000 ] - [ 0.0003622000000000, -0.0014082100000000, -0.0013371700000000 ] - [ 0.0020270700000000, -0.0008518300000000, 0.0002527100000000 ] - [ 0.0013749600000000, -0.0014960400000000, -0.0027215000000000 ] - [ 0.0016406500000000, 0.0007928300000000, -0.0001654800000000 ] - [ 0.0015914200000000, 0.0013190400000000, -0.0023725000000000 ] - [ 0.0021327000000000, -0.0002008300000000, 0.0008679300000000 ] - [ 0.0009528200000000, 0.0016687300000000, -0.0015166200000000 ] - [ 0.0024518400000000, 0.0002933200000000, 0.0004058000000000 ] - [ 0.0011878800000000, 0.0013910500000000, -0.0015461400000000 ] - [ 0.0083387000000000, -0.0017731300000000, -0.0012103300000000 ] - [ -0.0000797200000000, -0.0012452600000000, -0.0009852400000000 ] - [ 0.0039628800000000, 0.0005349100000000, 0.0015243700000000 ] - [ -0.0006906200000000, -0.0033728500000000, -0.0020842300000000 ] - [ 0.0022394500000000, -0.0018419500000000, -0.0006909000000000 ] - [ 0.0008633200000000, -0.0016574900000000, -0.0034100500000000 ] - [ 0.0137272100000000, -0.0198524500000000, -0.0097842600000000 ] - [ -0.0003004900000000, 0.0004640500000000, -0.0030897900000000 ] - [ 0.0014182500000000, -0.0020917100000000, 0.0006733700000000 ] - [ -0.0005901900000000, 0.0051205300000000, -0.0036662400000000 ] - [ 0.0038851100000000, 0.0016147400000000, -0.0030750100000000 ] - [ 0.0009598800000000, -0.0016778000000000, -0.0060435800000000 ] - [ -0.0002725800000000, 0.0011754700000000, 0.0013179500000000 ] - [ -0.0207978400000000, 0.0047596600000000, -0.0171182700000000 ] - [ 0.0162657200000000, -0.0090212200000000, -0.0199282700000000 ] - [ -0.0032362200000000, -0.0001923800000000, -0.0029651700000000 ] - [ 0.0061734200000000, 0.0029484900000000, -0.0049924200000000 ] - [ -0.0020311600000000, -0.0013489900000000, -0.0090824900000000 ] - [ -0.0005788200000000, -0.0071896300000000, 0.0044545600000000 ] - [ -0.0012438400000000, 0.0038253900000000, -0.0031513200000000 ] - [ 0.0092045200000000, -0.0092428200000000, -0.0063932100000000 ] - [ 0.0000419100000000, 0.0003614200000000, -0.0031712800000000 ] - [ 0.0021975100000000, -0.0008747800000000, -0.0025513900000000 ] - [ 0.0033351900000000, 0.0007875900000000, -0.0076162800000000 ] - [ 0.0058530300000000, -0.0012192500000000, -0.0046737800000000 ] - [ 0.0009519500000000, 0.0001306100000000, -0.0036628600000000 ] - [ 0.0032735800000000, -0.0026473100000000, -0.0008761900000000 ] - [ 0.0005606900000000, -0.0005188200000000, -0.0027868000000000 ] - [ 0.0023528200000000, -0.0010278700000000, -0.0021491500000000 ] - [ 0.0021870600000000, 0.0006795200000000, -0.0050922800000000 ]- atom: 31 displacement: [ -0.0099992567053987, 0.0000000000000000, -0.0001219234987175 ] forces: - [ -0.0004864200000000, 0.0044466500000000, 0.0022428300000000 ] - [ 0.0018189000000000, 0.0045681200000000, -0.0002364400000000 ] - [ -0.0007948000000000, 0.0045685700000000, 0.0028010800000000 ] - [ -0.0002091700000000, -0.0005191300000000, 0.0037620400000000 ] - [ 0.0004299000000000, 0.0061125300000000, 0.0009038500000000 ] - [ -0.0006056800000000, 0.0036468500000000, 0.0032678000000000 ] - [ -0.0027359200000000, -0.0003071400000000, 0.0008919500000000 ] - [ -0.0051044700000000, -0.0014237600000000, -0.0038746100000000 ] - [ 0.0006526200000000, -0.0004590900000000, 0.0041952400000000 ] - [ -0.0048164100000000, -0.0008761000000000, -0.0018967600000000 ] - [ -0.0025313500000000, -0.0009452900000000, 0.0006748600000000 ] - [ -0.0047547300000000, -0.0006302400000000, -0.0026503800000000 ] - [ 0.0003171500000000, 0.0006376200000000, 0.0017392200000000 ] - [ -0.0007392700000000, -0.0024100600000000, 0.0010874600000000 ] - [ -0.0034281900000000, -0.0385153000000000, -0.0001843200000000 ] - [ -0.0012429700000000, -0.0004673200000000, 0.0019470600000000 ] - [ -0.0004979500000000, -0.0011820000000000, 0.0019861600000000 ] - [ -0.0010865500000000, 0.0058040200000000, 0.0007339000000000 ] - [ -0.0051195200000000, 0.0010369800000000, -0.0012735500000000 ] - [ -0.0335424600000000, 0.0026285100000000, -0.0387830500000000 ] - [ -0.0254597500000000, -0.0004219900000000, -0.0358168400000000 ] - [ -0.0061893500000000, 0.0008695500000000, 0.0008828600000000 ] - [ -0.0055445800000000, 0.0010583300000000, -0.0040529800000000 ] - [ -0.0047231100000000, 0.0008509300000000, -0.0024576300000000 ] - [ -0.0033957700000000, -0.0060297700000000, 0.0076618800000000 ] - [ -0.0039482800000000, -0.0015318200000000, 0.0033467500000000 ] - [ 0.0054541000000000, -0.0123646200000000, -0.0073126800000000 ] - [ -0.0012931200000000, -0.0039836300000000, 0.0031141500000000 ] - [ -0.0001301200000000, -0.0046837800000000, 0.0027535400000000 ] - [ 0.0013491400000000, -0.0053222400000000, -0.0011798000000000 ] - [ 0.2320021700000000, 0.0235537800000000, -0.0046199500000000 ] - [ -0.0037837100000000, -0.0001197400000000, 0.0017002500000000 ] - [ 0.0008266400000000, -0.0000491400000000, 0.0041559700000000 ] - [ -0.0114019400000000, -0.0004983000000000, -0.0022417200000000 ] - [ 0.0008334800000000, -0.0000443100000000, 0.0021479700000000 ] - [ -0.0114918800000000, 0.0002074200000000, -0.0006352700000000 ] - [ -0.0013051400000000, 0.0033844900000000, 0.0030474200000000 ] - [ -0.0018300500000000, -0.0017252000000000, 0.0015813800000000 ] - [ 0.0051158900000000, 0.0101020200000000, -0.0014005400000000 ] - [ -0.0009907200000000, 0.0005547500000000, 0.0017726800000000 ] - [ -0.0000878100000000, 0.0020697300000000, 0.0013523200000000 ] - [ -0.0000167900000000, 0.0009063700000000, 0.0001539900000000 ] - [ -0.0020065500000000, 0.0006137700000000, 0.0018467100000000 ] - [ -0.0009167300000000, -0.0010668600000000, 0.0007816700000000 ] - [ -0.0009525100000000, 0.0014055300000000, 0.0018245200000000 ] - [ -0.0020037900000000, -0.0000198300000000, 0.0018447400000000 ] - [ -0.0007561500000000, 0.0001735500000000, 0.0014552400000000 ] - [ -0.0007509200000000, 0.0003227900000000, 0.0014021000000000 ] - [ -0.0011841700000000, 0.0037324200000000, 0.0039795600000000 ] - [ 0.0007175000000000, 0.0086294000000000, -0.0003907400000000 ] - [ -0.0045803900000000, -0.0068982800000000, 0.0042177900000000 ] - [ -0.0011773900000000, 0.0048259500000000, 0.0031931600000000 ] - [ 0.0018712000000000, 0.0049719700000000, 0.0002863000000000 ] - [ -0.0002531300000000, 0.0041295800000000, 0.0018781900000000 ] - [ -0.0044771800000000, -0.0008357400000000, -0.0016308600000000 ] - [ -0.0025279500000000, -0.0003949100000000, -0.0009607400000000 ] - [ -0.0056420700000000, -0.0016228500000000, -0.0017319400000000 ] - [ -0.0043071600000000, 0.0015147300000000, 0.0002690900000000 ] - [ -0.0040614700000000, -0.0015969600000000, -0.0028545000000000 ] - [ -0.0040580500000000, -0.0007889600000000, -0.0009575700000000 ] - [ -0.0004523200000000, -0.0017368900000000, 0.0016798500000000 ] - [ -0.0002401100000000, -0.0004594300000000, 0.0009336800000000 ] - [ -0.0000021300000000, -0.0040795600000000, 0.0013818500000000 ] - [ -0.0009645900000000, -0.0000206400000000, 0.0018897700000000 ] - [ 0.0006323700000000, -0.0032573600000000, 0.0005299200000000 ] - [ -0.0005131700000000, -0.0007805300000000, 0.0013419900000000 ] - [ -0.0022229500000000, 0.0005419700000000, 0.0011044700000000 ] - [ -0.0044707900000000, 0.0007578600000000, -0.0018753500000000 ] - [ -0.0021268900000000, 0.0008099200000000, 0.0010233300000000 ] - [ -0.0044113500000000, 0.0007976200000000, -0.0016422100000000 ] - [ -0.0032536800000000, 0.0007385500000000, -0.0001726400000000 ] - [ -0.0041994600000000, 0.0008607400000000, -0.0022267600000000 ] - [ -0.0006141300000000, -0.0043529300000000, 0.0026076900000000 ] - [ 0.0014028700000000, -0.0109573900000000, 0.0006848000000000 ] - [ -0.0003286400000000, -0.0034072200000000, 0.0022038500000000 ] - [ -0.0002518700000000, -0.0055281900000000, 0.0028688400000000 ] - [ 0.0001651000000000, -0.0054316000000000, 0.0014480700000000 ] - [ 0.0002125200000000, -0.0046296500000000, 0.0020063600000000 ] - [ -0.0009625800000000, -0.0003070400000000, 0.0018663400000000 ] - [ -0.0009578500000000, -0.0003340300000000, 0.0016576400000000 ] - [ -0.0003323500000000, -0.0001396100000000, 0.0014862400000000 ] - [ -0.0010487100000000, -0.0002650900000000, 0.0016893200000000 ] - [ -0.0010510600000000, -0.0002527800000000, 0.0016906200000000 ] - [ -0.0003246100000000, -0.0002982100000000, 0.0012330500000000 ] - [ 0.0004936500000000, 0.0001025500000000, 0.0009537300000000 ] - [ -0.0007501400000000, 0.0010711500000000, 0.0015623600000000 ] - [ -0.0002604000000000, 0.0005449700000000, 0.0021717000000000 ] - [ -0.0008183200000000, -0.0004101900000000, 0.0015960700000000 ] - [ -0.0003850100000000, 0.0001833400000000, 0.0016757400000000 ] - [ -0.0003571200000000, 0.0005643600000000, 0.0008697100000000 ] - [ 0.0040429600000000, -0.0014474900000000, 0.0030026300000000 ] - [ -0.0027753400000000, 0.0004254800000000, 0.0014040000000000 ] - [ 0.0040698200000000, 0.0010360600000000, 0.0029772300000000 ] - [ -0.0027751500000000, 0.0000312600000000, 0.0015705700000000 ] - [ 0.0000892000000000, 0.0001943600000000, 0.0021694800000000 ] - [ -0.0018380000000000, -0.0000540500000000, 0.0005223500000000 ] - [ -0.0006206700000000, 0.0001583000000000, -0.0012540700000000 ] - [ 0.0065554400000000, 0.0027047800000000, -0.0006721400000000 ] - [ -0.1689878000000000, 0.0038259900000000, 0.0436958900000000 ] - [ 0.0051989900000000, 0.0014458900000000, -0.0017927600000000 ] - [ 0.0017249300000000, 0.0017263300000000, -0.0034471700000000 ] - [ 0.0056658600000000, -0.0048729700000000, 0.0139850300000000 ] - [ 0.0024654800000000, -0.0046564200000000, -0.0029560400000000 ] - [ 0.0037903800000000, 0.0021873000000000, 0.0016248300000000 ] - [ 0.0004168500000000, -0.0073290400000000, -0.0056328300000000 ] - [ 0.0033896200000000, -0.0013635900000000, -0.0007361700000000 ] - [ 0.0017233600000000, -0.0019220900000000, -0.0023270300000000 ] - [ 0.0023689300000000, -0.0012752100000000, 0.0006536500000000 ] - [ 0.0021114400000000, 0.0019808400000000, -0.0019082500000000 ] - [ 0.0021519300000000, 0.0014562500000000, 0.0003027900000000 ] - [ 0.0016176500000000, 0.0029740500000000, -0.0029398900000000 ] - [ 0.0027963000000000, 0.0011032700000000, -0.0005556300000000 ] - [ 0.0012972800000000, 0.0024856400000000, -0.0024820900000000 ] - [ 0.0025610200000000, 0.0013817600000000, -0.0005276600000000 ] - [ -0.0045846400000000, -0.0009415700000000, -0.0009184100000000 ] - [ 0.0038357000000000, -0.0015306700000000, -0.0010870700000000 ] - [ -0.0002502100000000, -0.0033216300000000, -0.0036030500000000 ] - [ 0.0044380600000000, 0.0005981400000000, 0.0000104800000000 ] - [ 0.0015124100000000, -0.0009298200000000, -0.0013889700000000 ] - [ 0.0028903300000000, -0.0011209300000000, 0.0013530700000000 ] - [ -0.0087427900000000, 0.0195121100000000, 0.0033327300000000 ] - [ 0.0054075500000000, -0.0008502700000000, -0.0033954600000000 ] - [ 0.0036828600000000, 0.0017180300000000, -0.0071839900000000 ] - [ 0.0057018700000000, -0.0055114500000000, -0.0028067900000000 ] - [ 0.0012165800000000, -0.0020230400000000, -0.0034246800000000 ] - [ 0.0041463100000000, 0.0013064200000000, -0.0004250300000000 ] - [ 0.0053920200000000, -0.0007817600000000, -0.0077910300000000 ] - [ 0.0260933600000000, -0.0044132000000000, 0.0106967700000000 ] - [ -0.0092499500000000, 0.0094408500000000, 0.0144969500000000 ] - [ 0.0083595700000000, 0.0005822600000000, -0.0035374600000000 ] - [ -0.0010791700000000, -0.0025722500000000, -0.0014663000000000 ] - [ 0.0071133100000000, 0.0017422200000000, 0.0025910800000000 ] - [ 0.0056921500000000, 0.0067976400000000, -0.0108947000000000 ] - [ 0.0063436500000000, -0.0042535100000000, -0.0033502000000000 ] - [ -0.0041053300000000, 0.0089221400000000, -0.0000633200000000 ] - [ 0.0050567500000000, -0.0007541800000000, -0.0033223700000000 ] - [ 0.0029036200000000, 0.0004866800000000, -0.0039304000000000 ] - [ 0.0017250600000000, -0.0011897100000000, 0.0011435700000000 ] - [ -0.0007575600000000, 0.0016267200000000, -0.0018196000000000 ] - [ 0.0041500900000000, 0.0002584800000000, -0.0028198800000000 ] - [ 0.0018184900000000, 0.0030551800000000, -0.0056228300000000 ] - [ 0.0045408200000000, 0.0009058400000000, -0.0037004400000000 ] - [ 0.0027462900000000, 0.0014193400000000, -0.0043444100000000 ] - [ 0.0029109200000000, -0.0002919900000000, -0.0013858100000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000685500000000, 0.0049292400000000, 0.0020535000000000 ] - [ -0.0001408000000000, 0.0054968900000000, 0.0023691000000000 ] - [ -0.0000175500000000, 0.0049317300000000, 0.0021288100000000 ] - [ 0.0002428600000000, 0.0061074000000000, 0.0016294500000000 ] - [ -0.0000195700000000, 0.0050577700000000, 0.0019612400000000 ] - [ 0.0001670300000000, 0.0051798700000000, 0.0018587800000000 ] - [ -0.0036886200000000, -0.0007953700000000, -0.0008708700000000 ] - [ -0.0033108700000000, -0.0007797300000000, -0.0004602500000000 ] - [ -0.0038579400000000, 0.0009745800000000, -0.0012361800000000 ] - [ -0.0035593100000000, -0.0008348400000000, -0.0008893900000000 ] - [ -0.0037628100000000, -0.0007935400000000, -0.0013769600000000 ] - [ -0.0037791000000000, -0.0008171300000000, -0.0011168200000000 ] - [ -0.0005376100000000, -0.0012146600000000, 0.0023138200000000 ] - [ -0.0002922500000000, -0.0010111400000000, 0.0014159200000000 ] - [ 0.0194165600000000, -0.0001889500000000, -0.0038498200000000 ] - [ -0.0003548400000000, -0.0010161700000000, 0.0014106800000000 ] - [ -0.0002760200000000, -0.0013922800000000, 0.0013128700000000 ] - [ -0.0003965900000000, -0.0009816800000000, 0.0013124000000000 ] - [ -0.0035897200000000, 0.0007617200000000, -0.0008607700000000 ] - [ -0.0012258700000000, -0.0021665700000000, -0.0001125000000000 ] - [ -0.0039457400000000, 0.0007033800000000, -0.0021913000000000 ] - [ -0.0040079900000000, 0.0005881600000000, -0.0006511600000000 ] - [ -0.0034773900000000, 0.0007529200000000, -0.0006545200000000 ] - [ -0.0036561600000000, 0.0005812000000000, -0.0010083900000000 ] - [ 0.0000664200000000, -0.0055699100000000, 0.0024302900000000 ] - [ 0.0001400200000000, -0.0050777100000000, 0.0019182100000000 ] - [ 0.0024127800000000, -0.0052476800000000, 0.0061805700000000 ] - [ -0.0000327300000000, -0.0048748100000000, 0.0021032700000000 ] - [ -0.0000563300000000, -0.0048429400000000, 0.0022418300000000 ] - [ -0.0000176200000000, -0.0050982000000000, 0.0020203300000000 ] - [ -0.0237602000000000, -0.0305182500000000, 0.0049741800000000 ] - [ -0.0004823900000000, -0.0002258500000000, 0.0016705100000000 ] - [ -0.0005629900000000, -0.0004078400000000, 0.0018745000000000 ] - [ -0.0008068600000000, -0.0002953100000000, 0.0015593600000000 ] - [ -0.0005549900000000, -0.0004077500000000, 0.0016620300000000 ] - [ -0.0000967000000000, -0.0002955700000000, 0.0017229000000000 ] - [ -0.0006784200000000, 0.0006829200000000, 0.0015995800000000 ] - [ -0.0001781700000000, 0.0004634500000000, 0.0016247300000000 ] - [ -0.0032028900000000, 0.0014751300000000, 0.0000226100000000 ] - [ -0.0003547900000000, 0.0006124600000000, 0.0014452600000000 ] - [ -0.0004301800000000, 0.0003549600000000, 0.0015451000000000 ] - [ -0.0003673100000000, 0.0006832000000000, 0.0015085000000000 ] - [ -0.0006231100000000, 0.0002229700000000, 0.0016978900000000 ] - [ 0.0007865200000000, 0.0005024600000000, 0.0020844700000000 ] - [ -0.0016592700000000, 0.0005003400000000, 0.0016303100000000 ] - [ 0.0000093900000000, 0.0002232900000000, 0.0016346200000000 ] - [ -0.0002808700000000, 0.0002108700000000, 0.0015464200000000 ] - [ -0.0004318100000000, 0.0002110600000000, 0.0016823900000000 ] - [ 0.0000294500000000, 0.0045048800000000, 0.0020877800000000 ] - [ -0.0002223000000000, 0.0041814300000000, 0.0023925100000000 ] - [ 0.0051004800000000, 0.0036498800000000, 0.0033700500000000 ] - [ -0.0001278400000000, 0.0045751600000000, 0.0021221500000000 ] - [ -0.0003002600000000, 0.0044387400000000, 0.0026486500000000 ] - [ -0.0000020600000000, 0.0045679300000000, 0.0021039200000000 ] - [ -0.0036294200000000, -0.0008435600000000, -0.0008602500000000 ] - [ -0.0040295100000000, -0.0007029600000000, -0.0032981500000000 ] - [ -0.0029008900000000, -0.0007694900000000, -0.0004034000000000 ] - [ -0.0040617200000000, -0.0007024600000000, -0.0012960900000000 ] - [ -0.0033212900000000, -0.0007718400000000, -0.0003308900000000 ] - [ -0.0036917300000000, -0.0008358200000000, -0.0009385800000000 ] - [ -0.0003269200000000, -0.0006540100000000, 0.0014174300000000 ] - [ -0.0004586400000000, -0.0005693500000000, 0.0014437700000000 ] - [ -0.0003067700000000, -0.0002197500000000, 0.0014747500000000 ] - [ -0.0003643600000000, -0.0006599500000000, 0.0014174000000000 ] - [ -0.0004609500000000, -0.0001324000000000, 0.0016546500000000 ] - [ -0.0003364100000000, -0.0007197200000000, 0.0014010900000000 ] - [ -0.0036936100000000, 0.0011028500000000, -0.0009571200000000 ] - [ -0.0036276600000000, 0.0009230500000000, -0.0009285400000000 ] - [ -0.0037426600000000, 0.0011021300000000, -0.0012168600000000 ] - [ -0.0036549600000000, 0.0009035100000000, -0.0009387200000000 ] - [ -0.0036973500000000, 0.0009126300000000, -0.0010027200000000 ] - [ -0.0037053100000000, 0.0009383000000000, -0.0010136700000000 ] - [ -0.0000058400000000, -0.0046485700000000, 0.0021268000000000 ] - [ -0.0003428200000000, -0.0028642400000000, 0.0027060700000000 ] - [ -0.0000805800000000, -0.0044818000000000, 0.0021803100000000 ] - [ -0.0000058500000000, -0.0041956200000000, 0.0021133100000000 ] - [ -0.0000221100000000, -0.0045585400000000, 0.0021546000000000 ] - [ 0.0000333400000000, -0.0043801700000000, 0.0020497700000000 ] - [ -0.0002703000000000, -0.0000408500000000, 0.0016976400000000 ] - [ -0.0002986400000000, -0.0000406900000000, 0.0016765700000000 ] - [ -0.0003063700000000, -0.0000015300000000, 0.0016183300000000 ] - [ -0.0003520400000000, -0.0001195900000000, 0.0016750500000000 ] - [ -0.0003392900000000, -0.0001196500000000, 0.0016801400000000 ] - [ -0.0004667700000000, -0.0000005700000000, 0.0016986600000000 ] - [ 0.0004394100000000, 0.0040530000000000, 0.0003181600000000 ] - [ -0.0003009900000000, 0.0010315300000000, 0.0013740200000000 ] - [ -0.0004660000000000, 0.0021192500000000, 0.0011552900000000 ] - [ -0.0002746300000000, 0.0011803700000000, 0.0013929900000000 ] - [ -0.0002598000000000, 0.0011481600000000, 0.0012735200000000 ] - [ -0.0002964700000000, 0.0012442900000000, 0.0014022400000000 ] - [ 0.0004508900000000, 0.0010603500000000, 0.0011638100000000 ] - [ -0.0005718500000000, 0.0001701400000000, 0.0016671900000000 ] - [ -0.0020744700000000, 0.0010639900000000, 0.0028722600000000 ] - [ -0.0001801600000000, 0.0001704000000000, 0.0017397700000000 ] - [ -0.0004100900000000, 0.0001909900000000, 0.0016891900000000 ] - [ -0.0006619500000000, 0.0001341800000000, 0.0016996900000000 ] - [ 0.0020391400000000, 0.0032934500000000, -0.0015171900000000 ] - [ 0.0017094200000000, 0.0015513000000000, -0.0011950100000000 ] - [ 0.0040694200000000, 0.0289054300000000, -0.0006774700000000 ] - [ 0.0019054700000000, 0.0016166800000000, -0.0011288300000000 ] - [ 0.0020320300000000, 0.0018620900000000, -0.0013252500000000 ] - [ 0.0018582900000000, 0.0017738000000000, -0.0007568600000000 ] - [ 0.0022205900000000, -0.0016798900000000, -0.0012523200000000 ] - [ 0.0008480300000000, -0.0015176500000000, -0.0013264400000000 ] - [ 0.0032050400000000, -0.0037252100000000, -0.0000881700000000 ] - [ 0.0015832500000000, -0.0012409800000000, -0.0009808000000000 ] - [ 0.0017892600000000, -0.0011216800000000, -0.0006571400000000 ] - [ 0.0018679700000000, -0.0013796100000000, -0.0010360100000000 ] - [ 0.0018214200000000, 0.0011329500000000, -0.0009456400000000 ] - [ 0.0019110400000000, 0.0009343700000000, -0.0009876500000000 ] - [ 0.0017728200000000, 0.0005030300000000, -0.0010037400000000 ] - [ 0.0017547300000000, 0.0011241700000000, -0.0009640500000000 ] - [ 0.0017346300000000, 0.0007566800000000, -0.0006692500000000 ] - [ 0.0018213000000000, 0.0011809800000000, -0.0009831600000000 ] - [ 0.0010920300000000, -0.0039133900000000, 0.0017256700000000 ] - [ 0.0018773100000000, -0.0014790000000000, -0.0010888100000000 ] - [ 0.0036872700000000, -0.0021578400000000, -0.0012388500000000 ] - [ 0.0015845800000000, -0.0015647200000000, -0.0015280200000000 ] - [ 0.0017996900000000, -0.0014830800000000, -0.0008683600000000 ] - [ 0.0018647800000000, -0.0016013900000000, -0.0014981200000000 ] - [ 0.0016921900000000, -0.0066903100000000, -0.0060769700000000 ] - [ 0.0025455500000000, -0.0002327600000000, -0.0031752000000000 ] - [ 0.0018025300000000, -0.0006663600000000, -0.0019562900000000 ] - [ 0.0033393500000000, -0.0005117800000000, -0.0026997000000000 ] - [ 0.0026287100000000, -0.0007182500000000, -0.0034175300000000 ] - [ 0.0022199900000000, -0.0003323600000000, -0.0032576100000000 ] - [ 0.0026678900000000, 0.0008390800000000, -0.0033107600000000 ] - [ 0.0017125500000000, 0.0009229600000000, -0.0037184400000000 ] - [ -0.0003504600000000, 0.0121745100000000, -0.0055457500000000 ] - [ 0.0027602300000000, 0.0006161000000000, -0.0030969900000000 ] - [ 0.0028887300000000, 0.0012882400000000, -0.0039288300000000 ] - [ 0.0027061200000000, 0.0006756300000000, -0.0031174100000000 ] - [ 0.0002098800000000, -0.0009559000000000, -0.0024176000000000 ] - [ 0.0032274400000000, -0.0000859700000000, -0.0029413300000000 ] - [ 0.0020861200000000, -0.0023323900000000, -0.0055784500000000 ] - [ 0.0025313300000000, -0.0001581800000000, -0.0033066100000000 ] - [ 0.0025858700000000, -0.0003028100000000, -0.0034787600000000 ] - [ 0.0039523200000000, 0.0001413400000000, -0.0027209600000000 ] - [ 0.0024736900000000, -0.0021904600000000, -0.0029639400000000 ] - [ 0.0024531600000000, -0.0001184200000000, -0.0032452700000000 ] - [ 0.0022862000000000, -0.0017700500000000, -0.0028340900000000 ] - [ 0.0024748400000000, -0.0002670400000000, -0.0032943500000000 ] - [ 0.0024951700000000, -0.0003920300000000, -0.0031186200000000 ] - [ 0.0025214600000000, -0.0003914200000000, -0.0031491100000000 ]- atom: 31 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000828900000000, 0.0045926000000000, 0.0021864900000000 ] - [ 0.0001231600000000, 0.0040304900000000, 0.0018738100000000 ] - [ 0.0000038000000000, 0.0045900700000000, 0.0021101400000000 ] - [ -0.0002613700000000, 0.0034239400000000, 0.0026111100000000 ] - [ 0.0000046700000000, 0.0044620000000000, 0.0022811800000000 ] - [ -0.0001817600000000, 0.0043426800000000, 0.0023800000000000 ] - [ -0.0036136900000000, -0.0008916000000000, -0.0009785500000000 ] - [ -0.0039909200000000, -0.0009056700000000, -0.0013845900000000 ] - [ -0.0034510900000000, -0.0026902700000000, -0.0006243800000000 ] - [ -0.0037417700000000, -0.0008517200000000, -0.0009572900000000 ] - [ -0.0035413200000000, -0.0008929800000000, -0.0004716600000000 ] - [ -0.0035207400000000, -0.0008694300000000, -0.0007269200000000 ] - [ -0.0001393200000000, -0.0005182100000000, 0.0005036400000000 ] - [ -0.0003848100000000, -0.0007154600000000, 0.0014076400000000 ] - [ -0.0204047900000000, -0.0016241500000000, 0.0067823600000000 ] - [ -0.0003219200000000, -0.0007148600000000, 0.0014121400000000 ] - [ -0.0004018300000000, -0.0003348500000000, 0.0015093200000000 ] - [ -0.0002802600000000, -0.0007473900000000, 0.0015116800000000 ] - [ -0.0037101700000000, 0.0009251700000000, -0.0009860600000000 ] - [ -0.0060349700000000, 0.0038717800000000, -0.0016261700000000 ] - [ -0.0033535600000000, 0.0009922300000000, 0.0003255900000000 ] - [ -0.0032851700000000, 0.0011000100000000, -0.0012047000000000 ] - [ -0.0038207100000000, 0.0009339100000000, -0.0011888900000000 ] - [ -0.0036468500000000, 0.0011062000000000, -0.0008438500000000 ] - [ -0.0000771100000000, -0.0039552500000000, 0.0018169300000000 ] - [ -0.0001453300000000, -0.0044514900000000, 0.0023198100000000 ] - [ -0.0024361800000000, -0.0042956800000000, -0.0019320500000000 ] - [ 0.0000204400000000, -0.0046492000000000, 0.0021347900000000 ] - [ 0.0000416400000000, -0.0046796300000000, 0.0019962100000000 ] - [ -0.0000007900000000, -0.0044258300000000, 0.0022239300000000 ] - [ 0.0224641700000000, 0.0300672800000000, -0.0012713300000000 ] - [ -0.0003617400000000, -0.0001340000000000, 0.0016744600000000 ] - [ -0.0002899600000000, 0.0000484200000000, 0.0014640600000000 ] - [ -0.0000410900000000, -0.0000646900000000, 0.0017861100000000 ] - [ -0.0002960100000000, 0.0000485100000000, 0.0016829300000000 ] - [ -0.0007295300000000, -0.0000649700000000, 0.0016252700000000 ] - [ 0.0000023700000000, 0.0010506000000000, 0.0012213100000000 ] - [ -0.0004962100000000, 0.0012782800000000, 0.0011969000000000 ] - [ 0.0025363500000000, 0.0002106700000000, 0.0028597500000000 ] - [ -0.0003216300000000, 0.0011218800000000, 0.0013766700000000 ] - [ -0.0002472500000000, 0.0013788300000000, 0.0012769400000000 ] - [ -0.0003108200000000, 0.0010510900000000, 0.0013157200000000 ] - [ -0.0002237500000000, 0.0001374100000000, 0.0016466200000000 ] - [ -0.0016460500000000, -0.0001403500000000, 0.0012592200000000 ] - [ 0.0008256900000000, -0.0001425200000000, 0.0017150900000000 ] - [ -0.0008589500000000, 0.0001377400000000, 0.0017099300000000 ] - [ -0.0005688700000000, 0.0001494100000000, 0.0018003600000000 ] - [ -0.0004185500000000, 0.0001496000000000, 0.0016625700000000 ] - [ -0.0000434400000000, 0.0050162800000000, 0.0021507800000000 ] - [ 0.0002027200000000, 0.0053282300000000, 0.0018526400000000 ] - [ -0.0050480000000000, 0.0058936900000000, 0.0008881800000000 ] - [ 0.0001144400000000, 0.0049440800000000, 0.0021158600000000 ] - [ 0.0002870000000000, 0.0050791500000000, 0.0015920800000000 ] - [ -0.0000130300000000, 0.0049521300000000, 0.0021359000000000 ] - [ -0.0036720300000000, -0.0008437000000000, -0.0009870600000000 ] - [ -0.0032787000000000, -0.0009853600000000, 0.0014152500000000 ] - [ -0.0043965000000000, -0.0009175000000000, -0.0014406400000000 ] - [ -0.0032390500000000, -0.0009958600000000, -0.0005587400000000 ] - [ -0.0039818500000000, -0.0009163200000000, -0.0015174900000000 ] - [ -0.0036110500000000, -0.0008516400000000, -0.0009112100000000 ] - [ -0.0003500600000000, -0.0010782700000000, 0.0014048500000000 ] - [ -0.0002202200000000, -0.0011638900000000, 0.0013791700000000 ] - [ -0.0003703400000000, -0.0015137900000000, 0.0013489500000000 ] - [ -0.0003121600000000, -0.0010751800000000, 0.0014041500000000 ] - [ -0.0002161200000000, -0.0016007000000000, 0.0011683500000000 ] - [ -0.0003408000000000, -0.0010133700000000, 0.0014210500000000 ] - [ -0.0036081600000000, 0.0005850400000000, -0.0008913300000000 ] - [ -0.0036744000000000, 0.0007640500000000, -0.0009187000000000 ] - [ -0.0035619600000000, 0.0005838700000000, -0.0006316100000000 ] - [ -0.0036464900000000, 0.0007836100000000, -0.0009085600000000 ] - [ -0.0036051100000000, 0.0007744400000000, -0.0008455400000000 ] - [ -0.0035974700000000, 0.0007489600000000, -0.0008342600000000 ] - [ -0.0000085500000000, -0.0048724700000000, 0.0021127200000000 ] - [ 0.0003241800000000, -0.0066392500000000, 0.0015364400000000 ] - [ 0.0000663000000000, -0.0050402700000000, 0.0020599800000000 ] - [ -0.0000099000000000, -0.0053233800000000, 0.0021267400000000 ] - [ 0.0000064700000000, -0.0049607100000000, 0.0020868900000000 ] - [ -0.0000475100000000, -0.0051405000000000, 0.0021887000000000 ] - [ -0.0005766400000000, -0.0003193300000000, 0.0016470900000000 ] - [ -0.0005530100000000, -0.0003191700000000, 0.0016681200000000 ] - [ -0.0005431200000000, -0.0003595600000000, 0.0017278000000000 ] - [ -0.0004974700000000, -0.0002403700000000, 0.0016695500000000 ] - [ -0.0005091900000000, -0.0002404300000000, 0.0016649400000000 ] - [ -0.0003860100000000, -0.0003586200000000, 0.0016457700000000 ] - [ -0.0011060300000000, -0.0022808700000000, 0.0024929500000000 ] - [ -0.0003759300000000, 0.0006990300000000, 0.0014485700000000 ] - [ -0.0002161500000000, -0.0003836700000000, 0.0016658900000000 ] - [ -0.0004024500000000, 0.0005516900000000, 0.0014298600000000 ] - [ -0.0004170600000000, 0.0005834800000000, 0.0015479900000000 ] - [ -0.0003813800000000, 0.0004864800000000, 0.0014209600000000 ] - [ -0.0012899000000000, -0.0006915400000000, 0.0021757300000000 ] - [ -0.0002741800000000, 0.0001893000000000, 0.0016780300000000 ] - [ 0.0012025600000000, -0.0006879600000000, 0.0004932600000000 ] - [ -0.0006663200000000, 0.0001895700000000, 0.0016054400000000 ] - [ -0.0004379600000000, 0.0001688500000000, 0.0016550800000000 ] - [ -0.0001906600000000, 0.0002252900000000, 0.0016459000000000 ] - [ 0.0017111700000000, -0.0005202600000000, -0.0005469000000000 ] - [ 0.0020296400000000, 0.0012176700000000, -0.0008776700000000 ] - [ 0.0005895500000000, -0.0260221800000000, -0.0017254900000000 ] - [ 0.0018395000000000, 0.0011553300000000, -0.0009449000000000 ] - [ 0.0017171600000000, 0.0009077200000000, -0.0007397200000000 ] - [ 0.0018905800000000, 0.0009957800000000, -0.0013087400000000 ] - [ 0.0015249100000000, -0.0010929300000000, -0.0008183100000000 ] - [ 0.0029038700000000, -0.0012659500000000, -0.0007525100000000 ] - [ 0.0005291500000000, 0.0009819700000000, -0.0019795700000000 ] - [ 0.0021651600000000, -0.0015341800000000, -0.0010936900000000 ] - [ 0.0019610200000000, -0.0016532300000000, -0.0014173500000000 ] - [ 0.0018819500000000, -0.0013971400000000, -0.0010406100000000 ] - [ 0.0019266100000000, 0.0016400700000000, -0.0011274800000000 ] - [ 0.0018406300000000, 0.0018381300000000, -0.0010867400000000 ] - [ 0.0019733100000000, 0.0022707400000000, -0.0010697300000000 ] - [ 0.0019951700000000, 0.0016505000000000, -0.0011105100000000 ] - [ 0.0020155200000000, 0.0020178300000000, -0.0014062300000000 ] - [ 0.0019275400000000, 0.0015925600000000, -0.0010908100000000 ] - [ 0.0026337400000000, 0.0011368300000000, -0.0037749600000000 ] - [ 0.0018686400000000, -0.0012929700000000, -0.0009845600000000 ] - [ 0.0000829400000000, -0.0006062200000000, -0.0008223800000000 ] - [ 0.0021624000000000, -0.0012084300000000, -0.0005479700000000 ] - [ 0.0019474500000000, -0.0012889800000000, -0.0012019400000000 ] - [ 0.0018850500000000, -0.0011708600000000, -0.0005760100000000 ] - [ 0.0034545900000000, 0.0062779400000000, -0.0004156500000000 ] - [ 0.0025462000000000, -0.0001563500000000, -0.0033107900000000 ] - [ 0.0032959500000000, 0.0002735100000000, -0.0045285600000000 ] - [ 0.0017459800000000, 0.0001240500000000, -0.0037948400000000 ] - [ 0.0024676600000000, 0.0003314600000000, -0.0030657400000000 ] - [ 0.0028736000000000, -0.0000607900000000, -0.0032337300000000 ] - [ 0.0024232200000000, -0.0004519700000000, -0.0031694000000000 ] - [ 0.0033215400000000, -0.0005242300000000, -0.0028056200000000 ] - [ 0.0051984700000000, -0.0117563400000000, -0.0012207300000000 ] - [ 0.0023226400000000, -0.0002293000000000, -0.0033886700000000 ] - [ 0.0022100300000000, -0.0009014900000000, -0.0025549900000000 ] - [ 0.0023918300000000, -0.0002882000000000, -0.0033695800000000 ] - [ 0.0048754100000000, 0.0005671000000000, -0.0040728400000000 ] - [ 0.0018635200000000, -0.0002896500000000, -0.0035437300000000 ] - [ 0.0029955900000000, 0.0019536700000000, -0.0009232100000000 ] - [ 0.0025620900000000, -0.0002260400000000, -0.0031769300000000 ] - [ 0.0025077200000000, -0.0000832400000000, -0.0030060000000000 ] - [ 0.0011621700000000, -0.0005208100000000, -0.0037632400000000 ] - [ 0.0026217900000000, 0.0025595600000000, -0.0035141200000000 ] - [ 0.0026412300000000, 0.0005068400000000, -0.0032416700000000 ] - [ 0.0028140500000000, 0.0021531500000000, -0.0036486700000000 ] - [ 0.0026173800000000, 0.0006549000000000, -0.0031916900000000 ] - [ 0.0026001200000000, 0.0007791600000000, -0.0033653500000000 ] - [ 0.0025746600000000, 0.0007811000000000, -0.0033401800000000 ]- atom: 31 displacement: [ -0.0054706835898182, 0.0000000000000000, 0.0083708793480789 ] forces: - [ -0.0002319300000000, 0.0046402100000000, 0.0022313000000000 ] - [ 0.0010355600000000, 0.0047166100000000, 0.0007403900000000 ] - [ -0.0003560800000000, 0.0046804300000000, 0.0023826400000000 ] - [ -0.0000719000000000, 0.0016796800000000, 0.0027847900000000 ] - [ 0.0002650100000000, 0.0053903400000000, 0.0016126900000000 ] - [ -0.0005541400000000, 0.0040780600000000, 0.0030166400000000 ] - [ -0.0034221900000000, -0.0004969700000000, -0.0002204600000000 ] - [ -0.0042477900000000, -0.0010659000000000, -0.0022711300000000 ] - [ -0.0017323200000000, -0.0006851900000000, 0.0004111900000000 ] - [ -0.0042693000000000, -0.0008487800000000, -0.0014652200000000 ] - [ -0.0032071400000000, -0.0009365500000000, -0.0001134800000000 ] - [ -0.0039222600000000, -0.0007020200000000, -0.0013253000000000 ] - [ -0.0005634600000000, 0.0012832800000000, 0.0029219100000000 ] - [ -0.0004795900000000, -0.0013166800000000, 0.0013422200000000 ] - [ -0.0008416300000000, -0.0247817500000000, -0.0039847600000000 ] - [ -0.0007674800000000, -0.0006032900000000, 0.0016345300000000 ] - [ -0.0005492800000000, -0.0012749000000000, 0.0018335800000000 ] - [ -0.0005365300000000, 0.0021146400000000, 0.0011594400000000 ] - [ -0.0046578300000000, 0.0009473100000000, -0.0015269200000000 ] - [ 0.0016034400000000, 0.0001666500000000, -0.0200936400000000 ] - [ -0.0127014200000000, -0.0000560900000000, -0.0154107100000000 ] - [ -0.0056091800000000, 0.0008184100000000, 0.0002978200000000 ] - [ -0.0038636000000000, 0.0009139500000000, -0.0013298200000000 ] - [ -0.0036987500000000, 0.0012075100000000, 0.0009641300000000 ] - [ -0.0014920600000000, -0.0050355200000000, 0.0033230700000000 ] - [ -0.0012657000000000, -0.0037341100000000, 0.0021071300000000 ] - [ 0.0071959600000000, -0.0043726900000000, 0.0045696500000000 ] - [ -0.0008445700000000, -0.0042896400000000, 0.0027859100000000 ] - [ -0.0003152100000000, -0.0044643900000000, 0.0029370000000000 ] - [ 0.0006464900000000, -0.0052140000000000, 0.0007365400000000 ] - [ 0.1309705800000000, 0.0154262600000000, -0.0559116000000000 ] - [ -0.0022855000000000, -0.0001485700000000, 0.0016039100000000 ] - [ -0.0001373200000000, -0.0001170600000000, 0.0031831400000000 ] - [ -0.0045146900000000, -0.0003125900000000, -0.0000111600000000 ] - [ -0.0018115000000000, 0.0000657300000000, 0.0020861400000000 ] - [ -0.0031672000000000, -0.0000648000000000, 0.0008732500000000 ] - [ -0.0010206700000000, 0.0020820600000000, 0.0019932600000000 ] - [ -0.0009813600000000, 0.0001509400000000, 0.0010973500000000 ] - [ 0.0039565700000000, 0.0035703200000000, 0.0005353300000000 ] - [ -0.0007176600000000, 0.0007496800000000, 0.0016291900000000 ] - [ -0.0003763400000000, 0.0010233200000000, 0.0016776900000000 ] - [ -0.0001200200000000, 0.0011730400000000, 0.0009046800000000 ] - [ -0.0014344500000000, 0.0004494100000000, 0.0017678300000000 ] - [ -0.0008192800000000, -0.0004672700000000, 0.0010064400000000 ] - [ 0.0000406700000000, 0.0005025700000000, 0.0015776900000000 ] - [ -0.0014356400000000, 0.0000491200000000, 0.0017667400000000 ] - [ -0.0003796400000000, 0.0001683100000000, 0.0016772400000000 ] - [ -0.0004238700000000, 0.0003645800000000, 0.0016473000000000 ] - [ -0.0007377600000000, 0.0040485600000000, 0.0031596000000000 ] - [ 0.0004623400000000, 0.0062063300000000, 0.0009260900000000 ] - [ -0.0023526100000000, 0.0000490200000000, 0.0014677000000000 ] - [ -0.0006629800000000, 0.0047729400000000, 0.0025719900000000 ] - [ 0.0001662300000000, 0.0050317400000000, 0.0020354100000000 ] - [ -0.0002107200000000, 0.0042404100000000, 0.0022689700000000 ] - [ -0.0040401400000000, -0.0008682800000000, -0.0011836000000000 ] - [ -0.0028447100000000, -0.0007835700000000, 0.0001266300000000 ] - [ -0.0047222800000000, -0.0011790200000000, -0.0016386000000000 ] - [ -0.0046125700000000, 0.0009537000000000, -0.0009423900000000 ] - [ -0.0031518900000000, -0.0008666400000000, -0.0007446900000000 ] - [ -0.0039430100000000, -0.0008432400000000, -0.0007763100000000 ] - [ -0.0004799000000000, -0.0011686800000000, 0.0016321600000000 ] - [ -0.0001615900000000, -0.0009214800000000, 0.0011450100000000 ] - [ -0.0001298300000000, -0.0023559400000000, 0.0011735900000000 ] - [ -0.0006722200000000, -0.0005400600000000, 0.0015906500000000 ] - [ -0.0000982500000000, -0.0012412400000000, 0.0013966900000000 ] - [ -0.0004388400000000, -0.0008906300000000, 0.0014335900000000 ] - [ -0.0030977700000000, 0.0006471400000000, -0.0002278400000000 ] - [ -0.0040627200000000, 0.0008107200000000, -0.0014262000000000 ] - [ -0.0030078600000000, 0.0008439100000000, -0.0001894100000000 ] - [ -0.0039812600000000, 0.0008069700000000, -0.0011803900000000 ] - [ -0.0035836600000000, 0.0007996600000000, -0.0005872300000000 ] - [ -0.0037172600000000, 0.0008401300000000, -0.0012601100000000 ] - [ -0.0003229700000000, -0.0045138000000000, 0.0023824400000000 ] - [ 0.0008814300000000, -0.0085027700000000, 0.0010445700000000 ] - [ -0.0000764400000000, -0.0042165800000000, 0.0021071900000000 ] - [ -0.0002537100000000, -0.0051024000000000, 0.0026028900000000 ] - [ 0.0000958900000000, -0.0049945300000000, 0.0018734900000000 ] - [ -0.0001020200000000, -0.0042231300000000, 0.0023393700000000 ] - [ -0.0007070500000000, -0.0002463800000000, 0.0017199000000000 ] - [ -0.0008797200000000, -0.0002429100000000, 0.0016055200000000 ] - [ -0.0000049300000000, -0.0001359900000000, 0.0016197400000000 ] - [ -0.0007826500000000, -0.0002202200000000, 0.0017308900000000 ] - [ -0.0007818500000000, -0.0002176100000000, 0.0017318900000000 ] - [ -0.0002149700000000, -0.0002907900000000, 0.0014810500000000 ] - [ -0.0003081000000000, -0.0013605700000000, 0.0016841400000000 ] - [ -0.0005354100000000, 0.0009591900000000, 0.0015029800000000 ] - [ -0.0004084700000000, 0.0011549300000000, 0.0017700600000000 ] - [ -0.0005309400000000, 0.0002125800000000, 0.0014652800000000 ] - [ -0.0004766200000000, 0.0004666500000000, 0.0016875000000000 ] - [ -0.0002700200000000, 0.0008776700000000, 0.0012896000000000 ] - [ 0.0009219500000000, -0.0017045700000000, 0.0023826400000000 ] - [ -0.0016265300000000, 0.0002574500000000, 0.0015361900000000 ] - [ 0.0009112400000000, 0.0010793800000000, 0.0023735400000000 ] - [ -0.0014874000000000, 0.0001033800000000, 0.0016272600000000 ] - [ -0.0005601800000000, 0.0001736000000000, 0.0020109700000000 ] - [ -0.0002369700000000, 0.0000291400000000, 0.0013427600000000 ] - [ 0.0026606300000000, -0.0000481000000000, -0.0046116100000000 ] - [ 0.0031301800000000, 0.0017273600000000, -0.0011195600000000 ] - [ -0.1390293000000000, 0.0032885800000000, 0.0538890400000000 ] - [ 0.0034954000000000, 0.0013428400000000, -0.0011453200000000 ] - [ 0.0023578000000000, 0.0017549100000000, -0.0029079400000000 ] - [ 0.0025923200000000, -0.0013165500000000, 0.0048407400000000 ] - [ 0.0024358400000000, -0.0032223200000000, -0.0018041800000000 ] - [ 0.0030873700000000, 0.0000384400000000, 0.0003145500000000 ] - [ 0.0008878800000000, -0.0023524800000000, -0.0021164900000000 ] - [ 0.0027727600000000, -0.0014108600000000, -0.0009332800000000 ] - [ 0.0017417200000000, -0.0014946800000000, -0.0017015900000000 ] - [ 0.0018829700000000, -0.0016851800000000, -0.0005282900000000 ] - [ 0.0020912000000000, 0.0016279300000000, -0.0014600000000000 ] - [ 0.0018365900000000, 0.0016097500000000, -0.0005434300000000 ] - [ 0.0017960900000000, 0.0022110200000000, -0.0016546200000000 ] - [ 0.0024590900000000, 0.0012554200000000, -0.0008042700000000 ] - [ 0.0013924500000000, 0.0014964900000000, -0.0015491400000000 ] - [ 0.0022036400000000, 0.0014342400000000, -0.0009232300000000 ] - [ -0.0013685400000000, 0.0014910100000000, -0.0021715300000000 ] - [ 0.0028023800000000, -0.0014333300000000, -0.0011333100000000 ] - [ 0.0016796300000000, -0.0030737300000000, -0.0025890500000000 ] - [ 0.0029228400000000, -0.0004300300000000, -0.0003961400000000 ] - [ 0.0021041000000000, -0.0010115700000000, -0.0015817200000000 ] - [ 0.0017403500000000, -0.0012317300000000, -0.0007262700000000 ] - [ -0.0042855300000000, 0.0107600100000000, 0.0026701000000000 ] - [ 0.0040768700000000, -0.0006186100000000, -0.0032104200000000 ] - [ 0.0035868700000000, 0.0010795300000000, -0.0054630400000000 ] - [ 0.0032811700000000, -0.0024897600000000, -0.0033214100000000 ] - [ 0.0025129000000000, -0.0027246400000000, -0.0040726200000000 ] - [ 0.0030761700000000, 0.0003022500000000, -0.0022549300000000 ] - [ 0.0054133000000000, 0.0002458500000000, -0.0049358200000000 ] - [ 0.0103109900000000, -0.0014718800000000, 0.0024001200000000 ] - [ 0.0095112400000000, 0.0025799700000000, 0.0264210700000000 ] - [ 0.0061465600000000, 0.0002867400000000, -0.0030013000000000 ] - [ 0.0014588100000000, -0.0002728600000000, -0.0045819400000000 ] - [ 0.0030673100000000, 0.0010661800000000, -0.0017402300000000 ] - [ 0.0054215400000000, 0.0034947300000000, -0.0054550800000000 ] - [ 0.0048667800000000, -0.0016253100000000, -0.0024734800000000 ] - [ 0.0000612000000000, -0.0003613000000000, -0.0026540200000000 ] - [ 0.0038666300000000, -0.0004424900000000, -0.0036170500000000 ] - [ 0.0032571000000000, -0.0001258400000000, -0.0041570400000000 ] - [ 0.0010827700000000, -0.0002442000000000, -0.0020201400000000 ] - [ 0.0010973600000000, 0.0018300600000000, -0.0026303000000000 ] - [ 0.0033464400000000, 0.0001997100000000, -0.0031195600000000 ] - [ 0.0023815100000000, 0.0015050500000000, -0.0040323800000000 ] - [ 0.0034150100000000, 0.0005845400000000, -0.0034090900000000 ] - [ 0.0030784100000000, 0.0008544400000000, -0.0041864300000000 ] - [ 0.0022430600000000, -0.0001373900000000, -0.0026371400000000 ]- atom: 31 displacement: [ 0.0054706835898182, 0.0000000000000000, -0.0083708793480789 ] forces: - [ 0.0002155800000000, 0.0048796200000000, 0.0020081900000000 ] - [ -0.0010507200000000, 0.0048012500000000, 0.0035000900000000 ] - [ 0.0003394400000000, 0.0048392000000000, 0.0018579100000000 ] - [ 0.0000565200000000, 0.0078131900000000, 0.0014617100000000 ] - [ -0.0002803800000000, 0.0041310700000000, 0.0026250100000000 ] - [ 0.0005393200000000, 0.0054408600000000, 0.0012241800000000 ] - [ -0.0038767200000000, -0.0011896600000000, -0.0016220500000000 ] - [ -0.0030576500000000, -0.0006229900000000, 0.0004144400000000 ] - [ -0.0055604100000000, -0.0009993800000000, -0.0022498600000000 ] - [ -0.0030357800000000, -0.0008386900000000, -0.0003858900000000 ] - [ -0.0040919200000000, -0.0007503500000000, -0.0017308200000000 ] - [ -0.0033836900000000, -0.0009854300000000, -0.0005288500000000 ] - [ -0.0001096700000000, -0.0030334400000000, -0.0001090100000000 ] - [ -0.0001995500000000, -0.0004187600000000, 0.0014786500000000 ] - [ 0.0001193600000000, 0.0228492300000000, 0.0067624100000000 ] - [ 0.0000884500000000, -0.0011287500000000, 0.0011883400000000 ] - [ -0.0001266300000000, -0.0004567100000000, 0.0009902900000000 ] - [ -0.0001435500000000, -0.0038419800000000, 0.0016615800000000 ] - [ -0.0026463700000000, 0.0007401200000000, -0.0003204100000000 ] - [ -0.0088988500000000, 0.0015221200000000, 0.0180016400000000 ] - [ 0.0053853300000000, 0.0017513600000000, 0.0134895600000000 ] - [ -0.0016969300000000, 0.0008702400000000, -0.0021339400000000 ] - [ -0.0034484300000000, 0.0007738400000000, -0.0005341100000000 ] - [ -0.0036102000000000, 0.0004740400000000, -0.0028475800000000 ] - [ 0.0014662000000000, -0.0044966800000000, 0.0009620000000000 ] - [ 0.0012379600000000, -0.0057727600000000, 0.0021364400000000 ] - [ -0.0072069400000000, -0.0051663400000000, -0.0003840600000000 ] - [ 0.0008271500000000, -0.0052284100000000, 0.0014553800000000 ] - [ 0.0003016100000000, -0.0050584500000000, 0.0013002300000000 ] - [ -0.0006623700000000, -0.0043035000000000, 0.0034993400000000 ] - [ -0.1267534200000000, -0.0150979500000000, 0.0597942600000000 ] - [ 0.0014294100000000, -0.0002112200000000, 0.0017407200000000 ] - [ -0.0006992600000000, -0.0002412100000000, 0.0001614600000000 ] - [ 0.0036543400000000, -0.0000480500000000, 0.0033560400000000 ] - [ 0.0009879900000000, -0.0004271800000000, 0.0012610200000000 ] - [ 0.0022828400000000, -0.0002938200000000, 0.0024631800000000 ] - [ 0.0003423800000000, -0.0003420600000000, 0.0008369200000000 ] - [ 0.0003001200000000, 0.0015680700000000, 0.0017269100000000 ] - [ -0.0046518700000000, -0.0018361200000000, 0.0022863300000000 ] - [ 0.0000390700000000, 0.0009792300000000, 0.0011938900000000 ] - [ -0.0002987400000000, 0.0007174400000000, 0.0011412100000000 ] - [ -0.0005577300000000, 0.0005551900000000, 0.0019156500000000 ] - [ 0.0005814300000000, -0.0000887700000000, 0.0015766100000000 ] - [ -0.0000205800000000, 0.0008211200000000, 0.0023327100000000 ] - [ -0.0008957500000000, -0.0001374200000000, 0.0017697100000000 ] - [ 0.0005856600000000, 0.0003103900000000, 0.0015789500000000 ] - [ -0.0004732500000000, 0.0001920500000000, 0.0016660900000000 ] - [ -0.0004248700000000, -0.0000056300000000, 0.0016968500000000 ] - [ 0.0007190700000000, 0.0054709100000000, 0.0010853900000000 ] - [ -0.0004748100000000, 0.0033265600000000, 0.0033075500000000 ] - [ 0.0023255600000000, 0.0094525400000000, 0.0028052400000000 ] - [ 0.0006451500000000, 0.0047500400000000, 0.0016706600000000 ] - [ -0.0001677600000000, 0.0044858200000000, 0.0021910500000000 ] - [ 0.0001963700000000, 0.0052834700000000, 0.0019685700000000 ] - [ -0.0032654300000000, -0.0008186000000000, -0.0006688700000000 ] - [ -0.0044543700000000, -0.0009027500000000, -0.0019655000000000 ] - [ -0.0025874700000000, -0.0005100700000000, -0.0002138500000000 ] - [ -0.0026885700000000, -0.0026312900000000, -0.0009006500000000 ] - [ -0.0041586900000000, -0.0008241000000000, -0.0011175000000000 ] - [ -0.0033584100000000, -0.0008430900000000, -0.0010714600000000 ] - [ -0.0001973700000000, -0.0005672200000000, 0.0011903800000000 ] - [ -0.0005158700000000, -0.0008073700000000, 0.0016769100000000 ] - [ -0.0005479300000000, 0.0006139700000000, 0.0016499200000000 ] - [ -0.0000071300000000, -0.0011877300000000, 0.0012336400000000 ] - [ -0.0005751800000000, -0.0005032700000000, 0.0014206300000000 ] - [ -0.0002391200000000, -0.0008393400000000, 0.0013889000000000 ] - [ -0.0042018000000000, 0.0010393300000000, -0.0016150200000000 ] - [ -0.0032419900000000, 0.0008760400000000, -0.0004251200000000 ] - [ -0.0042897400000000, 0.0008423700000000, -0.0016520300000000 ] - [ -0.0033233700000000, 0.0008800300000000, -0.0006705000000000 ] - [ -0.0037169300000000, 0.0008871300000000, -0.0012586900000000 ] - [ -0.0035872100000000, 0.0008467800000000, -0.0005920400000000 ] - [ 0.0003066500000000, -0.0050072000000000, 0.0018579100000000 ] - [ -0.0008950200000000, -0.0010241800000000, 0.0031946900000000 ] - [ 0.0000600500000000, -0.0053037800000000, 0.0021324200000000 ] - [ 0.0002377600000000, -0.0044200300000000, 0.0016399300000000 ] - [ -0.0001110500000000, -0.0045287600000000, 0.0023641800000000 ] - [ 0.0000876900000000, -0.0053015100000000, 0.0019005900000000 ] - [ -0.0001466600000000, -0.0001142900000000, 0.0016251000000000 ] - [ 0.0000306900000000, -0.0001176300000000, 0.0017394600000000 ] - [ -0.0008476200000000, -0.0002244600000000, 0.0017243800000000 ] - [ -0.0000670700000000, -0.0001400000000000, 0.0016138400000000 ] - [ -0.0000700200000000, -0.0001426500000000, 0.0016123500000000 ] - [ -0.0006325500000000, -0.0000696400000000, 0.0018635000000000 ] - [ -0.0003693900000000, 0.0030924300000000, 0.0011408200000000 ] - [ -0.0001431100000000, 0.0007726100000000, 0.0013194200000000 ] - [ -0.0002674800000000, 0.0005725300000000, 0.0010543400000000 ] - [ -0.0001478100000000, 0.0015170900000000, 0.0013570700000000 ] - [ -0.0002001800000000, 0.0012645300000000, 0.0011350400000000 ] - [ -0.0004081900000000, 0.0008513300000000, 0.0015307000000000 ] - [ -0.0017603800000000, 0.0020796900000000, 0.0009605200000000 ] - [ 0.0007707200000000, 0.0001038200000000, 0.0018072500000000 ] - [ -0.0017407300000000, -0.0007200900000000, 0.0009714300000000 ] - [ 0.0006313100000000, 0.0002570600000000, 0.0017163200000000 ] - [ -0.0002842200000000, 0.0001868100000000, 0.0013346500000000 ] - [ -0.0006201000000000, 0.0003318800000000, 0.0019986600000000 ] - [ 0.0010662600000000, 0.0028400000000000, 0.0025522600000000 ] - [ 0.0006351500000000, 0.0010492500000000, -0.0009491200000000 ] - [ 0.1374770800000000, -0.0010155400000000, -0.0559476700000000 ] - [ 0.0002601800000000, 0.0014312100000000, -0.0009282400000000 ] - [ 0.0013810900000000, 0.0010169400000000, 0.0008256000000000 ] - [ 0.0011775100000000, 0.0040830000000000, -0.0068798300000000 ] - [ 0.0013138800000000, 0.0004419600000000, -0.0002745100000000 ] - [ 0.0006646900000000, -0.0027988700000000, -0.0023780500000000 ] - [ 0.0028600800000000, -0.0004559900000000, 0.0000374600000000 ] - [ 0.0009777900000000, -0.0013607600000000, -0.0011385200000000 ] - [ 0.0020082000000000, -0.0012828700000000, -0.0003759100000000 ] - [ 0.0018666700000000, -0.0010837000000000, -0.0015399000000000 ] - [ 0.0016585800000000, 0.0011482700000000, -0.0006161300000000 ] - [ 0.0019116000000000, 0.0011637900000000, -0.0015266200000000 ] - [ 0.0019546700000000, 0.0005683000000000, -0.0004243800000000 ] - [ 0.0012909900000000, 0.0015168400000000, -0.0012675700000000 ] - [ 0.0023572800000000, 0.0012842300000000, -0.0005302500000000 ] - [ 0.0015462900000000, 0.0013390000000000, -0.0011485000000000 ] - [ 0.0051198600000000, -0.0042769700000000, 0.0000876800000000 ] - [ 0.0009524300000000, -0.0013406000000000, -0.0009383700000000 ] - [ 0.0020513300000000, 0.0002920600000000, 0.0005068000000000 ] - [ 0.0008336300000000, -0.0023422000000000, -0.0016719200000000 ] - [ 0.0016402000000000, -0.0017635000000000, -0.0004920600000000 ] - [ 0.0020161100000000, -0.0015415300000000, -0.0013346900000000 ] - [ 0.0093312000000000, -0.0111087700000000, -0.0091371200000000 ] - [ 0.0010254100000000, 0.0002309800000000, -0.0032738600000000 ] - [ 0.0015076100000000, -0.0014637900000000, -0.0010341800000000 ] - [ 0.0018260200000000, 0.0020976800000000, -0.0031596600000000 ] - [ 0.0025753700000000, 0.0023486300000000, -0.0024135900000000 ] - [ 0.0020272600000000, -0.0006861200000000, -0.0042221500000000 ] - [ -0.0003209500000000, 0.0001300900000000, -0.0015679400000000 ] - [ -0.0051396100000000, 0.0018459800000000, -0.0088566700000000 ] - [ -0.0041352500000000, -0.0021665100000000, -0.0331481300000000 ] - [ -0.0010355000000000, 0.0001028800000000, -0.0034898600000000 ] - [ 0.0036188400000000, 0.0006425000000000, -0.0018782600000000 ] - [ 0.0020485400000000, -0.0006798200000000, -0.0047320000000000 ] - [ -0.0003221100000000, -0.0038656300000000, -0.0010567100000000 ] - [ 0.0002378800000000, 0.0012188000000000, -0.0040137900000000 ] - [ 0.0050170800000000, 0.0000444100000000, -0.0038107400000000 ] - [ 0.0012332600000000, 0.0000497500000000, -0.0028668400000000 ] - [ 0.0018352400000000, -0.0002572200000000, -0.0023247100000000 ] - [ 0.0040114400000000, -0.0001547700000000, -0.0044564700000000 ] - [ 0.0039941400000000, -0.0014383100000000, -0.0038606400000000 ] - [ 0.0017543200000000, 0.0001892600000000, -0.0033635100000000 ] - [ 0.0027101100000000, -0.0011053100000000, -0.0024617100000000 ] - [ 0.0016873900000000, -0.0001940200000000, -0.0030754300000000 ] - [ 0.0020147200000000, -0.0004641100000000, -0.0023014000000000 ] - [ 0.0028578200000000, 0.0005274600000000, -0.0038436900000000 ]- atom: 97 displacement: [ 0.0099992567053987, 0.0000000000000000, 0.0001219234987175 ] forces: - [ -0.0006079700000000, 0.0045031300000000, 0.0025053400000000 ] - [ -0.0001499600000000, 0.0016004700000000, 0.0027854900000000 ] - [ 0.0001281900000000, 0.0053901500000000, 0.0012982500000000 ] - [ -0.0003644700000000, 0.0039438100000000, 0.0030029200000000 ] - [ -0.0003914600000000, 0.0045943100000000, 0.0020901500000000 ] - [ 0.0013749100000000, 0.0042095100000000, 0.0004589200000000 ] - [ -0.0002877500000000, 0.0005873800000000, 0.0029446100000000 ] - [ -0.0046307500000000, -0.0009526900000000, -0.0018364500000000 ] - [ -0.0027521200000000, -0.0009297900000000, 0.0001783400000000 ] - [ -0.0044589300000000, -0.0007921200000000, -0.0021972500000000 ] - [ -0.0031294100000000, -0.0005000000000000, 0.0002766300000000 ] - [ -0.0048145000000000, -0.0015429100000000, -0.0038425600000000 ] - [ 0.0317700000000000, -0.0014245000000000, -0.0086668700000000 ] - [ -0.0009332500000000, -0.0008522000000000, 0.0016097700000000 ] - [ -0.0002539400000000, -0.0023758500000000, 0.0018719200000000 ] - [ -0.0008396200000000, 0.0017643000000000, 0.0009252900000000 ] - [ -0.0001572300000000, 0.0005647000000000, 0.0027539900000000 ] - [ -0.0007022000000000, -0.0013658900000000, 0.0011065600000000 ] - [ -0.0122202400000000, 0.0005853900000000, -0.0133392100000000 ] - [ -0.0051634800000000, 0.0012476800000000, 0.0020944300000000 ] - [ -0.0044921100000000, 0.0009836100000000, -0.0026580000000000 ] - [ -0.0036131100000000, 0.0009999900000000, 0.0004289100000000 ] - [ -0.0051277800000000, 0.0009974500000000, -0.0019170900000000 ] - [ 0.0172165700000000, -0.0003719300000000, 0.0212727900000000 ] - [ -0.0009507500000000, -0.0119399500000000, -0.0087723700000000 ] - [ -0.0014138300000000, -0.0036540700000000, 0.0031771600000000 ] - [ 0.0001589300000000, -0.0047735500000000, 0.0025348000000000 ] - [ 0.0007657400000000, -0.0048632600000000, -0.0004215900000000 ] - [ -0.0029438500000000, -0.0050488800000000, 0.0054882400000000 ] - [ -0.0046929400000000, -0.0010159800000000, 0.0010882300000000 ] - [ 0.0020459300000000, -0.0000188200000000, 0.0041961900000000 ] - [ -0.0050952100000000, -0.0003429200000000, 0.0001129300000000 ] - [ -0.0002509200000000, -0.0000255700000000, 0.0023400600000000 ] - [ -0.0044072200000000, -0.0001896200000000, 0.0000161200000000 ] - [ 0.1705828100000000, 0.0020716500000000, -0.0563743100000000 ] - [ -0.0037370600000000, -0.0001479200000000, 0.0014404200000000 ] - [ -0.0010085000000000, 0.0082385800000000, -0.0014791900000000 ] - [ -0.0009987500000000, -0.0001176100000000, 0.0018886800000000 ] - [ -0.0000043200000000, 0.0019945000000000, 0.0012170700000000 ] - [ -0.0001682400000000, 0.0005472700000000, 0.0006468500000000 ] - [ -0.0012619200000000, 0.0025679600000000, 0.0023429600000000 ] - [ -0.0024705800000000, -0.0028470700000000, -0.0004275900000000 ] - [ -0.0023816300000000, 0.0012154200000000, 0.0018651200000000 ] - [ -0.0009980200000000, -0.0001642800000000, 0.0019608100000000 ] - [ -0.0009404400000000, 0.0001872200000000, 0.0013526400000000 ] - [ -0.0002559300000000, 0.0002618900000000, 0.0016119300000000 ] - [ -0.0019480700000000, 0.0004720400000000, 0.0017542400000000 ] - [ 0.0010896700000000, -0.0011778100000000, 0.0014665600000000 ] - [ -0.0052196100000000, -0.0025247600000000, 0.0031462000000000 ] - [ -0.0012182700000000, 0.0051593300000000, 0.0031092700000000 ] - [ 0.0016855500000000, 0.0050111200000000, 0.0003418800000000 ] - [ -0.0001623400000000, 0.0045372500000000, 0.0020830800000000 ] - [ -0.0009503000000000, 0.0040801300000000, 0.0034988000000000 ] - [ 0.0003460000000000, 0.0081987300000000, -0.0009317100000000 ] - [ -0.0056510300000000, -0.0012825100000000, -0.0022432500000000 ] - [ -0.0034848600000000, 0.0013561400000000, 0.0021056800000000 ] - [ -0.0044891700000000, -0.0014182200000000, -0.0029324900000000 ] - [ -0.0037525500000000, -0.0007156800000000, -0.0004500800000000 ] - [ -0.0044952400000000, -0.0008698400000000, -0.0018354300000000 ] - [ -0.0021363600000000, -0.0002845400000000, 0.0016768400000000 ] - [ -0.0002636100000000, -0.0033257000000000, 0.0013799800000000 ] - [ -0.0010175700000000, 0.0006132800000000, 0.0020328000000000 ] - [ 0.0005282900000000, -0.0031639300000000, 0.0004140500000000 ] - [ -0.0005259400000000, -0.0004902900000000, 0.0015067100000000 ] - [ -0.0004671000000000, -0.0015795400000000, 0.0016141200000000 ] - [ -0.0001233100000000, -0.0002882800000000, 0.0010394300000000 ] - [ -0.0024199500000000, 0.0008635100000000, 0.0005486000000000 ] - [ -0.0042714400000000, 0.0008018500000000, -0.0015079800000000 ] - [ -0.0033624200000000, 0.0007804900000000, -0.0003645900000000 ] - [ -0.0040365100000000, 0.0008270600000000, -0.0018725500000000 ] - [ -0.0027653200000000, 0.0005609900000000, 0.0004788000000000 ] - [ -0.0043211200000000, 0.0007985400000000, -0.0018330000000000 ] - [ -0.0003180800000000, -0.0041475900000000, 0.0021083500000000 ] - [ -0.0000584800000000, -0.0052474500000000, 0.0026738600000000 ] - [ 0.0000823600000000, -0.0052813400000000, 0.0015384900000000 ] - [ 0.0000000500000000, -0.0044414000000000, 0.0023383500000000 ] - [ -0.0004694000000000, -0.0045575700000000, 0.0023971100000000 ] - [ 0.0011455200000000, -0.0097836300000000, 0.0011438700000000 ] - [ -0.0007187400000000, -0.0001441100000000, 0.0014422700000000 ] - [ -0.0006526200000000, -0.0002317000000000, 0.0017767000000000 ] - [ -0.0011188400000000, -0.0002328700000000, 0.0016140200000000 ] - [ 0.0001717500000000, -0.0003168500000000, 0.0014767300000000 ] - [ -0.0013545700000000, -0.0002997000000000, 0.0017670000000000 ] - [ -0.0001503400000000, -0.0002814200000000, 0.0017514700000000 ] - [ 0.0004079400000000, 0.0013092100000000, 0.0020102700000000 ] - [ -0.0007114400000000, 0.0001282800000000, 0.0014433900000000 ] - [ -0.0004016000000000, 0.0005266400000000, 0.0017488700000000 ] - [ -0.0004255300000000, 0.0004902800000000, 0.0009660100000000 ] - [ -0.0004694900000000, -0.0022413500000000, 0.0021359200000000 ] - [ -0.0007129100000000, 0.0011915200000000, 0.0014584400000000 ] - [ 0.0060419600000000, 0.0009272000000000, 0.0020060600000000 ] - [ -0.0023841000000000, 0.0001758200000000, 0.0014975200000000 ] - [ -0.0000606600000000, 0.0002512200000000, 0.0021788200000000 ] - [ -0.0014629400000000, 0.0001958700000000, 0.0008324200000000 ] - [ 0.0017151900000000, -0.0016253000000000, 0.0028164600000000 ] - [ -0.0029988400000000, 0.0004750500000000, 0.0012483600000000 ] - [ -0.2708088300000000, -0.0034987400000000, 0.0100583200000000 ] - [ 0.0045251500000000, 0.0015094500000000, -0.0009824000000000 ] - [ 0.0010408100000000, 0.0022573500000000, -0.0053775800000000 ] - [ 0.0042578500000000, -0.0008125200000000, 0.0045300500000000 ] - [ 0.0010162100000000, 0.0007820100000000, -0.0050258200000000 ] - [ 0.0043108500000000, 0.0015823800000000, -0.0000099300000000 ] - [ 0.0023594400000000, -0.0084149200000000, -0.0039905200000000 ] - [ 0.0027462100000000, -0.0007798800000000, -0.0006186500000000 ] - [ 0.0018489200000000, -0.0018437400000000, -0.0019438200000000 ] - [ 0.0018236700000000, -0.0009594000000000, 0.0001896600000000 ] - [ 0.0027661400000000, -0.0036437400000000, -0.0024505900000000 ] - [ 0.0023055100000000, 0.0037091500000000, 0.0018543100000000 ] - [ 0.0021747200000000, 0.0026769100000000, -0.0023838200000000 ] - [ 0.0021591400000000, 0.0007067600000000, -0.0004253100000000 ] - [ 0.0016743900000000, 0.0024269600000000, -0.0020957800000000 ] - [ 0.0022189400000000, 0.0012555300000000, -0.0006806300000000 ] - [ 0.0022299300000000, 0.0018779900000000, -0.0016876200000000 ] - [ 0.0016524900000000, 0.0014061600000000, -0.0000083500000000 ] - [ -0.0026137900000000, -0.0044701000000000, -0.0056121200000000 ] - [ 0.0038910100000000, -0.0004452300000000, 0.0001816800000000 ] - [ 0.0016791700000000, -0.0012118900000000, -0.0019407200000000 ] - [ 0.0029683800000000, -0.0011786300000000, 0.0010889200000000 ] - [ -0.0026463800000000, 0.0031625500000000, -0.0054802000000000 ] - [ 0.0039013400000000, -0.0015891300000000, -0.0008387800000000 ] - [ 0.0019908300000000, 0.0020586100000000, -0.0054295200000000 ] - [ 0.0053331900000000, -0.0025085600000000, -0.0020775400000000 ] - [ 0.0017623900000000, -0.0021878600000000, -0.0041928500000000 ] - [ 0.0044636100000000, 0.0006540600000000, -0.0009109900000000 ] - [ -0.0090111400000000, 0.0105712300000000, 0.0002028200000000 ] - [ 0.0049845700000000, -0.0003583200000000, -0.0028624600000000 ] - [ 0.0610555700000000, 0.0022316700000000, 0.0324771300000000 ] - [ 0.0101735100000000, 0.0007532100000000, -0.0038791900000000 ] - [ -0.0021848500000000, -0.0021564600000000, -0.0010613800000000 ] - [ 0.0035002900000000, 0.0012677900000000, -0.0009153400000000 ] - [ 0.0053958500000000, -0.0005784600000000, -0.0060746900000000 ] - [ 0.0232953200000000, -0.0020179200000000, 0.0201803300000000 ] - [ -0.0022443200000000, 0.0098646400000000, 0.0014149200000000 ] - [ 0.0044883200000000, -0.0014435200000000, -0.0038045300000000 ] - [ 0.0028858200000000, 0.0004345900000000, -0.0035194000000000 ] - [ 0.0005097800000000, -0.0020179500000000, -0.0003149100000000 ] - [ 0.0071823800000000, 0.0047063100000000, -0.0079169000000000 ] - [ 0.0070495800000000, -0.0064591400000000, -0.0031016000000000 ] - [ 0.0008030600000000, 0.0015049200000000, -0.0049167600000000 ] - [ 0.0043707600000000, 0.0007505000000000, -0.0032238000000000 ] - [ 0.0026014700000000, 0.0009166900000000, -0.0044199900000000 ] - [ 0.0032054500000000, 0.0001293200000000, -0.0017787900000000 ] - [ 0.0003004200000000, 0.0026763100000000, -0.0032334000000000 ] - [ 0.0039705300000000, 0.0001259200000000, -0.0025402000000000 ]- atom: 97 displacement: [ -0.0099992567053987, 0.0000000000000000, -0.0001219234987175 ] forces: - [ 0.0005893400000000, 0.0050174900000000, 0.0017369400000000 ] - [ 0.0001165700000000, 0.0078138300000000, 0.0014862300000000 ] - [ -0.0001417700000000, 0.0041365300000000, 0.0029351700000000 ] - [ 0.0003433800000000, 0.0055699400000000, 0.0012469900000000 ] - [ 0.0003723500000000, 0.0049232000000000, 0.0021514000000000 ] - [ -0.0013667800000000, 0.0053080500000000, 0.0037487200000000 ] - [ -0.0069673000000000, -0.0022657300000000, -0.0047445200000000 ] - [ -0.0026785400000000, -0.0007338200000000, -0.0000160300000000 ] - [ -0.0045438200000000, -0.0007587000000000, -0.0020154000000000 ] - [ -0.0028496400000000, -0.0008943900000000, 0.0003370400000000 ] - [ -0.0041657500000000, -0.0011829500000000, -0.0021129300000000 ] - [ -0.0024998800000000, -0.0001448400000000, 0.0019746900000000 ] - [ -0.0319857900000000, 0.0002937900000000, 0.0112206700000000 ] - [ 0.0002515700000000, -0.0008748800000000, 0.0012153800000000 ] - [ -0.0004283000000000, 0.0006584500000000, 0.0009553300000000 ] - [ 0.0001572600000000, -0.0034725200000000, 0.0018941100000000 ] - [ -0.0005160500000000, -0.0022812800000000, 0.0000835500000000 ] - [ 0.0000211200000000, -0.0003757400000000, 0.0017152600000000 ] - [ 0.0048489200000000, 0.0011052200000000, 0.0113537700000000 ] - [ -0.0021522000000000, 0.0004396300000000, -0.0039508100000000 ] - [ -0.0028268000000000, 0.0007050700000000, 0.0007854900000000 ] - [ -0.0036912300000000, 0.0006886200000000, -0.0022737000000000 ] - [ -0.0021822800000000, 0.0006906700000000, 0.0000667300000000 ] - [ -0.0242759600000000, 0.0021514100000000, -0.0233904000000000 ] - [ 0.0009150200000000, 0.0023522600000000, 0.0129239000000000 ] - [ 0.0014000000000000, -0.0058679700000000, 0.0010642300000000 ] - [ -0.0001757600000000, -0.0047481200000000, 0.0017080900000000 ] - [ -0.0007759100000000, -0.0046631000000000, 0.0046405200000000 ] - [ 0.0028997800000000, -0.0044848600000000, -0.0012100100000000 ] - [ 0.0046512200000000, -0.0084877300000000, 0.0032015600000000 ] - [ -0.0029170100000000, -0.0003353500000000, -0.0008464500000000 ] - [ 0.0042098600000000, -0.0000190700000000, 0.0032168600000000 ] - [ -0.0005879600000000, -0.0003334200000000, 0.0010070300000000 ] - [ 0.0034727200000000, -0.0001642800000000, 0.0033054400000000 ] - [ -0.1591450600000000, -0.0014541800000000, 0.0569705400000000 ] - [ 0.0028822200000000, -0.0002117600000000, 0.0019058000000000 ] - [ 0.0003262500000000, -0.0064260000000000, 0.0042801600000000 ] - [ 0.0003207200000000, 0.0018552600000000, 0.0009340500000000 ] - [ -0.0006716800000000, -0.0002515200000000, 0.0016046700000000 ] - [ -0.0005066200000000, 0.0011853500000000, 0.0021661800000000 ] - [ 0.0005743500000000, -0.0008173500000000, 0.0004890100000000 ] - [ 0.0017736100000000, 0.0045705700000000, 0.0032710200000000 ] - [ 0.0015237100000000, -0.0008468500000000, 0.0014849500000000 ] - [ 0.0001349400000000, 0.0005260200000000, 0.0013837500000000 ] - [ 0.0000867400000000, 0.0001732900000000, 0.0019902500000000 ] - [ -0.0005920600000000, 0.0000997900000000, 0.0017302200000000 ] - [ 0.0010886400000000, -0.0001083500000000, 0.0015917800000000 ] - [ -0.0019556700000000, 0.0015213100000000, 0.0018640300000000 ] - [ 0.0051909400000000, 0.0120149400000000, 0.0011098600000000 ] - [ 0.0011993000000000, 0.0043591600000000, 0.0011398500000000 ] - [ -0.0016862700000000, 0.0045103300000000, 0.0038853800000000 ] - [ 0.0001498400000000, 0.0049823100000000, 0.0021513100000000 ] - [ 0.0009282300000000, 0.0054338100000000, 0.0007519400000000 ] - [ -0.0003731000000000, 0.0013623400000000, 0.0051453000000000 ] - [ -0.0016601000000000, -0.0004089200000000, 0.0003878800000000 ] - [ -0.0038119000000000, -0.0030498600000000, -0.0039531700000000 ] - [ -0.0028209700000000, -0.0002744800000000, 0.0010653600000000 ] - [ -0.0035506900000000, -0.0009723200000000, -0.0013999600000000 ] - [ -0.0028115900000000, -0.0008171400000000, -0.0000166100000000 ] - [ -0.0051553600000000, -0.0013960900000000, -0.0035178800000000 ] - [ -0.0004130200000000, 0.0015730400000000, 0.0014424100000000 ] - [ 0.0003382900000000, -0.0023496400000000, 0.0007918400000000 ] - [ -0.0011984900000000, 0.0014091400000000, 0.0024004300000000 ] - [ -0.0001516100000000, -0.0012433500000000, 0.0013138800000000 ] - [ -0.0002108500000000, -0.0001597900000000, 0.0012098600000000 ] - [ -0.0005537200000000, -0.0014410400000000, 0.0017807900000000 ] - [ -0.0048695000000000, 0.0008228600000000, -0.0023788100000000 ] - [ -0.0030348300000000, 0.0008848900000000, -0.0003445400000000 ] - [ -0.0039369400000000, 0.0009055500000000, -0.0014784600000000 ] - [ -0.0032707000000000, 0.0008599000000000, 0.0000136100000000 ] - [ -0.0045250400000000, 0.0011234700000000, -0.0023126700000000 ] - [ -0.0029873500000000, 0.0008870300000000, -0.0000201000000000 ] - [ 0.0003011100000000, -0.0053681300000000, 0.0021312000000000 ] - [ 0.0000358400000000, -0.0042778000000000, 0.0015800000000000 ] - [ -0.0000974800000000, -0.0042439400000000, 0.0026984900000000 ] - [ -0.0000119100000000, -0.0050777500000000, 0.0018986200000000 ] - [ 0.0004508000000000, -0.0049609800000000, 0.0018456400000000 ] - [ -0.0011470800000000, 0.0001745900000000, 0.0030793300000000 ] - [ -0.0001324200000000, -0.0002157400000000, 0.0019015000000000 ] - [ -0.0002005300000000, -0.0001289900000000, 0.0015676600000000 ] - [ 0.0002653900000000, -0.0001279200000000, 0.0017309300000000 ] - [ -0.0010219000000000, -0.0000450500000000, 0.0018633900000000 ] - [ 0.0005034500000000, -0.0000611400000000, 0.0015790300000000 ] - [ -0.0007116200000000, -0.0000819900000000, 0.0015931500000000 ] - [ -0.0010934200000000, 0.0003988600000000, 0.0008233200000000 ] - [ 0.0000316700000000, 0.0015966200000000, 0.0013798200000000 ] - [ -0.0002761100000000, 0.0011971100000000, 0.0010754200000000 ] - [ -0.0002532600000000, 0.0012391300000000, 0.0018535500000000 ] - [ -0.0002068600000000, 0.0039576900000000, 0.0006905800000000 ] - [ 0.0000333100000000, 0.0005385000000000, 0.0013655300000000 ] - [ -0.0068703900000000, -0.0005461800000000, 0.0013509200000000 ] - [ 0.0015253600000000, 0.0001832900000000, 0.0018461500000000 ] - [ -0.0007843500000000, 0.0001076900000000, 0.0011678900000000 ] - [ 0.0006012300000000, 0.0001643200000000, 0.0025030600000000 ] - [ -0.0025324500000000, 0.0019736400000000, 0.0005302400000000 ] - [ 0.0021444400000000, -0.0001149800000000, 0.0020963000000000 ] - [ 0.2609576800000000, 0.0043995500000000, -0.0091132200000000 ] - [ -0.0007652200000000, 0.0012615000000000, -0.0010913100000000 ] - [ 0.0027286500000000, 0.0005037200000000, 0.0033371100000000 ] - [ -0.0004827900000000, 0.0035614600000000, -0.0065158100000000 ] - [ 0.0027131300000000, 0.0019895700000000, 0.0029303400000000 ] - [ -0.0005395700000000, 0.0011975200000000, -0.0020606900000000 ] - [ 0.0013854100000000, 0.0055703500000000, 0.0018801600000000 ] - [ 0.0010120300000000, -0.0019992400000000, -0.0014558400000000 ] - [ 0.0018990700000000, -0.0009353700000000, -0.0001405300000000 ] - [ 0.0019258600000000, -0.0018108000000000, -0.0022494500000000 ] - [ 0.0009873500000000, 0.0008444300000000, 0.0003635500000000 ] - [ 0.0014736700000000, -0.0064773100000000, -0.0039102600000000 ] - [ 0.0015704100000000, 0.0001084900000000, 0.0002959200000000 ] - [ 0.0016022400000000, 0.0020713000000000, -0.0016489600000000 ] - [ 0.0020721200000000, 0.0003583900000000, 0.0000078400000000 ] - [ 0.0015337600000000, 0.0015188000000000, -0.0013894800000000 ] - [ 0.0015203300000000, 0.0009002800000000, -0.0003919600000000 ] - [ 0.0021010500000000, 0.0013704100000000, -0.0020544400000000 ] - [ 0.0063698000000000, 0.0017141500000000, 0.0035492100000000 ] - [ -0.0001314500000000, -0.0023187400000000, -0.0022475700000000 ] - [ 0.0020659100000000, -0.0015546300000000, -0.0001327700000000 ] - [ 0.0007926200000000, -0.0015941200000000, -0.0031438700000000 ] - [ 0.0063396500000000, -0.0059395500000000, 0.0033947800000000 ] - [ -0.0001460600000000, -0.0011831400000000, -0.0012338700000000 ] - [ 0.0031348500000000, -0.0024457000000000, -0.0010925600000000 ] - [ -0.0002172700000000, 0.0020997200000000, -0.0044004400000000 ] - [ 0.0033199200000000, 0.0017726000000000, -0.0022922700000000 ] - [ 0.0006474100000000, -0.0010324700000000, -0.0055578800000000 ] - [ 0.0139386900000000, -0.0106684100000000, -0.0065813900000000 ] - [ 0.0001276900000000, -0.0000354900000000, -0.0036241700000000 ] - [ -0.0552828600000000, -0.0017782600000000, -0.0387279300000000 ] - [ -0.0050928700000000, -0.0003655900000000, -0.0026233700000000 ] - [ 0.0072584400000000, 0.0025219100000000, -0.0054159200000000 ] - [ 0.0015999200000000, -0.0008757800000000, -0.0055374500000000 ] - [ -0.0002766000000000, 0.0009588200000000, -0.0004398800000000 ] - [ -0.0178577900000000, 0.0023810100000000, -0.0266277100000000 ] - [ 0.0072978400000000, -0.0101642000000000, -0.0078664600000000 ] - [ 0.0006140400000000, 0.0010598900000000, -0.0026764600000000 ] - [ 0.0022117600000000, -0.0008158400000000, -0.0029688400000000 ] - [ 0.0045719500000000, 0.0016130400000000, -0.0061313400000000 ] - [ -0.0020607700000000, -0.0050475100000000, 0.0014014700000000 ] - [ -0.0019499200000000, 0.0060704700000000, -0.0034008900000000 ] - [ 0.0043020500000000, -0.0010643700000000, -0.0016053300000000 ] - [ 0.0007347200000000, -0.0003588000000000, -0.0032632600000000 ] - [ 0.0024961900000000, -0.0005177000000000, -0.0020740600000000 ] - [ 0.0018970900000000, 0.0002574200000000, -0.0046949500000000 ] - [ 0.0047654300000000, -0.0022653100000000, -0.0032338100000000 ] - [ 0.0011365900000000, 0.0002655500000000, -0.0039444700000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001090800000000, 0.0044972300000000, 0.0021620300000000 ] - [ -0.0015829600000000, -0.0013479900000000, 0.0045405600000000 ] - [ 0.0000769100000000, 0.0043854500000000, 0.0023882500000000 ] - [ -0.0012872300000000, 0.0024806800000000, 0.0040588100000000 ] - [ -0.0003310600000000, 0.0043372700000000, 0.0023325600000000 ] - [ 0.0023884500000000, 0.0033172700000000, -0.0015413400000000 ] - [ 0.0011966800000000, -0.0031692800000000, 0.0033928600000000 ] - [ -0.0044597300000000, -0.0008477700000000, -0.0014870300000000 ] - [ -0.0025297200000000, -0.0011270700000000, 0.0019314100000000 ] - [ -0.0034292400000000, -0.0006750500000000, -0.0004689600000000 ] - [ -0.0031596300000000, -0.0006032500000000, -0.0004428900000000 ] - [ -0.0055315900000000, -0.0009852300000000, -0.0037351900000000 ] - [ 0.0107811800000000, 0.2313447000000000, -0.0149366700000000 ] - [ -0.0004632500000000, -0.0001470800000000, 0.0015269000000000 ] - [ -0.0007873800000000, 0.0020626500000000, 0.0021067000000000 ] - [ -0.0003855100000000, 0.0011383200000000, 0.0016510800000000 ] - [ -0.0003891500000000, 0.0015477300000000, 0.0014717800000000 ] - [ -0.0004749600000000, 0.0011348600000000, 0.0015413900000000 ] - [ -0.0068451200000000, 0.0012123700000000, -0.0058909000000000 ] - [ -0.0029903300000000, 0.0027510800000000, -0.0019860100000000 ] - [ -0.0024421800000000, 0.0010722500000000, 0.0001474700000000 ] - [ -0.0040179600000000, 0.0013162800000000, -0.0009841900000000 ] - [ -0.0038190200000000, 0.0010324200000000, -0.0011932900000000 ] - [ -0.0030052100000000, 0.0282604300000000, 0.0018238500000000 ] - [ -0.0007964900000000, -0.0050106600000000, 0.0001314100000000 ] - [ 0.0000066400000000, -0.0045398700000000, 0.0020826300000000 ] - [ 0.0002127100000000, -0.0045968300000000, 0.0019805000000000 ] - [ -0.0005430800000000, -0.0046958300000000, 0.0027796700000000 ] - [ -0.0005232600000000, -0.0046447200000000, 0.0028854700000000 ] - [ 0.0021917900000000, -0.0050212600000000, 0.0019326300000000 ] - [ 0.0008009200000000, 0.0017294000000000, 0.0007485800000000 ] - [ -0.0017132200000000, -0.0000131600000000, 0.0012298200000000 ] - [ -0.0007603100000000, 0.0002950900000000, 0.0018874200000000 ] - [ 0.0057526700000000, 0.0002112200000000, 0.0025161700000000 ] - [ -0.0035508300000000, 0.0271672700000000, 0.0024064100000000 ] - [ -0.0004787900000000, 0.0000504100000000, 0.0015839600000000 ] - [ 0.0032515200000000, 0.0045324600000000, 0.0018215000000000 ] - [ -0.0003252900000000, 0.0025964800000000, 0.0011135600000000 ] - [ -0.0000216700000000, 0.0028144700000000, 0.0012204200000000 ] - [ -0.0002996000000000, 0.0023281700000000, 0.0011917000000000 ] - [ -0.0001930100000000, 0.0021314200000000, 0.0013128800000000 ] - [ -0.0021275900000000, 0.0045841800000000, -0.0017405400000000 ] - [ 0.0031199500000000, 0.0000523000000000, 0.0022986000000000 ] - [ -0.0036797100000000, -0.0001127200000000, 0.0017255800000000 ] - [ -0.0003229100000000, 0.0001875300000000, 0.0020989400000000 ] - [ -0.0009518600000000, 0.0004428500000000, 0.0014524900000000 ] - [ -0.0004021200000000, 0.0003254000000000, 0.0017165200000000 ] - [ -0.0062648700000000, -0.0021741100000000, -0.0010282500000000 ] - [ 0.0001454800000000, 0.0047855700000000, 0.0030109200000000 ] - [ 0.0012789200000000, 0.0058034900000000, 0.0012637700000000 ] - [ 0.0002690100000000, 0.0057330900000000, 0.0006414700000000 ] - [ -0.0001847200000000, 0.0048009800000000, 0.0023558800000000 ] - [ -0.0000632800000000, 0.0049334300000000, 0.0022529900000000 ] - [ -0.0008536800000000, 0.0048159000000000, 0.0022144300000000 ] - [ -0.0041317600000000, -0.0010110100000000, -0.0015625500000000 ] - [ -0.0008634200000000, -0.0033765700000000, -0.0025284800000000 ] - [ -0.0044569700000000, -0.0010478000000000, -0.0023930400000000 ] - [ -0.0036466300000000, -0.0009448600000000, -0.0013098400000000 ] - [ -0.0033017500000000, -0.0009505500000000, -0.0006984100000000 ] - [ -0.0036778500000000, -0.0016218800000000, 0.0009601900000000 ] - [ -0.0002382300000000, -0.0026666900000000, 0.0011834600000000 ] - [ 0.0001188300000000, -0.0030057900000000, 0.0010314700000000 ] - [ -0.0001656000000000, -0.0030688700000000, 0.0008375800000000 ] - [ -0.0003341500000000, -0.0016948500000000, 0.0013135000000000 ] - [ -0.0002284800000000, -0.0017063100000000, 0.0013434100000000 ] - [ -0.0001619000000000, -0.0027481900000000, 0.0011841000000000 ] - [ -0.0029753300000000, -0.0000412900000000, 0.0004984700000000 ] - [ -0.0036792100000000, 0.0006533200000000, -0.0008892400000000 ] - [ -0.0033125900000000, 0.0005856700000000, -0.0004040800000000 ] - [ -0.0037675500000000, 0.0005473300000000, -0.0011247000000000 ] - [ -0.0026905300000000, 0.0002233400000000, -0.0001887800000000 ] - [ -0.0038715800000000, 0.0004052100000000, -0.0008208500000000 ] - [ 0.0001078600000000, -0.0049606900000000, 0.0021218900000000 ] - [ -0.0002137800000000, -0.0077077800000000, 0.0024339200000000 ] - [ -0.0000240700000000, -0.0051178400000000, 0.0020239600000000 ] - [ 0.0001536300000000, -0.0052491700000000, 0.0018744300000000 ] - [ -0.0000391000000000, -0.0049868300000000, 0.0021151700000000 ] - [ 0.0018283800000000, -0.0170525900000000, -0.0007132700000000 ] - [ -0.0005007500000000, -0.0006323800000000, 0.0018914300000000 ] - [ -0.0010136100000000, -0.0004336800000000, 0.0015718900000000 ] - [ -0.0004216300000000, -0.0003861000000000, 0.0017314300000000 ] - [ -0.0015067800000000, -0.0008103100000000, 0.0010905300000000 ] - [ -0.0001462500000000, -0.0004434500000000, 0.0017004600000000 ] - [ -0.0020025400000000, -0.0010636000000000, 0.0016179500000000 ] - [ -0.0008833800000000, -0.0058406900000000, 0.0022430700000000 ] - [ -0.0004705100000000, 0.0000551100000000, 0.0015670700000000 ] - [ -0.0005437400000000, -0.0006293500000000, 0.0017264400000000 ] - [ -0.0004760800000000, -0.0004086500000000, 0.0015599100000000 ] - [ -0.0014420800000000, -0.0050532400000000, 0.0030949000000000 ] - [ -0.0003578300000000, -0.0000989600000000, 0.0015527900000000 ] - [ 0.0000231400000000, -0.0023417000000000, -0.0014887200000000 ] - [ -0.0005653600000000, 0.0000880400000000, 0.0016343500000000 ] - [ 0.0000308100000000, 0.0000838400000000, 0.0015207200000000 ] - [ -0.0001564400000000, -0.0000330500000000, 0.0016619100000000 ] - [ -0.0023801300000000, -0.0005934000000000, 0.0024191300000000 ] - [ 0.0015649300000000, 0.0000046700000000, 0.0018285600000000 ] - [ -0.0012028600000000, -0.3281539400000000, 0.0035495900000000 ] - [ 0.0019934100000000, 0.0007267500000000, -0.0008865400000000 ] - [ 0.0012630100000000, -0.0013526500000000, -0.0002883500000000 ] - [ 0.0020403600000000, -0.0005941400000000, 0.0008577100000000 ] - [ 0.0027513400000000, -0.0013467900000000, -0.0021539000000000 ] - [ -0.0003016500000000, -0.0005941600000000, -0.0002572500000000 ] - [ -0.0031347200000000, -0.0002003300000000, -0.0064056100000000 ] - [ 0.0041132900000000, -0.0024513900000000, -0.0013238900000000 ] - [ 0.0014796200000000, -0.0026575900000000, -0.0032822800000000 ] - [ 0.0023204400000000, -0.0026529200000000, -0.0007422000000000 ] - [ 0.0012692400000000, -0.0024469900000000, -0.0012604100000000 ] - [ 0.0088084500000000, -0.0002008400000000, 0.0013146000000000 ] - [ 0.0012075600000000, 0.0033980500000000, -0.0018381600000000 ] - [ 0.0031573100000000, 0.0033999700000000, -0.0016130700000000 ] - [ 0.0019148500000000, 0.0034740400000000, -0.0024526500000000 ] - [ 0.0023611000000000, 0.0021511100000000, -0.0011294600000000 ] - [ 0.0017506400000000, 0.0021511900000000, -0.0015392000000000 ] - [ 0.0028987000000000, 0.0034723000000000, -0.0007780700000000 ] - [ -0.0027845300000000, 0.0057748200000000, 0.0060711800000000 ] - [ 0.0020716700000000, -0.0006372600000000, -0.0007298900000000 ] - [ 0.0017006500000000, -0.0003902900000000, -0.0007928400000000 ] - [ 0.0016582700000000, -0.0002669500000000, -0.0002100500000000 ] - [ 0.0050401400000000, 0.0057424800000000, -0.0057634500000000 ] - [ 0.0009332900000000, -0.0006345300000000, -0.0007176100000000 ] - [ 0.0076076600000000, 0.0037809200000000, -0.0108592400000000 ] - [ 0.0011001400000000, -0.0010092500000000, -0.0049853000000000 ] - [ 0.0020340300000000, -0.0023275100000000, -0.0025168300000000 ] - [ 0.0042231000000000, -0.0008657600000000, -0.0030677500000000 ] - [ -0.0097767900000000, 0.0499422700000000, 0.0156120700000000 ] - [ 0.0032956100000000, -0.0005035300000000, -0.0031750300000000 ] - [ 0.0097312100000000, -0.0026832000000000, 0.0056994700000000 ] - [ 0.0022077600000000, -0.0031526600000000, -0.0021383300000000 ] - [ 0.0007887200000000, -0.0031280300000000, -0.0028429000000000 ] - [ 0.0034140200000000, -0.0009236100000000, -0.0032280000000000 ] - [ 0.0029886200000000, -0.0010331300000000, -0.0035191000000000 ] - [ -0.0088787100000000, -0.0027666800000000, -0.0061680500000000 ] - [ 0.0069569200000000, 0.0026850700000000, 0.0017994800000000 ] - [ 0.0024119100000000, 0.0003836200000000, -0.0028146300000000 ] - [ 0.0019117000000000, 0.0004121200000000, -0.0028815400000000 ] - [ 0.0015544300000000, 0.0012409800000000, -0.0043707300000000 ] - [ 0.0043931700000000, 0.0011517300000000, -0.0026368500000000 ] - [ -0.0040907200000000, 0.0026506700000000, -0.0052935400000000 ] - [ 0.0045113000000000, 0.0099209600000000, -0.0062562600000000 ] - [ 0.0024833400000000, 0.0011201600000000, -0.0034525500000000 ] - [ 0.0029103500000000, 0.0031003700000000, -0.0038190900000000 ] - [ 0.0027540400000000, 0.0016320600000000, -0.0034426200000000 ] - [ 0.0007829400000000, 0.0057998100000000, -0.0005115200000000 ] - [ 0.0028194700000000, 0.0014440500000000, -0.0034681800000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000956200000000, 0.0050216300000000, 0.0020765600000000 ] - [ 0.0015714200000000, 0.0108928300000000, -0.0003061900000000 ] - [ -0.0000932200000000, 0.0051291500000000, 0.0018519100000000 ] - [ 0.0012708500000000, 0.0070399100000000, 0.0001829800000000 ] - [ 0.0003157300000000, 0.0051781200000000, 0.0019084500000000 ] - [ -0.0024310500000000, 0.0062101700000000, 0.0058237100000000 ] - [ -0.0085244300000000, 0.0014803400000000, -0.0052937800000000 ] - [ -0.0028362900000000, -0.0008408300000000, -0.0003558300000000 ] - [ -0.0047821500000000, -0.0005592200000000, -0.0038040400000000 ] - [ -0.0038729500000000, -0.0010159800000000, -0.0013818400000000 ] - [ -0.0041489600000000, -0.0010884900000000, -0.0014129600000000 ] - [ -0.0017623600000000, -0.0007054500000000, 0.0018996700000000 ] - [ -0.0131232000000000, -0.2490738300000000, 0.0202572000000000 ] - [ -0.0002114000000000, -0.0015914300000000, 0.0012935300000000 ] - [ 0.0001146500000000, -0.0038153400000000, 0.0007082300000000 ] - [ -0.0002893500000000, -0.0029012900000000, 0.0011688100000000 ] - [ -0.0002841800000000, -0.0033129600000000, 0.0013448300000000 ] - [ -0.0002031600000000, -0.0028961900000000, 0.0012787900000000 ] - [ -0.0003804500000000, 0.0004797100000000, 0.0041500500000000 ] - [ -0.0043010700000000, -0.0010592900000000, 0.0001384600000000 ] - [ -0.0048905700000000, 0.0006154600000000, -0.0020258600000000 ] - [ -0.0032796500000000, 0.0003672700000000, -0.0008684400000000 ] - [ -0.0034806000000000, 0.0006539400000000, -0.0006511300000000 ] - [ -0.0043838800000000, -0.0268072700000000, -0.0033297700000000 ] - [ 0.0007686700000000, -0.0044493800000000, 0.0041628300000000 ] - [ -0.0000190000000000, -0.0049767900000000, 0.0021558500000000 ] - [ -0.0002319700000000, -0.0049171100000000, 0.0022593400000000 ] - [ 0.0005326600000000, -0.0048093200000000, 0.0014503000000000 ] - [ 0.0005192600000000, -0.0048630400000000, 0.0013446900000000 ] - [ -0.0022521600000000, -0.0044394800000000, 0.0023420800000000 ] - [ -0.0016679000000000, -0.0020846500000000, 0.0025842200000000 ] - [ 0.0008980400000000, -0.0003469400000000, 0.0021255900000000 ] - [ -0.0000745300000000, -0.0006588400000000, 0.0014533600000000 ] - [ -0.0067376200000000, -0.0005663200000000, 0.0008034100000000 ] - [ 0.0024187500000000, -0.0277561400000000, 0.0011546400000000 ] - [ -0.0003647800000000, -0.0004106700000000, 0.0017631200000000 ] - [ -0.0039695300000000, -0.0028545500000000, 0.0010085300000000 ] - [ -0.0003503900000000, -0.0008765000000000, 0.0017107800000000 ] - [ -0.0006595200000000, -0.0010968100000000, 0.0016023600000000 ] - [ -0.0003756100000000, -0.0006129800000000, 0.0016291700000000 ] - [ -0.0004824000000000, -0.0004139200000000, 0.0015065000000000 ] - [ 0.0014591900000000, -0.0029058200000000, 0.0046038400000000 ] - [ -0.0039863300000000, 0.0003041100000000, 0.0010427500000000 ] - [ 0.0028551200000000, 0.0004740400000000, 0.0016179100000000 ] - [ -0.0005327900000000, 0.0001703500000000, 0.0012424300000000 ] - [ 0.0001137900000000, -0.0000877100000000, 0.0018950300000000 ] - [ -0.0004451100000000, 0.0000317300000000, 0.0016273900000000 ] - [ 0.0054716200000000, 0.0025328000000000, 0.0043749200000000 ] - [ -0.0001592700000000, 0.0047716100000000, 0.0012176200000000 ] - [ -0.0012876700000000, 0.0037288400000000, 0.0029831200000000 ] - [ -0.0002934300000000, 0.0038016200000000, 0.0035950600000000 ] - [ 0.0001753400000000, 0.0047304500000000, 0.0018786400000000 ] - [ 0.0000505200000000, 0.0045953500000000, 0.0019816400000000 ] - [ 0.0008473900000000, 0.0047404300000000, 0.0020213900000000 ] - [ -0.0031702900000000, -0.0006724800000000, -0.0002900800000000 ] - [ -0.0064118200000000, 0.0016948300000000, 0.0006781400000000 ] - [ -0.0028538300000000, -0.0006335600000000, 0.0005333200000000 ] - [ -0.0036490500000000, -0.0007405200000000, -0.0005356000000000 ] - [ -0.0040001300000000, -0.0007336500000000, -0.0011487500000000 ] - [ -0.0036150700000000, -0.0000600800000000, -0.0027742200000000 ] - [ -0.0004438400000000, 0.0009474200000000, 0.0016402700000000 ] - [ -0.0007943600000000, 0.0012837600000000, 0.0017978200000000 ] - [ -0.0005191600000000, 0.0013474500000000, 0.0019860300000000 ] - [ -0.0003425900000000, -0.0000310100000000, 0.0015103300000000 ] - [ -0.0004505300000000, -0.0000194900000000, 0.0014793400000000 ] - [ -0.0005152200000000, 0.0010297800000000, 0.0016433200000000 ] - [ -0.0043373800000000, 0.0017281300000000, -0.0023633400000000 ] - [ -0.0036208900000000, 0.0010340600000000, -0.0009579700000000 ] - [ -0.0039935100000000, 0.0011016700000000, -0.0014509300000000 ] - [ -0.0035319400000000, 0.0011396900000000, -0.0007185000000000 ] - [ -0.0046235400000000, 0.0014654500000000, -0.0016711400000000 ] - [ -0.0034255300000000, 0.0012815700000000, -0.0010200200000000 ] - [ -0.0001223800000000, -0.0045674300000000, 0.0021161600000000 ] - [ 0.0002053200000000, -0.0018163700000000, 0.0017957800000000 ] - [ 0.0000092300000000, -0.0044093100000000, 0.0022152500000000 ] - [ -0.0001727700000000, -0.0042773200000000, 0.0023718500000000 ] - [ 0.0000255900000000, -0.0045375700000000, 0.0021238200000000 ] - [ -0.0018588900000000, 0.0075844200000000, 0.0049768900000000 ] - [ -0.0003576200000000, 0.0002720000000000, 0.0014513700000000 ] - [ 0.0001724300000000, 0.0000740300000000, 0.0017735200000000 ] - [ -0.0004289500000000, 0.0000262500000000, 0.0016121900000000 ] - [ 0.0006719800000000, 0.0004518500000000, 0.0022601800000000 ] - [ -0.0007104800000000, 0.0000834000000000, 0.0016430900000000 ] - [ 0.0011715800000000, 0.0007032400000000, 0.0017294000000000 ] - [ 0.0002092900000000, 0.0075522300000000, 0.0005740800000000 ] - [ -0.0002058300000000, 0.0016820800000000, 0.0012539400000000 ] - [ -0.0001329800000000, 0.0023697000000000, 0.0010950400000000 ] - [ -0.0002011300000000, 0.0021461400000000, 0.0012620000000000 ] - [ 0.0007552800000000, 0.0067989200000000, -0.0002579800000000 ] - [ -0.0003194200000000, 0.0018332300000000, 0.0012696500000000 ] - [ -0.0008842600000000, 0.0027078000000000, 0.0048071500000000 ] - [ -0.0002801600000000, 0.0002740400000000, 0.0017093000000000 ] - [ -0.0008844600000000, 0.0002780900000000, 0.0018196200000000 ] - [ -0.0006929200000000, 0.0003984000000000, 0.0016812200000000 ] - [ 0.0014959100000000, 0.0009584700000000, 0.0009308000000000 ] - [ -0.0024025900000000, 0.0003604700000000, 0.0015196500000000 ] - [ 0.0068613800000000, 0.3478646300000000, -0.0084918600000000 ] - [ 0.0017487700000000, 0.0020502500000000, -0.0011865700000000 ] - [ 0.0024884000000000, 0.0041374700000000, -0.0017844200000000 ] - [ 0.0017018600000000, 0.0033932400000000, -0.0029646400000000 ] - [ 0.0009694800000000, 0.0041435500000000, 0.0001184000000000 ] - [ 0.0040914700000000, 0.0033931300000000, -0.0018250900000000 ] - [ 0.0069207300000000, -0.0025645200000000, 0.0043837100000000 ] - [ -0.0003826100000000, -0.0003131100000000, -0.0007484700000000 ] - [ 0.0022758300000000, -0.0001045100000000, 0.0012268100000000 ] - [ 0.0014189600000000, -0.0000998800000000, -0.0013315300000000 ] - [ 0.0024828500000000, -0.0003087300000000, -0.0008060400000000 ] - [ -0.0051207900000000, -0.0025650500000000, -0.0034011700000000 ] - [ 0.0025522000000000, -0.0006305500000000, -0.0002241000000000 ] - [ 0.0005743900000000, -0.0006286100000000, -0.0004635100000000 ] - [ 0.0018441500000000, -0.0007031300000000, 0.0003940300000000 ] - [ 0.0013808000000000, 0.0006188800000000, -0.0009446500000000 ] - [ 0.0020011100000000, 0.0006189100000000, -0.0005287000000000 ] - [ 0.0008360400000000, -0.0007049000000000, -0.0013007400000000 ] - [ 0.0064908500000000, -0.0085066800000000, -0.0080768000000000 ] - [ 0.0016727400000000, -0.0021456600000000, -0.0013420300000000 ] - [ 0.0020492100000000, -0.0023926500000000, -0.0012830000000000 ] - [ 0.0020936900000000, -0.0025163000000000, -0.0018600500000000 ] - [ -0.0012598700000000, -0.0085386500000000, 0.0036412000000000 ] - [ 0.0028143200000000, -0.0021429300000000, -0.0013565800000000 ] - [ -0.0025319300000000, -0.0041538400000000, 0.0044063800000000 ] - [ 0.0039971000000000, 0.0006467500000000, -0.0014877000000000 ] - [ 0.0030709800000000, 0.0019783200000000, -0.0039852700000000 ] - [ 0.0008686300000000, 0.0005011300000000, -0.0034137800000000 ] - [ 0.0150236100000000, -0.0508328800000000, -0.0223269300000000 ] - [ 0.0017928300000000, 0.0001242700000000, -0.0033122100000000 ] - [ -0.0048661300000000, 0.0030278700000000, -0.0124516800000000 ] - [ 0.0028851900000000, 0.0035456500000000, -0.0043708700000000 ] - [ 0.0043498900000000, 0.0035181300000000, -0.0036418000000000 ] - [ 0.0016611500000000, 0.0013085100000000, -0.0032572300000000 ] - [ 0.0020953300000000, 0.0014218100000000, -0.0029589900000000 ] - [ 0.0143147600000000, 0.0031131800000000, -0.0002152400000000 ] - [ -0.0017768600000000, -0.0031353000000000, -0.0082518300000000 ] - [ 0.0026705000000000, -0.0007820500000000, -0.0036713700000000 ] - [ 0.0031902600000000, -0.0008128900000000, -0.0035969500000000 ] - [ 0.0035174500000000, -0.0016707500000000, -0.0021162600000000 ] - [ 0.0007116100000000, -0.0015782700000000, -0.0038254000000000 ] - [ 0.0091257000000000, -0.0030991200000000, -0.0012559800000000 ] - [ 0.0005733000000000, -0.0095556700000000, -0.0002111600000000 ] - [ 0.0026115400000000, -0.0007330800000000, -0.0030278300000000 ] - [ 0.0021786800000000, -0.0027200000000000, -0.0026568700000000 ] - [ 0.0023434600000000, -0.0012426400000000, -0.0030400100000000 ] - [ 0.0043426400000000, -0.0054342100000000, -0.0060196100000000 ] - [ 0.0022715500000000, -0.0010542900000000, -0.0030194700000000 ]- atom: 97 displacement: [ -0.0054706835898182, 0.0000000000000000, 0.0083708793480789 ] forces: - [ 0.0002843800000000, 0.0049172400000000, 0.0018930000000000 ] - [ 0.0006559200000000, 0.0105278500000000, 0.0010694300000000 ] - [ -0.0001485000000000, 0.0044682800000000, 0.0021844000000000 ] - [ 0.0008444800000000, 0.0061778400000000, 0.0008113100000000 ] - [ -0.0000828200000000, 0.0045268300000000, 0.0021711900000000 ] - [ -0.0021177200000000, 0.0058239200000000, 0.0053886700000000 ] - [ -0.0063692200000000, -0.0009467900000000, -0.0033117100000000 ] - [ -0.0029075900000000, -0.0007972800000000, 0.0000558100000000 ] - [ -0.0045762200000000, -0.0004858800000000, -0.0026587400000000 ] - [ -0.0035952500000000, -0.0011249700000000, -0.0012486100000000 ] - [ -0.0039557200000000, -0.0011733800000000, -0.0015602500000000 ] - [ -0.0032516000000000, -0.0011353200000000, -0.0002239300000000 ] - [ -0.0264465800000000, 0.0013855200000000, 0.0412970500000000 ] - [ -0.0000242700000000, -0.0010118100000000, 0.0012604700000000 ] - [ -0.0000371600000000, 0.0017883100000000, 0.0009370100000000 ] - [ -0.0001568800000000, -0.0030242800000000, 0.0012704800000000 ] - [ 0.0007098300000000, -0.0033095400000000, -0.0001411400000000 ] - [ -0.0005368800000000, -0.0025325400000000, 0.0012421000000000 ] - [ 0.0014110900000000, 0.0011252200000000, 0.0070525900000000 ] - [ 0.0008283100000000, 0.0003442200000000, -0.0024851000000000 ] - [ -0.0067383800000000, 0.0008045000000000, -0.0045421600000000 ] - [ -0.0029673100000000, 0.0005414000000000, -0.0021089500000000 ] - [ -0.0029184100000000, 0.0007240200000000, -0.0001498100000000 ] - [ -0.0101758700000000, 0.0000286600000000, 0.1377088500000000 ] - [ -0.0016531200000000, -0.0016935400000000, 0.0083292200000000 ] - [ 0.0016544400000000, -0.0056721400000000, 0.0013613900000000 ] - [ -0.0003159600000000, -0.0054452800000000, 0.0005824700000000 ] - [ 0.0010202600000000, -0.0044400300000000, 0.0007214400000000 ] - [ 0.0012271000000000, -0.0046761600000000, 0.0004318600000000 ] - [ -0.0051427400000000, -0.0016850300000000, 0.0060926400000000 ] - [ -0.0015797400000000, -0.0006786900000000, -0.0032060600000000 ] - [ 0.0018328700000000, -0.0002249900000000, 0.0022412400000000 ] - [ 0.0015019200000000, -0.0005097200000000, 0.0007558500000000 ] - [ -0.0108959100000000, 0.0000625000000000, 0.0002326200000000 ] - [ -0.1246900300000000, -0.0005107600000000, 0.0635161600000000 ] - [ 0.0020290100000000, -0.0002750000000000, 0.0021060000000000 ] - [ -0.0020393900000000, -0.0024903400000000, 0.0028435400000000 ] - [ 0.0002296000000000, 0.0007600000000000, 0.0014077300000000 ] - [ -0.0006818100000000, 0.0006245200000000, 0.0009978000000000 ] - [ -0.0000761300000000, -0.0004258700000000, 0.0010039500000000 ] - [ 0.0000757900000000, -0.0002733700000000, 0.0009556700000000 ] - [ -0.0010076800000000, -0.0024865200000000, 0.0035396300000000 ] - [ -0.0015840600000000, -0.0001425900000000, 0.0014644600000000 ] - [ 0.0014987300000000, 0.0005541800000000, 0.0018017400000000 ] - [ -0.0015694500000000, 0.0001751000000000, 0.0014296600000000 ] - [ 0.0005745700000000, -0.0001833400000000, 0.0017474800000000 ] - [ 0.0001515900000000, -0.0000251300000000, 0.0015658200000000 ] - [ 0.0025846700000000, 0.0001114100000000, 0.0031989500000000 ] - [ 0.0026166700000000, 0.0084824600000000, 0.0023345900000000 ] - [ 0.0002986700000000, 0.0042699500000000, 0.0032325700000000 ] - [ -0.0012941600000000, 0.0043671900000000, 0.0023368100000000 ] - [ 0.0008444300000000, 0.0054270000000000, 0.0010487200000000 ] - [ 0.0006588500000000, 0.0052342100000000, 0.0010480100000000 ] - [ -0.0013869600000000, 0.0083593500000000, 0.0000058300000000 ] - [ -0.0025225400000000, -0.0005868100000000, -0.0001021900000000 ] - [ -0.0011408400000000, -0.0035767400000000, 0.0015594600000000 ] - [ -0.0045756300000000, -0.0005466300000000, -0.0018632600000000 ] - [ -0.0029168800000000, -0.0010292300000000, -0.0010271100000000 ] - [ -0.0037387200000000, -0.0007219700000000, -0.0010817500000000 ] - [ -0.0033269800000000, 0.0003239900000000, -0.0020905200000000 ] - [ -0.0005438900000000, 0.0008224700000000, 0.0016637500000000 ] - [ -0.0002092600000000, -0.0001377500000000, 0.0019098100000000 ] - [ -0.0009146100000000, -0.0000838600000000, 0.0015245500000000 ] - [ -0.0000710000000000, -0.0005462000000000, 0.0012227500000000 ] - [ -0.0002540400000000, -0.0005458200000000, 0.0011252000000000 ] - [ -0.0005321100000000, 0.0008686100000000, 0.0017751100000000 ] - [ -0.0046828300000000, 0.0009286600000000, -0.0022301400000000 ] - [ -0.0033053600000000, 0.0009378900000000, -0.0007227600000000 ] - [ -0.0038948500000000, 0.0009317700000000, -0.0015298100000000 ] - [ -0.0036936600000000, 0.0009658100000000, -0.0010596700000000 ] - [ -0.0043573500000000, 0.0012362000000000, -0.0016260600000000 ] - [ -0.0032822900000000, 0.0008506400000000, -0.0002844600000000 ] - [ 0.0000878400000000, -0.0051298100000000, 0.0019897600000000 ] - [ 0.0004676900000000, -0.0039147400000000, 0.0013698500000000 ] - [ -0.0001573600000000, -0.0048627900000000, 0.0021937600000000 ] - [ 0.0001284500000000, -0.0052334200000000, 0.0019375600000000 ] - [ 0.0001539600000000, -0.0048344200000000, 0.0020108700000000 ] - [ -0.0013983600000000, 0.0044219900000000, 0.0042612500000000 ] - [ -0.0013888600000000, -0.0001584500000000, 0.0015584600000000 ] - [ 0.0004336200000000, -0.0000753300000000, 0.0016706200000000 ] - [ -0.0004766600000000, -0.0001060700000000, 0.0015386700000000 ] - [ 0.0004637200000000, 0.0002041800000000, 0.0020571000000000 ] - [ -0.0003196800000000, -0.0000531500000000, 0.0015895600000000 ] - [ 0.0010144400000000, -0.0000990900000000, 0.0020559000000000 ] - [ -0.0002595100000000, 0.0001010700000000, 0.0012673200000000 ] - [ -0.0001360400000000, 0.0015000900000000, 0.0012812600000000 ] - [ -0.0000418500000000, 0.0014836900000000, 0.0009757600000000 ] - [ -0.0004260300000000, 0.0015519800000000, 0.0013596200000000 ] - [ 0.0003702000000000, 0.0065629500000000, 0.0003231600000000 ] - [ -0.0003022700000000, 0.0010006400000000, 0.0013600600000000 ] - [ -0.0040673500000000, -0.0025460100000000, 0.0002918800000000 ] - [ 0.0006920900000000, 0.0002254100000000, 0.0016985200000000 ] - [ -0.0003244300000000, -0.0000023600000000, 0.0010412100000000 ] - [ -0.0018560300000000, 0.0005605400000000, 0.0011297100000000 ] - [ 0.0005792100000000, 0.0013364100000000, 0.0008991500000000 ] - [ 0.0000961200000000, 0.0004314100000000, 0.0019697500000000 ] - [ 0.1560349600000000, 0.0081308300000000, -0.2376366700000000 ] - [ 0.0004676900000000, 0.0014423700000000, -0.0009666700000000 ] - [ -0.0010681700000000, -0.0000691700000000, 0.0037255200000000 ] - [ 0.0014317700000000, 0.0032444800000000, -0.0034230700000000 ] - [ -0.0013442100000000, 0.0023482000000000, 0.0034526100000000 ] - [ 0.0052037500000000, 0.0028937700000000, -0.0009595500000000 ] - [ 0.0040191600000000, 0.0004517300000000, 0.0011407700000000 ] - [ 0.0002147900000000, -0.0015349500000000, -0.0013769300000000 ] - [ 0.0029112600000000, -0.0013931600000000, 0.0003392700000000 ] - [ 0.0011273100000000, 0.0002778700000000, -0.0008197900000000 ] - [ 0.0017428200000000, 0.0000786900000000, -0.0003723700000000 ] - [ -0.0008196500000000, 0.0003808700000000, -0.0020221900000000 ] - [ 0.0022224700000000, 0.0002029200000000, -0.0002881300000000 ] - [ 0.0005978700000000, 0.0010813000000000, -0.0013575700000000 ] - [ 0.0028399400000000, 0.0010437900000000, 0.0000318400000000 ] - [ 0.0011368600000000, 0.0010339000000000, -0.0009869600000000 ] - [ 0.0019780700000000, 0.0010428800000000, -0.0004378300000000 ] - [ 0.0011043000000000, 0.0001799400000000, -0.0010952900000000 ] - [ 0.0005968000000000, 0.0042878400000000, 0.0011419700000000 ] - [ 0.0009354900000000, -0.0021681700000000, -0.0015214200000000 ] - [ 0.0012124300000000, -0.0016815700000000, -0.0001929100000000 ] - [ 0.0030493700000000, -0.0021963300000000, -0.0008614600000000 ] - [ 0.0004665300000000, -0.0098304100000000, 0.0010780300000000 ] - [ 0.0017906300000000, -0.0015323800000000, -0.0009650800000000 ] - [ 0.0011085600000000, -0.0041882000000000, -0.0009252000000000 ] - [ 0.0024952200000000, 0.0014882600000000, -0.0023669100000000 ] - [ 0.0021005100000000, 0.0032219800000000, -0.0029037900000000 ] - [ 0.0030310000000000, 0.0009224000000000, -0.0027742500000000 ] - [ 0.0117681400000000, -0.0197640700000000, -0.0170923100000000 ] - [ 0.0014464300000000, 0.0000167000000000, -0.0035749700000000 ] - [ -0.0240676600000000, 0.0002355200000000, -0.0270082600000000 ] - [ -0.0049933700000000, 0.0016060500000000, -0.0079041800000000 ] - [ 0.0113414400000000, 0.0014584800000000, 0.0022082900000000 ] - [ 0.0006261100000000, 0.0001514000000000, -0.0020270200000000 ] - [ 0.0003652700000000, 0.0004678000000000, -0.0019857900000000 ] - [ 0.0355833400000000, 0.0005055900000000, 0.0117578100000000 ] - [ 0.0091789000000000, -0.0036585300000000, -0.0031703100000000 ] - [ 0.0004781000000000, 0.0003562700000000, -0.0027849800000000 ] - [ 0.0026887600000000, 0.0001361200000000, -0.0017874200000000 ] - [ 0.0025053200000000, -0.0030368100000000, -0.0000500900000000 ] - [ -0.0006571800000000, -0.0027694700000000, -0.0016801300000000 ] - [ 0.0004071700000000, -0.0036239600000000, -0.0089426900000000 ] - [ 0.0021425400000000, -0.0022590300000000, -0.0024026300000000 ] - [ 0.0018583100000000, -0.0003143800000000, -0.0029759400000000 ] - [ 0.0015410200000000, -0.0010890800000000, -0.0018985800000000 ] - [ 0.0031838900000000, -0.0000964000000000, -0.0028632000000000 ] - [ 0.0037457700000000, -0.0043717600000000, -0.0050860400000000 ] - [ 0.0022904300000000, 0.0002027400000000, -0.0034209300000000 ]- atom: 97 displacement: [ 0.0054706835898182, 0.0000000000000000, -0.0083708793480789 ] forces: - [ -0.0002978600000000, 0.0046049500000000, 0.0023446200000000 ] - [ -0.0006989300000000, -0.0011543600000000, 0.0032134300000000 ] - [ 0.0001351900000000, 0.0050509300000000, 0.0020565700000000 ] - [ -0.0008643100000000, 0.0033496300000000, 0.0034355100000000 ] - [ 0.0000638700000000, 0.0049910500000000, 0.0020709000000000 ] - [ 0.0021221100000000, 0.0037028000000000, -0.0011781700000000 ] - [ -0.0008992300000000, -0.0007587100000000, 0.0014692400000000 ] - [ -0.0043948700000000, -0.0008876400000000, -0.0018989600000000 ] - [ -0.0027306300000000, -0.0011974000000000, 0.0008127800000000 ] - [ -0.0037007800000000, -0.0005607200000000, -0.0005916300000000 ] - [ -0.0033472700000000, -0.0005101600000000, -0.0002912700000000 ] - [ -0.0040617400000000, -0.0005534000000000, -0.0016410900000000 ] - [ 0.0260590800000000, -0.0029783800000000, -0.0389168400000000 ] - [ -0.0006526100000000, -0.0007130200000000, 0.0015621000000000 ] - [ -0.0006457000000000, -0.0034633000000000, 0.0018937000000000 ] - [ -0.0005187700000000, 0.0012887400000000, 0.0015532900000000 ] - [ -0.0014055100000000, 0.0016064600000000, 0.0029920000000000 ] - [ -0.0001442400000000, 0.0007978500000000, 0.0015811000000000 ] - [ -0.0086823000000000, 0.0005678500000000, -0.0088749200000000 ] - [ -0.0080878800000000, 0.0013376700000000, 0.0006206900000000 ] - [ -0.0005896400000000, 0.0008830900000000, 0.0026609700000000 ] - [ -0.0043233300000000, 0.0011488300000000, 0.0002936000000000 ] - [ -0.0043874800000000, 0.0009628400000000, -0.0017043200000000 ] - [ 0.0008130200000000, 0.0020538000000000, -0.1453261600000000 ] - [ 0.0016167400000000, -0.0078351200000000, -0.0041053000000000 ] - [ -0.0016564100000000, -0.0038588600000000, 0.0028795300000000 ] - [ 0.0002923100000000, -0.0040835500000000, 0.0036474500000000 ] - [ -0.0010296000000000, -0.0050897800000000, 0.0035236300000000 ] - [ -0.0012470600000000, -0.0048548700000000, 0.0038048700000000 ] - [ 0.0051493000000000, -0.0078424300000000, -0.0018378300000000 ] - [ 0.0007202800000000, 0.0003131600000000, 0.0065017200000000 ] - [ -0.0026514900000000, -0.0001345400000000, 0.0011108700000000 ] - [ -0.0023787500000000, 0.0001527900000000, 0.0025925500000000 ] - [ 0.0100036100000000, -0.0004167800000000, 0.0030944500000000 ] - [ 0.1299521900000000, 0.0005263800000000, -0.0606147900000000 ] - [ -0.0028606200000000, -0.0000850800000000, 0.0012415600000000 ] - [ 0.0013672800000000, 0.0042332300000000, -0.0000166500000000 ] - [ -0.0009035200000000, 0.0009830900000000, 0.0014157000000000 ] - [ 0.0000011900000000, 0.0011187900000000, 0.0018223200000000 ] - [ -0.0005966200000000, 0.0021666700000000, 0.0018195300000000 ] - [ -0.0007552200000000, 0.0020142000000000, 0.0018631500000000 ] - [ 0.0003232500000000, 0.0042285100000000, -0.0007192200000000 ] - [ 0.0007549800000000, 0.0005011400000000, 0.0018829000000000 ] - [ -0.0023526100000000, -0.0001899100000000, 0.0015469600000000 ] - [ 0.0007067300000000, 0.0001866400000000, 0.0019160800000000 ] - [ -0.0014169000000000, 0.0005468300000000, 0.0015971600000000 ] - [ -0.0010041800000000, 0.0003873100000000, 0.0017780300000000 ] - [ -0.0034536100000000, 0.0002302000000000, 0.0001170300000000 ] - [ -0.0026215900000000, 0.0010614000000000, 0.0018986600000000 ] - [ -0.0003172500000000, 0.0052380400000000, 0.0010138100000000 ] - [ 0.0012743300000000, 0.0051423600000000, 0.0019081700000000 ] - [ -0.0008561600000000, 0.0040910500000000, 0.0031897800000000 ] - [ -0.0006747000000000, 0.0042817300000000, 0.0031898900000000 ] - [ 0.0013731300000000, 0.0011848300000000, 0.0042235600000000 ] - [ -0.0047783000000000, -0.0011004400000000, -0.0017481000000000 ] - [ -0.0061765700000000, 0.0018848700000000, -0.0033992300000000 ] - [ -0.0027281600000000, -0.0011416400000000, 0.0000142600000000 ] - [ -0.0043831100000000, -0.0006630300000000, -0.0008211800000000 ] - [ -0.0035683300000000, -0.0009657200000000, -0.0007716400000000 ] - [ -0.0039703800000000, -0.0020186500000000, 0.0002405000000000 ] - [ -0.0001322300000000, -0.0025607200000000, 0.0011558000000000 ] - [ -0.0004712100000000, -0.0016005300000000, 0.0009139100000000 ] - [ 0.0002372000000000, -0.0016548100000000, 0.0013009400000000 ] - [ -0.0006047900000000, -0.0011909900000000, 0.0015980400000000 ] - [ -0.0004231600000000, -0.0011915800000000, 0.0016956700000000 ] - [ -0.0001432700000000, -0.0026066700000000, 0.0010452800000000 ] - [ -0.0026129900000000, 0.0007556700000000, 0.0003959300000000 ] - [ -0.0039953300000000, 0.0007487900000000, -0.0011224200000000 ] - [ -0.0034086900000000, 0.0007550500000000, -0.0003181400000000 ] - [ -0.0036079700000000, 0.0007207200000000, -0.0007895900000000 ] - [ -0.0029407400000000, 0.0004487400000000, -0.0002223400000000 ] - [ -0.0040248600000000, 0.0008351600000000, -0.0015669600000000 ] - [ -0.0001005600000000, -0.0043945500000000, 0.0022485200000000 ] - [ -0.0004996600000000, -0.0055925800000000, 0.0028957900000000 ] - [ 0.0001413000000000, -0.0046601800000000, 0.0020470300000000 ] - [ -0.0001419900000000, -0.0042780600000000, 0.0023001400000000 ] - [ -0.0001706100000000, -0.0046845000000000, 0.0022302200000000 ] - [ 0.0013934600000000, -0.0140208900000000, -0.0000367900000000 ] - [ 0.0005418500000000, -0.0002029800000000, 0.0017883400000000 ] - [ -0.0012832000000000, -0.0002848800000000, 0.0016749000000000 ] - [ -0.0003781400000000, -0.0002543900000000, 0.0018063000000000 ] - [ -0.0013131000000000, -0.0005664000000000, 0.0012840600000000 ] - [ -0.0005259300000000, -0.0003073900000000, 0.0017544300000000 ] - [ -0.0018813200000000, -0.0002638200000000, 0.0012882800000000 ] - [ -0.0004295900000000, 0.0016064400000000, 0.0015728700000000 ] - [ -0.0005405500000000, 0.0002289400000000, 0.0015410000000000 ] - [ -0.0006361900000000, 0.0002395500000000, 0.0018477300000000 ] - [ -0.0002518600000000, 0.0001775900000000, 0.0014635800000000 ] - [ -0.0010502000000000, -0.0048494000000000, 0.0025035600000000 ] - [ -0.0003763700000000, 0.0007274100000000, 0.0014633200000000 ] - [ 0.0032142700000000, 0.0029011400000000, 0.0030693900000000 ] - [ -0.0015343000000000, 0.0001335900000000, 0.0016467700000000 ] - [ -0.0005263200000000, 0.0003573900000000, 0.0023016800000000 ] - [ 0.0010098500000000, -0.0001999200000000, 0.0022139900000000 ] - [ -0.0014270900000000, -0.0009836900000000, 0.0024406700000000 ] - [ -0.0009484800000000, -0.0000725400000000, 0.0013761100000000 ] - [ -0.1566477200000000, -0.0062953100000000, 0.2422456500000000 ] - [ 0.0032725600000000, 0.0013246700000000, -0.0011000400000000 ] - [ 0.0047799300000000, 0.0028075100000000, -0.0057406500000000 ] - [ 0.0023102700000000, -0.0004714300000000, 0.0013501600000000 ] - [ 0.0051386700000000, 0.0004247100000000, -0.0055989600000000 ] - [ -0.0014475500000000, -0.0001209200000000, -0.0011070800000000 ] - [ -0.0002978300000000, -0.0032204800000000, -0.0032394000000000 ] - [ 0.0035355800000000, -0.0012509400000000, -0.0007034600000000 ] - [ 0.0008474000000000, -0.0013927300000000, -0.0024167400000000 ] - [ 0.0026144900000000, -0.0030608200000000, -0.0012550000000000 ] - [ 0.0020070300000000, -0.0028622400000000, -0.0016965400000000 ] - [ 0.0046034900000000, -0.0031493000000000, -0.0000369300000000 ] - [ 0.0015208200000000, 0.0025777500000000, -0.0017851400000000 ] - [ 0.0031642700000000, 0.0016964900000000, -0.0007192100000000 ] - [ 0.0009080600000000, 0.0017343900000000, -0.0021178500000000 ] - [ 0.0026110000000000, 0.0017423500000000, -0.0010888100000000 ] - [ 0.0017741700000000, 0.0017334700000000, -0.0016366300000000 ] - [ 0.0026460100000000, 0.0026010800000000, -0.0009747300000000 ] - [ 0.0031630400000000, -0.0070306600000000, -0.0032309600000000 ] - [ 0.0028071100000000, -0.0006038100000000, -0.0005499500000000 ] - [ 0.0025348200000000, -0.0010802600000000, -0.0018781900000000 ] - [ 0.0007005700000000, -0.0005766600000000, -0.0012091200000000 ] - [ 0.0032731100000000, 0.0070869800000000, -0.0031385900000000 ] - [ 0.0019596000000000, -0.0012378200000000, -0.0011063000000000 ] - [ 0.0040219100000000, 0.0037466900000000, -0.0056093800000000 ] - [ 0.0025816800000000, -0.0018712400000000, -0.0041259200000000 ] - [ 0.0029941200000000, -0.0036569800000000, -0.0035840500000000 ] - [ 0.0020827000000000, -0.0013071400000000, -0.0037040800000000 ] - [ -0.0068076700000000, 0.0196360800000000, 0.0108139400000000 ] - [ 0.0036521800000000, -0.0004120300000000, -0.0029125300000000 ] - [ 0.0292523200000000, 0.0001132500000000, 0.0204790000000000 ] - [ 0.0100270000000000, -0.0012168300000000, 0.0013654500000000 ] - [ -0.0061598600000000, -0.0010715100000000, -0.0086516900000000 ] - [ 0.0044309800000000, 0.0002340500000000, -0.0044770900000000 ] - [ 0.0047526100000000, -0.0000794500000000, -0.0044792600000000 ] - [ -0.0304778200000000, -0.0001562500000000, -0.0183418700000000 ] - [ -0.0040878200000000, 0.0032849500000000, -0.0033323400000000 ] - [ 0.0046069700000000, -0.0007283300000000, -0.0037022100000000 ] - [ 0.0024150500000000, -0.0005094300000000, -0.0046915200000000 ] - [ 0.0025676200000000, 0.0026587000000000, -0.0064299300000000 ] - [ 0.0057536700000000, 0.0023926000000000, -0.0047835500000000 ] - [ 0.0047101600000000, 0.0032495000000000, 0.0024539400000000 ] - [ 0.0029797900000000, 0.0027036100000000, -0.0041218400000000 ] - [ 0.0032324400000000, 0.0007043000000000, -0.0035099700000000 ] - [ 0.0035611200000000, 0.0014789100000000, -0.0045963600000000 ] - [ 0.0019099000000000, 0.0004879600000000, -0.0036241000000000 ] - [ 0.0013357400000000, 0.0047757000000000, -0.0013799700000000 ] - [ 0.0028146900000000, 0.0001899200000000, -0.0030655300000000 ]- atom: 121 displacement: [ 0.0099992567053987, 0.0000000000000000, 0.0001219234987175 ] forces: - [ -0.0026682000000000, 0.0032686000000000, 0.0025756400000000 ] - [ -0.0001206700000000, 0.0049356900000000, 0.0090001700000000 ] - [ -0.0017718700000000, 0.0044337200000000, 0.0032390200000000 ] - [ 0.0527405300000000, 0.0223486900000000, -0.0405942600000000 ] - [ 0.0004488500000000, 0.0070082300000000, -0.0022564700000000 ] - [ -0.0020763400000000, 0.0030742800000000, 0.0061329600000000 ] - [ -0.0049920400000000, -0.0012438300000000, 0.0006431900000000 ] - [ -0.0161841400000000, -0.0016147700000000, -0.0190712800000000 ] - [ 0.0190280100000000, -0.0041652100000000, -0.0219928600000000 ] - [ -0.0066625200000000, -0.0008598000000000, -0.0019644300000000 ] - [ -0.0019410500000000, -0.0009465700000000, 0.0003505800000000 ] - [ -0.0070196500000000, -0.0004417100000000, -0.0079199700000000 ] - [ 0.0002176700000000, -0.0046928600000000, 0.0033325100000000 ] - [ -0.0014500100000000, -0.0001188400000000, 0.0011483100000000 ] - [ 0.0187801400000000, 0.0004256900000000, -0.0056716200000000 ] - [ -0.0012523800000000, -0.0012242100000000, 0.0017390700000000 ] - [ -0.0012855400000000, 0.0011133000000000, 0.0034182200000000 ] - [ -0.0005258900000000, -0.0022551600000000, -0.0002822700000000 ] - [ -0.0050897700000000, 0.0006666200000000, -0.0020128100000000 ] - [ -0.0020628500000000, 0.0037874300000000, -0.0030241100000000 ] - [ -0.0046398100000000, 0.0000402900000000, -0.0021472200000000 ] - [ -0.0037776400000000, 0.0010416600000000, 0.0000234200000000 ] - [ -0.0049625800000000, 0.0010816000000000, -0.0034511300000000 ] - [ -0.0024524000000000, -0.0001001200000000, 0.0016953600000000 ] - [ -0.0010745200000000, -0.0049657700000000, 0.0033862100000000 ] - [ -0.0011829400000000, -0.0012592800000000, 0.0032302200000000 ] - [ 0.0015831600000000, -0.0087470000000000, 0.0005862100000000 ] - [ -0.0008692200000000, -0.0037355400000000, 0.0031015900000000 ] - [ -0.0004157100000000, -0.0047705400000000, 0.0026833900000000 ] - [ 0.0014885700000000, -0.0049749400000000, -0.0001143300000000 ] - [ 0.0107641100000000, -0.0011086200000000, 0.0009225000000000 ] - [ -0.0032772800000000, -0.0001808800000000, 0.0016309200000000 ] - [ 0.0009041900000000, -0.0001010800000000, 0.0024918500000000 ] - [ -0.0020472800000000, -0.0005068600000000, 0.0012526600000000 ] - [ -0.0015125800000000, -0.0009118000000000, 0.0021706400000000 ] - [ -0.0035620900000000, 0.0006219500000000, 0.0004899500000000 ] - [ -0.0025606400000000, -0.0010938900000000, 0.0032153000000000 ] - [ -0.0052703900000000, 0.0175041900000000, -0.0007169400000000 ] - [ -0.0025717600000000, -0.0200722600000000, -0.0026019600000000 ] - [ -0.0009573100000000, 0.0013334300000000, 0.0018624400000000 ] - [ -0.0004551400000000, 0.0019535400000000, 0.0015955400000000 ] - [ 0.0006952400000000, -0.0002408900000000, -0.0004574300000000 ] - [ -0.0062325800000000, -0.0000409800000000, 0.0021773300000000 ] - [ 0.0108260500000000, 0.0029249900000000, 0.0176713800000000 ] - [ -0.0239347800000000, 0.0009895300000000, -0.0043733800000000 ] - [ -0.0032232500000000, 0.0000590700000000, 0.0032386500000000 ] - [ -0.0050409700000000, 0.0000211700000000, -0.0007179300000000 ] - [ 0.0031723000000000, -0.0001521400000000, 0.0027155000000000 ] - [ -0.0009468000000000, 0.0034254000000000, 0.0032735700000000 ] - [ 0.0010927100000000, 0.0092222000000000, 0.0002647100000000 ] - [ 0.0000673800000000, 0.0016619900000000, 0.0023431800000000 ] - [ -0.0008556400000000, 0.0047770900000000, 0.0030936700000000 ] - [ 0.0004147600000000, 0.0047003300000000, 0.0017976000000000 ] - [ 0.0001051500000000, 0.0046750700000000, 0.0019185100000000 ] - [ -0.0046416400000000, -0.0008371100000000, -0.0019275900000000 ] - [ -0.0020008000000000, -0.0005839800000000, 0.0010370300000000 ] - [ -0.0046110700000000, -0.0007811200000000, -0.0017605400000000 ] - [ -0.0035114700000000, -0.0006365200000000, -0.0007686900000000 ] - [ -0.0038065900000000, -0.0009527600000000, -0.0017335900000000 ] - [ -0.0036186300000000, -0.0007344900000000, -0.0001089700000000 ] - [ -0.0008099800000000, -0.0010699900000000, 0.0018774100000000 ] - [ 0.0009408700000000, -0.0018419300000000, 0.0000895500000000 ] - [ -0.0010686300000000, 0.0026275400000000, 0.0021803900000000 ] - [ -0.0012650000000000, -0.0023048200000000, 0.0018260400000000 ] - [ 0.0001740700000000, -0.0015797800000000, 0.0013111100000000 ] - [ -0.0005245200000000, -0.0000552800000000, 0.0015697400000000 ] - [ -0.0040183500000000, 0.0032265500000000, -0.0004844000000000 ] - [ -0.0059653400000000, -0.0002899700000000, -0.0026644600000000 ] - [ 0.0011425600000000, 0.0010682700000000, 0.0029707900000000 ] - [ -0.0051114500000000, 0.0008541600000000, -0.0020624300000000 ] - [ -0.0040673800000000, 0.0010094600000000, -0.0004321700000000 ] - [ -0.0033789200000000, 0.0004319600000000, -0.0031510500000000 ] - [ -0.0015650900000000, -0.0041132400000000, 0.0032964400000000 ] - [ 0.0160251700000000, 0.0008858700000000, 0.0045088300000000 ] - [ -0.0010280100000000, -0.0029921200000000, 0.0018286800000000 ] - [ -0.0027731500000000, -0.0060037600000000, 0.0059437800000000 ] - [ 0.0004127600000000, -0.0068030000000000, -0.0000517800000000 ] - [ -0.0028150400000000, -0.0016063900000000, 0.0067494400000000 ] - [ -0.0042203800000000, 0.0005075100000000, 0.0019673200000000 ] - [ -0.0034915500000000, -0.0024927500000000, 0.0030594100000000 ] - [ 0.0003458000000000, 0.0012251500000000, 0.0004398300000000 ] - [ -0.0007803400000000, -0.0001436800000000, 0.0022772200000000 ] - [ -0.0029279200000000, -0.0001965600000000, 0.0016033500000000 ] - [ 0.0061642000000000, -0.0006616100000000, 0.0030221100000000 ] - [ 0.0010659600000000, 0.0053013500000000, -0.0000759900000000 ] - [ -0.0010408700000000, 0.0006581500000000, 0.0017282900000000 ] - [ -0.0015200900000000, -0.0030737700000000, 0.0043187900000000 ] - [ -0.0005993000000000, 0.0013589800000000, 0.0011376000000000 ] - [ -0.0007276600000000, 0.0012088000000000, 0.0022630700000000 ] - [ -0.0002177400000000, 0.0011570700000000, 0.0006888100000000 ] - [ 0.0003369000000000, 0.0004377900000000, 0.0019554800000000 ] - [ -0.0024078100000000, 0.0002518200000000, 0.0014076200000000 ] - [ 0.0028641500000000, 0.0002519200000000, 0.0020988700000000 ] - [ -0.0020283200000000, 0.0002739000000000, 0.0015769200000000 ] - [ -0.0006120400000000, 0.0002304100000000, 0.0021713100000000 ] - [ -0.0008027900000000, 0.0002052700000000, 0.0010683800000000 ] - [ 0.0012999300000000, 0.0063710300000000, -0.0031152100000000 ] - [ 0.0046402300000000, -0.0000802100000000, 0.0007317200000000 ] - [ -0.0096259700000000, -0.0107817200000000, 0.0023901200000000 ] - [ 0.0043053000000000, 0.0021409100000000, -0.0007699500000000 ] - [ 0.0010977900000000, 0.0008770000000000, -0.0020718200000000 ] - [ 0.0037901500000000, 0.0030672800000000, 0.0007891600000000 ] - [ 0.0095637600000000, -0.0010639700000000, -0.0050708600000000 ] - [ 0.0601634200000000, -0.0088123200000000, 0.0049346100000000 ] - [ 0.0221775600000000, 0.0102324000000000, 0.0519672200000000 ] - [ 0.0046852300000000, -0.0018289700000000, -0.0017974200000000 ] - [ 0.0028679200000000, -0.0022640900000000, -0.0026418100000000 ] - [ -0.0029099000000000, 0.0003856000000000, 0.0063663000000000 ] - [ 0.0038176500000000, 0.0012617600000000, -0.0022280400000000 ] - [ -0.0028870700000000, 0.0058120200000000, 0.0037689200000000 ] - [ 0.0063717400000000, -0.0052525200000000, -0.0007491500000000 ] - [ 0.0064470600000000, 0.0032314200000000, -0.0018489100000000 ] - [ -0.0001120200000000, 0.0003915000000000, -0.0023251100000000 ] - [ 0.0022055300000000, 0.0007519400000000, -0.0006351500000000 ] - [ 0.0001171700000000, -0.0033169600000000, -0.0026587200000000 ] - [ 0.0036891300000000, -0.0013205700000000, -0.0006684200000000 ] - [ -0.0003596000000000, 0.0003621700000000, -0.0010797400000000 ] - [ 0.0032936600000000, -0.0016582700000000, -0.0004260200000000 ] - [ 0.0019255700000000, -0.0017411800000000, -0.0021874500000000 ] - [ 0.0025321800000000, -0.0015896000000000, 0.0001586500000000 ] - [ -0.1828848400000000, -0.0233002000000000, 0.0198304000000000 ] - [ 0.0101171300000000, -0.0007398200000000, -0.0022794200000000 ] - [ 0.0072082600000000, -0.0021793800000000, -0.0168503000000000 ] - [ 0.0163531200000000, -0.0024211200000000, 0.0090263000000000 ] - [ 0.0071991100000000, 0.0024718600000000, -0.0167206300000000 ] - [ 0.0163731300000000, 0.0026372500000000, 0.0071016100000000 ] - [ 0.0060362600000000, 0.0031297100000000, -0.0050726000000000 ] - [ 0.0029560700000000, -0.0151445500000000, 0.0053519000000000 ] - [ 0.0031019800000000, 0.0156792700000000, -0.0083668800000000 ] - [ 0.0060394800000000, -0.0007684800000000, -0.0052529700000000 ] - [ 0.0013402400000000, -0.0000776300000000, -0.0015904900000000 ] - [ 0.0013553200000000, 0.0010091900000000, -0.0024017800000000 ] - [ 0.0043600100000000, -0.0016638700000000, -0.0050195000000000 ] - [ 0.0043518200000000, -0.0013319600000000, -0.0033079800000000 ] - [ -0.0004846300000000, 0.0023122300000000, -0.0022857100000000 ] - [ 0.0040122500000000, -0.0014007500000000, -0.0040705900000000 ] - [ 0.0040073100000000, 0.0001063800000000, -0.0040260900000000 ] - [ -0.0004875400000000, -0.0006003500000000, -0.0008208600000000 ] - [ -0.0000059900000000, -0.0180284900000000, -0.0133666400000000 ] - [ 0.0074999500000000, 0.0017260300000000, -0.0021441100000000 ] - [ 0.0001142300000000, 0.0247322200000000, -0.0134101500000000 ] - [ 0.0075079000000000, -0.0004121500000000, -0.0025004300000000 ] - [ 0.0048980000000000, 0.0008338700000000, -0.0082413200000000 ] - [ 0.0030178500000000, -0.0017314300000000, 0.0017917900000000 ]- atom: 121 displacement: [ -0.0099992567053987, 0.0000000000000000, -0.0001219234987175 ] forces: - [ 0.0026509600000000, 0.0062521800000000, 0.0016704500000000 ] - [ 0.0001600100000000, 0.0045983600000000, -0.0047674300000000 ] - [ 0.0017569000000000, 0.0050909400000000, 0.0009962500000000 ] - [ -0.0534452300000000, -0.0138052800000000, 0.0465335900000000 ] - [ -0.0004661800000000, 0.0025111000000000, 0.0065040200000000 ] - [ 0.0020509300000000, 0.0064462100000000, -0.0018789800000000 ] - [ -0.0023061700000000, -0.0004425700000000, -0.0024747300000000 ] - [ 0.0088277000000000, -0.0000786900000000, 0.0172003200000000 ] - [ -0.0244507400000000, 0.0023784200000000, 0.0214541200000000 ] - [ -0.0006372100000000, -0.0008268600000000, 0.0001055900000000 ] - [ -0.0053569200000000, -0.0007396400000000, -0.0021976700000000 ] - [ -0.0002741400000000, -0.0012467300000000, 0.0060890700000000 ] - [ -0.0008841200000000, 0.0029500100000000, -0.0005070900000000 ] - [ 0.0007743600000000, -0.0016141700000000, 0.0016781600000000 ] - [ -0.0195370500000000, -0.0019091600000000, 0.0086320300000000 ] - [ 0.0005743100000000, -0.0005093700000000, 0.0010820600000000 ] - [ 0.0006032100000000, -0.0028343700000000, -0.0005894900000000 ] - [ -0.0001547300000000, 0.0005253600000000, 0.0031055700000000 ] - [ -0.0022135800000000, 0.0010191200000000, 0.0001639300000000 ] - [ -0.0052718000000000, -0.0021048300000000, 0.0011180200000000 ] - [ -0.0026618300000000, 0.0016454200000000, 0.0002978200000000 ] - [ -0.0035313200000000, 0.0006442400000000, -0.0018776800000000 ] - [ -0.0023384500000000, 0.0006047200000000, 0.0016056800000000 ] - [ -0.0048503000000000, 0.0017829100000000, -0.0035416100000000 ] - [ 0.0010593400000000, -0.0045627300000000, 0.0008554800000000 ] - [ 0.0011646100000000, -0.0082747400000000, 0.0010076800000000 ] - [ -0.0015938100000000, -0.0007866100000000, 0.0036538000000000 ] - [ 0.0008530100000000, -0.0057885900000000, 0.0011378900000000 ] - [ 0.0003994300000000, -0.0047513700000000, 0.0015607200000000 ] - [ -0.0015060300000000, -0.0045519100000000, 0.0043567000000000 ] - [ -0.0115650700000000, 0.0007217800000000, 0.0024231600000000 ] - [ 0.0024260800000000, -0.0001804100000000, 0.0017132900000000 ] - [ -0.0017502300000000, -0.0002587600000000, 0.0008572000000000 ] - [ 0.0011979400000000, 0.0001466500000000, 0.0020922000000000 ] - [ 0.0006671400000000, 0.0005503000000000, 0.0011755000000000 ] - [ 0.0027110900000000, -0.0009846900000000, 0.0028548600000000 ] - [ 0.0018680300000000, 0.0028148300000000, -0.0003816500000000 ] - [ 0.0046174800000000, -0.0157975100000000, 0.0035722800000000 ] - [ 0.0018720200000000, 0.0217742200000000, 0.0054192500000000 ] - [ 0.0002792800000000, 0.0003941200000000, 0.0009597700000000 ] - [ -0.0002218200000000, -0.0002197800000000, 0.0012291300000000 ] - [ -0.0013762000000000, 0.0019724800000000, 0.0032862800000000 ] - [ 0.0053700700000000, 0.0004002800000000, 0.0011727100000000 ] - [ -0.0138664800000000, -0.0026766700000000, -0.0156428500000000 ] - [ 0.0231459600000000, -0.0006307500000000, 0.0077759500000000 ] - [ 0.0023685000000000, 0.0003020500000000, 0.0000917800000000 ] - [ 0.0041884000000000, 0.0003383500000000, 0.0040526200000000 ] - [ -0.0040111800000000, 0.0005100300000000, 0.0006398600000000 ] - [ 0.0009305500000000, 0.0060884000000000, 0.0009695100000000 ] - [ -0.0011116900000000, 0.0002887500000000, 0.0039763100000000 ] - [ -0.0000810800000000, 0.0078513600000000, 0.0018990700000000 ] - [ 0.0008385200000000, 0.0047402800000000, 0.0011461800000000 ] - [ -0.0004293500000000, 0.0048173900000000, 0.0024448900000000 ] - [ -0.0001212700000000, 0.0048420800000000, 0.0023219600000000 ] - [ -0.0026605900000000, -0.0008502400000000, 0.0000808300000000 ] - [ -0.0053082500000000, -0.0011058800000000, -0.0029027400000000 ] - [ -0.0026902900000000, -0.0009064000000000, -0.0000861600000000 ] - [ -0.0038019000000000, -0.0010479600000000, -0.0010895400000000 ] - [ -0.0034943200000000, -0.0007346500000000, -0.0001121500000000 ] - [ -0.0036873700000000, -0.0009538000000000, -0.0017436500000000 ] - [ 0.0001327700000000, -0.0006620600000000, 0.0009468100000000 ] - [ -0.0016221100000000, 0.0001090200000000, 0.0027357900000000 ] - [ 0.0003904700000000, -0.0043555400000000, 0.0006444200000000 ] - [ 0.0005873900000000, 0.0005761900000000, 0.0009957000000000 ] - [ -0.0008491700000000, -0.0001571400000000, 0.0015133900000000 ] - [ -0.0001535500000000, -0.0016776900000000, 0.0012516300000000 ] - [ -0.0032586500000000, -0.0015186000000000, -0.0013472500000000 ] - [ -0.0013356000000000, 0.0019843400000000, 0.0008116800000000 ] - [ -0.0084231200000000, 0.0006211400000000, -0.0048071800000000 ] - [ -0.0021927400000000, 0.0008336800000000, 0.0002095100000000 ] - [ -0.0032307800000000, 0.0006784800000000, -0.0014089200000000 ] - [ -0.0039284000000000, 0.0012591900000000, 0.0013003200000000 ] - [ 0.0015494200000000, -0.0054040800000000, 0.0009452200000000 ] - [ -0.0159597700000000, -0.0102308600000000, -0.0002988000000000 ] - [ 0.0010128500000000, -0.0065322200000000, 0.0024085900000000 ] - [ 0.0026986300000000, -0.0035333700000000, -0.0016299200000000 ] - [ -0.0004279000000000, -0.0027181700000000, 0.0042942200000000 ] - [ 0.0027991700000000, -0.0078942000000000, -0.0025083900000000 ] - [ 0.0033724900000000, -0.0008627100000000, 0.0013784300000000 ] - [ 0.0026240400000000, 0.0021524900000000, 0.0002630700000000 ] - [ -0.0011866400000000, -0.0015781100000000, 0.0029013900000000 ] - [ -0.0000757200000000, -0.0002155000000000, 0.0010648900000000 ] - [ 0.0020819400000000, -0.0001627300000000, 0.0017433400000000 ] - [ -0.0070369300000000, 0.0003023700000000, 0.0002985700000000 ] - [ -0.0017358000000000, -0.0036162500000000, 0.0028876800000000 ] - [ 0.0003638600000000, 0.0010752400000000, 0.0010943900000000 ] - [ 0.0008311800000000, 0.0047761300000000, -0.0014803300000000 ] - [ -0.0000778800000000, 0.0003735200000000, 0.0016839900000000 ] - [ 0.0000508500000000, 0.0005135000000000, 0.0005588200000000 ] - [ -0.0004598400000000, 0.0005754500000000, 0.0021340100000000 ] - [ -0.0011658900000000, -0.0000800500000000, 0.0013886000000000 ] - [ 0.0015551400000000, 0.0001083100000000, 0.0019370100000000 ] - [ -0.0037015900000000, 0.0001106400000000, 0.0012515300000000 ] - [ 0.0011776500000000, 0.0000858900000000, 0.0017677000000000 ] - [ -0.0002322700000000, 0.0001286000000000, 0.0011752400000000 ] - [ -0.0000492700000000, 0.0001543800000000, 0.0022762000000000 ] - [ 0.0024450200000000, -0.0035822500000000, 0.0010462400000000 ] - [ -0.0008957200000000, 0.0028590400000000, -0.0028091000000000 ] - [ 0.0133246000000000, 0.0135542800000000, -0.0043952000000000 ] - [ -0.0005551200000000, 0.0006358800000000, -0.0013024600000000 ] - [ 0.0026524300000000, 0.0018964500000000, 0.0000017600000000 ] - [ -0.0000391400000000, -0.0002913800000000, -0.0028596700000000 ] - [ -0.0057841600000000, -0.0017144100000000, 0.0029767800000000 ] - [ -0.0568937200000000, 0.0060066300000000, -0.0071839500000000 ] - [ -0.0182595200000000, -0.0130317500000000, -0.0538094800000000 ] - [ -0.0009370100000000, -0.0009425200000000, -0.0002689500000000 ] - [ 0.0008702600000000, -0.0005111700000000, 0.0005619900000000 ] - [ 0.0066593100000000, -0.0031647600000000, -0.0084426800000000 ] - [ -0.0000719900000000, 0.0015093900000000, 0.0001485000000000 ] - [ 0.0066605700000000, -0.0030418000000000, -0.0058425800000000 ] - [ -0.0026249800000000, 0.0080126600000000, -0.0013227200000000 ] - [ -0.0027029800000000, -0.0004648100000000, -0.0002163600000000 ] - [ 0.0038472000000000, 0.0023821000000000, 0.0002442500000000 ] - [ 0.0015475800000000, 0.0020206000000000, -0.0014343800000000 ] - [ 0.0036163500000000, 0.0005473200000000, 0.0006037200000000 ] - [ 0.0000604500000000, -0.0014538800000000, -0.0014065100000000 ] - [ 0.0041060100000000, -0.0031299400000000, -0.0009877300000000 ] - [ 0.0004560500000000, -0.0011154900000000, -0.0016474600000000 ] - [ 0.0018204700000000, -0.0010238400000000, 0.0001182100000000 ] - [ 0.0012173900000000, -0.0011842600000000, -0.0022337900000000 ] - [ 0.1892430800000000, 0.0238272700000000, -0.0282835200000000 ] - [ -0.0050150200000000, 0.0003478700000000, -0.0042002500000000 ] - [ -0.0020619300000000, 0.0017532900000000, 0.0103489500000000 ] - [ -0.0112528500000000, 0.0020409000000000, -0.0155273500000000 ] - [ -0.0020675000000000, -0.0028480900000000, 0.0101587000000000 ] - [ -0.0112798900000000, -0.0030219600000000, -0.0136103000000000 ] - [ -0.0009355200000000, -0.0027205100000000, -0.0014251000000000 ] - [ 0.0021817200000000, 0.0155930900000000, -0.0118541800000000 ] - [ 0.0019930600000000, -0.0152433700000000, 0.0018591400000000 ] - [ -0.0009371800000000, 0.0011646500000000, -0.0012245300000000 ] - [ 0.0037464000000000, 0.0004671000000000, -0.0049013300000000 ] - [ 0.0037415100000000, -0.0006144500000000, -0.0040868800000000 ] - [ 0.0007245000000000, 0.0012803100000000, -0.0014770000000000 ] - [ 0.0007579000000000, 0.0009496200000000, -0.0031693800000000 ] - [ 0.0055656300000000, -0.0026895000000000, -0.0042059200000000 ] - [ 0.0010889700000000, 0.0010169900000000, -0.0024117600000000 ] - [ 0.0010855300000000, -0.0004918200000000, -0.0024669100000000 ] - [ 0.0055983300000000, 0.0002188800000000, -0.0056588400000000 ] - [ 0.0049432900000000, 0.0183365300000000, 0.0070036900000000 ] - [ -0.0024084100000000, -0.0013425100000000, -0.0043478700000000 ] - [ 0.0050644100000000, -0.0243117400000000, 0.0069146200000000 ] - [ -0.0024092700000000, 0.0007952600000000, -0.0039789700000000 ] - [ 0.0002104800000000, -0.0004433900000000, 0.0017333200000000 ] - [ 0.0020800800000000, 0.0021169900000000, -0.0082782800000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005229700000000, 0.0059867100000000, 0.0016928300000000 ] - [ 0.0038902100000000, 0.0157231200000000, -0.0038790300000000 ] - [ 0.0000934400000000, 0.0056859200000000, 0.0022054200000000 ] - [ 0.0251448100000000, 0.0492871700000000, -0.0362644400000000 ] - [ -0.0001559000000000, 0.0062093600000000, 0.0017350400000000 ] - [ 0.0001782300000000, 0.0056345400000000, 0.0019021000000000 ] - [ -0.0017236400000000, 0.0002192900000000, 0.0006264300000000 ] - [ -0.0009766400000000, -0.0001059200000000, 0.0026268400000000 ] - [ -0.0104585500000000, 0.0111005300000000, -0.0080794800000000 ] - [ -0.0034459700000000, -0.0004670800000000, -0.0011135200000000 ] - [ -0.0022283300000000, -0.0001661700000000, 0.0002063100000000 ] - [ -0.0046136700000000, -0.0003186200000000, -0.0021813400000000 ] - [ -0.0025698800000000, 0.0013280000000000, 0.0047860400000000 ] - [ -0.0001499600000000, 0.0005272700000000, 0.0016081500000000 ] - [ -0.0051300500000000, -0.0252266300000000, 0.0086278100000000 ] - [ -0.0005006700000000, -0.0001337500000000, 0.0016351200000000 ] - [ -0.0010839800000000, 0.0040068600000000, 0.0025862800000000 ] - [ -0.0007349100000000, 0.0005234500000000, 0.0015565600000000 ] - [ -0.0036932900000000, 0.0008260500000000, -0.0011453000000000 ] - [ 0.0040373200000000, -0.0057146000000000, 0.0171024300000000 ] - [ -0.0065976000000000, 0.0005330300000000, -0.0053711800000000 ] - [ -0.0023444400000000, 0.0003352400000000, -0.0027891100000000 ] - [ -0.0027127400000000, 0.0006837100000000, -0.0002408400000000 ] - [ -0.0034716700000000, 0.0003636900000000, 0.0004519500000000 ] - [ -0.0006991600000000, -0.0065236200000000, 0.0029281500000000 ] - [ 0.0028414200000000, -0.0083463300000000, 0.0009605100000000 ] - [ -0.0002031300000000, -0.0083580300000000, -0.0008302000000000 ] - [ 0.0004938700000000, -0.0059645600000000, 0.0016915200000000 ] - [ 0.0004385700000000, -0.0060864000000000, 0.0013417200000000 ] - [ -0.0005122700000000, -0.0066483100000000, 0.0029377400000000 ] - [ -0.0201056200000000, -0.0067003400000000, 0.0018555500000000 ] - [ 0.0002333700000000, -0.0002175100000000, 0.0015938800000000 ] - [ 0.0014188800000000, -0.0007026200000000, -0.0001584900000000 ] - [ -0.0019095300000000, -0.0003145600000000, 0.0012897700000000 ] - [ -0.0023360200000000, -0.0006495500000000, 0.0019440300000000 ] - [ 0.0048903400000000, -0.0004948200000000, 0.0023991200000000 ] - [ -0.0008650200000000, 0.0027653800000000, 0.0016926000000000 ] - [ 0.0006082800000000, 0.0033267100000000, 0.0030226400000000 ] - [ -0.0022515300000000, 0.0034194200000000, 0.0012615400000000 ] - [ -0.0002258400000000, 0.0020509300000000, 0.0011122900000000 ] - [ -0.0000073300000000, 0.0019175300000000, 0.0011594300000000 ] - [ -0.0004472000000000, 0.0026772400000000, 0.0019604900000000 ] - [ -0.0000370200000000, 0.0006018000000000, 0.0018132400000000 ] - [ 0.0088231100000000, 0.0121619100000000, 0.0049091900000000 ] - [ -0.0049512600000000, 0.0008999500000000, 0.0006762100000000 ] - [ -0.0013989300000000, 0.0008235600000000, 0.0009691700000000 ] - [ 0.0011118800000000, 0.0006598300000000, 0.0016396300000000 ] - [ -0.0031663100000000, 0.0012745900000000, 0.0004226800000000 ] - [ -0.0000055500000000, 0.0038554300000000, 0.0022358200000000 ] - [ -0.0005174400000000, 0.0004131100000000, 0.0039510600000000 ] - [ -0.0015536700000000, 0.0003966900000000, 0.0033792200000000 ] - [ 0.0003733200000000, 0.0037413700000000, 0.0016579300000000 ] - [ 0.0002183800000000, 0.0035262200000000, 0.0016886900000000 ] - [ -0.0002171900000000, 0.0036259500000000, 0.0023313900000000 ] - [ -0.0034478600000000, -0.0011641700000000, -0.0008102700000000 ] - [ -0.0051634100000000, -0.0028212100000000, -0.0035550800000000 ] - [ -0.0037099600000000, -0.0013578000000000, -0.0006596200000000 ] - [ -0.0032705100000000, -0.0032067900000000, -0.0026394800000000 ] - [ -0.0040191500000000, -0.0013676400000000, -0.0015349600000000 ] - [ -0.0040781000000000, -0.0014367900000000, -0.0019022400000000 ] - [ 0.0001818800000000, -0.0021465700000000, 0.0010311600000000 ] - [ -0.0009040500000000, -0.0050886700000000, 0.0006354500000000 ] - [ 0.0005632500000000, -0.0050301800000000, 0.0016321000000000 ] - [ -0.0004757400000000, -0.0040383800000000, 0.0007640700000000 ] - [ 0.0002796300000000, -0.0041623400000000, 0.0012976900000000 ] - [ -0.0002041600000000, -0.0022190900000000, 0.0008493400000000 ] - [ 0.0055473400000000, -0.0012864200000000, 0.0048436700000000 ] - [ -0.0049611800000000, 0.0011309700000000, -0.0023538900000000 ] - [ -0.0008588500000000, 0.0000915600000000, 0.0052286600000000 ] - [ -0.0036364000000000, 0.0008875100000000, -0.0008090000000000 ] - [ -0.0028792600000000, 0.0007478400000000, -0.0002749600000000 ] - [ -0.0060315100000000, 0.0009880600000000, -0.0040748400000000 ] - [ -0.0000733800000000, -0.0040508100000000, 0.0020852500000000 ] - [ 0.0046398000000000, 0.0606318400000000, -0.0047855700000000 ] - [ -0.0001758300000000, -0.0032007200000000, 0.0027523800000000 ] - [ -0.0023241500000000, -0.0004816400000000, 0.0056530600000000 ] - [ -0.0005047100000000, -0.0031144000000000, 0.0026328600000000 ] - [ 0.0026312400000000, -0.0025139800000000, -0.0018942300000000 ] - [ 0.0035920000000000, -0.0000801500000000, 0.0026017900000000 ] - [ -0.0074009400000000, -0.0009467700000000, 0.0014966000000000 ] - [ 0.0005553100000000, 0.0001482500000000, 0.0022585800000000 ] - [ -0.0011026000000000, -0.0002910400000000, 0.0013079300000000 ] - [ 0.0001298900000000, -0.0001470900000000, 0.0017416200000000 ] - [ -0.0094129100000000, -0.0023120100000000, -0.0044426100000000 ] - [ -0.0006116700000000, -0.0120795400000000, 0.0018302500000000 ] - [ -0.0002829400000000, 0.0001734500000000, 0.0013836000000000 ] - [ -0.0018933100000000, -0.0065183700000000, 0.0037828200000000 ] - [ -0.0003674800000000, 0.0000586200000000, 0.0016110800000000 ] - [ 0.0001790000000000, -0.0015722300000000, 0.0006428200000000 ] - [ -0.0005380000000000, -0.0001319000000000, 0.0015058300000000 ] - [ 0.0024218600000000, -0.0017811500000000, 0.0019725300000000 ] - [ 0.0002904600000000, -0.0002793700000000, 0.0016719700000000 ] - [ 0.0010073400000000, -0.0021938100000000, 0.0006560500000000 ] - [ -0.0003611500000000, -0.0001324900000000, 0.0017064600000000 ] - [ 0.0007970600000000, -0.0004050800000000, 0.0016830000000000 ] - [ -0.0009088500000000, -0.0004062300000000, 0.0017506100000000 ] - [ 0.0041707600000000, 0.0053608800000000, -0.0042849100000000 ] - [ -0.0004393100000000, 0.0005532100000000, -0.0005369800000000 ] - [ 0.0126241500000000, 0.0520320000000000, -0.0173895100000000 ] - [ 0.0017109100000000, 0.0010708900000000, -0.0008859200000000 ] - [ -0.0001430100000000, -0.0007708400000000, 0.0017598700000000 ] - [ 0.0026930600000000, 0.0006978200000000, 0.0008351100000000 ] - [ 0.0013330900000000, -0.0047378200000000, -0.0030678500000000 ] - [ -0.0000431300000000, -0.0042668100000000, -0.0024072100000000 ] - [ 0.0040309800000000, -0.0043512300000000, -0.0000656500000000 ] - [ 0.0026432000000000, -0.0026171300000000, -0.0008635600000000 ] - [ 0.0008136000000000, -0.0025064000000000, -0.0016856200000000 ] - [ 0.0042110000000000, -0.0047124300000000, -0.0010137300000000 ] - [ 0.0006275800000000, 0.0019717200000000, -0.0012077800000000 ] - [ 0.0118253900000000, 0.0042961400000000, 0.0013350300000000 ] - [ -0.0042717500000000, 0.0042604800000000, -0.0091431800000000 ] - [ 0.0067415000000000, 0.0027544500000000, -0.0009368600000000 ] - [ 0.0001199200000000, 0.0028456800000000, -0.0055813300000000 ] - [ 0.0024913800000000, 0.0020014900000000, -0.0002504400000000 ] - [ 0.0005626900000000, 0.0083258000000000, 0.0010732200000000 ] - [ 0.0013155800000000, -0.0004592700000000, -0.0007917700000000 ] - [ -0.0006400900000000, 0.0042144400000000, 0.0027769800000000 ] - [ 0.0019440500000000, -0.0001383200000000, -0.0009974100000000 ] - [ 0.0011448900000000, 0.0015174000000000, 0.0000191800000000 ] - [ 0.0019318500000000, 0.0000495000000000, -0.0006473400000000 ] - [ -0.0211736500000000, -0.1865011300000000, 0.0330395300000000 ] - [ 0.0020078500000000, -0.0016011500000000, -0.0033523600000000 ] - [ 0.0052879200000000, -0.0102571900000000, -0.0080290800000000 ] - [ 0.0053432300000000, -0.0033391300000000, -0.0019118400000000 ] - [ 0.0005359500000000, -0.0102681900000000, 0.0003019600000000 ] - [ 0.0003553100000000, -0.0033396700000000, -0.0046311200000000 ] - [ 0.0035137700000000, 0.0003061300000000, -0.0028805700000000 ] - [ -0.0128275200000000, 0.0055689100000000, -0.0129152400000000 ] - [ 0.0178202600000000, 0.0055690600000000, 0.0068840000000000 ] - [ -0.0003916600000000, 0.0003049400000000, -0.0022009300000000 ] - [ 0.0017082900000000, 0.0006775500000000, -0.0007669300000000 ] - [ 0.0028197900000000, 0.0006786200000000, -0.0035154700000000 ] - [ 0.0014381700000000, 0.0056451000000000, -0.0052483200000000 ] - [ 0.0010537000000000, 0.0056499400000000, -0.0020067000000000 ] - [ 0.0021209300000000, 0.0057950200000000, -0.0015378900000000 ] - [ 0.0028359100000000, 0.0022398600000000, -0.0024676600000000 ] - [ 0.0013400300000000, 0.0022399000000000, -0.0031530800000000 ] - [ 0.0050407700000000, 0.0057903800000000, -0.0028238100000000 ] - [ -0.0223060300000000, 0.0235710800000000, 0.0348102100000000 ] - [ 0.0031488700000000, -0.0006315000000000, -0.0029654100000000 ] - [ 0.0209839700000000, 0.0236877300000000, -0.0312705300000000 ] - [ 0.0010416500000000, -0.0006322700000000, -0.0051301300000000 ] - [ 0.0019058900000000, 0.0016708300000000, -0.0025092700000000 ] - [ 0.0044637900000000, -0.0010819300000000, -0.0031557600000000 ]- atom: 121 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005472800000000, 0.0035219100000000, 0.0025525400000000 ] - [ -0.0039344100000000, -0.0062943200000000, 0.0081640900000000 ] - [ -0.0001092800000000, 0.0038268500000000, 0.0020342400000000 ] - [ -0.0258789100000000, -0.0399959400000000, 0.0416024200000000 ] - [ 0.0001418100000000, 0.0032975400000000, 0.0025135700000000 ] - [ -0.0002065300000000, 0.0038609900000000, 0.0023577000000000 ] - [ -0.0055739300000000, -0.0019062600000000, -0.0024776600000000 ] - [ -0.0063857000000000, -0.0015886100000000, -0.0045521600000000 ] - [ 0.0029981600000000, -0.0127514300000000, 0.0061845300000000 ] - [ -0.0038590900000000, -0.0012216000000000, -0.0007335500000000 ] - [ -0.0050760700000000, -0.0015230600000000, -0.0020528600000000 ] - [ -0.0026774900000000, -0.0013698100000000, 0.0003432800000000 ] - [ 0.0018942400000000, -0.0030548400000000, -0.0019660400000000 ] - [ -0.0005310700000000, -0.0022490900000000, 0.0012180300000000 ] - [ 0.0041084500000000, 0.0241469700000000, -0.0052804800000000 ] - [ -0.0001778400000000, -0.0015936100000000, 0.0011889400000000 ] - [ 0.0004006100000000, -0.0057190100000000, 0.0002450000000000 ] - [ 0.0000568000000000, -0.0022449000000000, 0.0012691700000000 ] - [ -0.0036100400000000, 0.0008634200000000, -0.0007074900000000 ] - [ -0.0113207900000000, 0.0073287300000000, -0.0189709800000000 ] - [ -0.0007079200000000, 0.0011587000000000, 0.0035086600000000 ] - [ -0.0049531900000000, 0.0013542500000000, 0.0009325600000000 ] - [ -0.0045887400000000, 0.0010065900000000, -0.0016108200000000 ] - [ -0.0038279600000000, 0.0013263200000000, -0.0022951400000000 ] - [ 0.0006814700000000, -0.0029896000000000, 0.0013135500000000 ] - [ -0.0028499000000000, -0.0011654200000000, 0.0032837700000000 ] - [ 0.0001814400000000, -0.0011539000000000, 0.0050660700000000 ] - [ -0.0005096000000000, -0.0035511700000000, 0.0025508500000000 ] - [ -0.0004555800000000, -0.0034287100000000, 0.0028994600000000 ] - [ 0.0004966900000000, -0.0028645500000000, 0.0013054400000000 ] - [ 0.0192671300000000, 0.0062670200000000, 0.0014635000000000 ] - [ -0.0010820800000000, -0.0001402600000000, 0.0017494000000000 ] - [ -0.0022642500000000, 0.0003450600000000, 0.0034952600000000 ] - [ 0.0010654300000000, -0.0000422300000000, 0.0020529000000000 ] - [ 0.0014805200000000, 0.0002923100000000, 0.0014006000000000 ] - [ -0.0057252100000000, 0.0001393100000000, 0.0009431500000000 ] - [ 0.0001882700000000, -0.0010255800000000, 0.0011284600000000 ] - [ -0.0012900100000000, -0.0015101300000000, -0.0001913400000000 ] - [ 0.0015679100000000, -0.0016029700000000, 0.0015679300000000 ] - [ -0.0004522500000000, -0.0003119500000000, 0.0017110400000000 ] - [ -0.0006708900000000, -0.0001757900000000, 0.0016635900000000 ] - [ -0.0002283900000000, -0.0009337800000000, 0.0008606500000000 ] - [ -0.0008084900000000, -0.0002421300000000, 0.0015292400000000 ] - [ -0.0095647400000000, -0.0117671300000000, -0.0014357200000000 ] - [ 0.0041974300000000, -0.0005470000000000, 0.0026923700000000 ] - [ 0.0005410200000000, -0.0004652600000000, 0.0023756600000000 ] - [ -0.0019809000000000, -0.0003019600000000, 0.0017048100000000 ] - [ 0.0023241600000000, -0.0009142600000000, 0.0029179900000000 ] - [ -0.0000117500000000, 0.0056692800000000, 0.0020059300000000 ] - [ 0.0005062700000000, 0.0091205300000000, 0.0002901700000000 ] - [ 0.0015359500000000, 0.0091367900000000, 0.0008575500000000 ] - [ -0.0003859300000000, 0.0057854400000000, 0.0025807400000000 ] - [ -0.0002334500000000, 0.0060018200000000, 0.0025487800000000 ] - [ 0.0002022700000000, 0.0058993700000000, 0.0019098500000000 ] - [ -0.0038535300000000, -0.0005230400000000, -0.0010404000000000 ] - [ -0.0021355500000000, 0.0011374800000000, 0.0017076400000000 ] - [ -0.0035940000000000, -0.0003290000000000, -0.0011940300000000 ] - [ -0.0040252000000000, 0.0015218000000000, 0.0007959800000000 ] - [ -0.0032832000000000, -0.0003193500000000, -0.0003176400000000 ] - [ -0.0032210400000000, -0.0002489700000000, 0.0000552000000000 ] - [ -0.0008628200000000, 0.0004133900000000, 0.0017948700000000 ] - [ 0.0002286700000000, 0.0033660300000000, 0.0021928500000000 ] - [ -0.0012467300000000, 0.0033078300000000, 0.0011909400000000 ] - [ -0.0002012500000000, 0.0023078500000000, 0.0020618800000000 ] - [ -0.0009601700000000, 0.0024322900000000, 0.0015256100000000 ] - [ -0.0004750000000000, 0.0004868500000000, 0.0019771200000000 ] - [ -0.0128937800000000, 0.0029930300000000, -0.0067153600000000 ] - [ -0.0023351300000000, 0.0005512500000000, 0.0005123600000000 ] - [ -0.0064517000000000, 0.0015832700000000, -0.0071080000000000 ] - [ -0.0036653400000000, 0.0007986300000000, -0.0010423600000000 ] - [ -0.0044212900000000, 0.0009381100000000, -0.0015733300000000 ] - [ -0.0012540000000000, 0.0006966900000000, 0.0022448300000000 ] - [ 0.0000574000000000, -0.0054747700000000, 0.0021564600000000 ] - [ -0.0041333100000000, -0.0750645000000000, 0.0082179900000000 ] - [ 0.0001640400000000, -0.0063330200000000, 0.0014824700000000 ] - [ 0.0022909200000000, -0.0090920700000000, -0.0013852400000000 ] - [ 0.0004919500000000, -0.0064197800000000, 0.0016032800000000 ] - [ -0.0026530100000000, -0.0070383200000000, 0.0061442200000000 ] - [ -0.0044646000000000, -0.0002817900000000, 0.0007346400000000 ] - [ 0.0065838100000000, 0.0005749800000000, 0.0018435100000000 ] - [ -0.0014084200000000, -0.0005136700000000, 0.0010835100000000 ] - [ 0.0002501000000000, -0.0000703100000000, 0.0020343500000000 ] - [ -0.0009833000000000, -0.0002140100000000, 0.0016012000000000 ] - [ 0.0086030400000000, 0.0019713300000000, 0.0078179900000000 ] - [ -0.0000733900000000, 0.0137982100000000, 0.0010040500000000 ] - [ -0.0003964700000000, 0.0015538400000000, 0.0014421100000000 ] - [ 0.0012260900000000, 0.0082779400000000, -0.0009758100000000 ] - [ -0.0003116700000000, 0.0016706300000000, 0.0012128300000000 ] - [ -0.0008634100000000, 0.0033063800000000, 0.0021902500000000 ] - [ -0.0001401500000000, 0.0018592100000000, 0.0013190600000000 ] - [ -0.0032735200000000, 0.0021447800000000, 0.0013691400000000 ] - [ -0.0011344800000000, 0.0006395100000000, 0.0016713300000000 ] - [ -0.0018634700000000, 0.0025561600000000, 0.0026845600000000 ] - [ -0.0004882400000000, 0.0004926300000000, 0.0016363300000000 ] - [ -0.0016501700000000, 0.0007666300000000, 0.0016591500000000 ] - [ 0.0000646100000000, 0.0007668000000000, 0.0015930100000000 ] - [ -0.0004132500000000, -0.0025740200000000, 0.0021978300000000 ] - [ 0.0041814800000000, 0.0022088500000000, -0.0015309600000000 ] - [ -0.0090170000000000, -0.0487427100000000, 0.0155334100000000 ] - [ 0.0020373700000000, 0.0016976500000000, -0.0011844400000000 ] - [ 0.0038867900000000, 0.0035343600000000, -0.0038246100000000 ] - [ 0.0010516800000000, 0.0020624800000000, -0.0028996900000000 ] - [ 0.0024027100000000, 0.0019616400000000, 0.0010032100000000 ] - [ 0.0039340200000000, 0.0014435000000000, 0.0003372100000000 ] - [ -0.0003428200000000, 0.0015277100000000, -0.0021342700000000 ] - [ 0.0011097400000000, -0.0001607500000000, -0.0012119100000000 ] - [ 0.0029419000000000, -0.0002742900000000, -0.0003933100000000 ] - [ -0.0004671800000000, 0.0019332700000000, -0.0010488800000000 ] - [ 0.0031269000000000, 0.0008070000000000, -0.0008694100000000 ] - [ -0.0081458000000000, -0.0015246000000000, -0.0034232200000000 ] - [ 0.0080610700000000, -0.0014893400000000, 0.0071271700000000 ] - [ -0.0030111300000000, 0.0000243500000000, -0.0011433800000000 ] - [ 0.0036410600000000, -0.0000668200000000, 0.0035234100000000 ] - [ 0.0012590300000000, 0.0007772600000000, -0.0018268500000000 ] - [ 0.0031835200000000, -0.0111501700000000, -0.0031424800000000 ] - [ 0.0024308900000000, -0.0023144000000000, -0.0012798400000000 ] - [ 0.0043951600000000, -0.0070187500000000, -0.0048600100000000 ] - [ 0.0018055400000000, -0.0026373500000000, -0.0010724300000000 ] - [ 0.0026053600000000, -0.0043025100000000, -0.0020943000000000 ] - [ 0.0018133100000000, -0.0028240100000000, -0.0014230100000000 ] - [ 0.0268269700000000, 0.1907525600000000, -0.0403733500000000 ] - [ 0.0030928300000000, 0.0012158700000000, -0.0031357800000000 ] - [ -0.0001485000000000, 0.0098814000000000, 0.0014833900000000 ] - [ -0.0002836200000000, 0.0029624900000000, -0.0046039900000000 ] - [ 0.0045559000000000, 0.0098706000000000, -0.0067871200000000 ] - [ 0.0047834900000000, 0.0029619200000000, -0.0018390000000000 ] - [ 0.0015894500000000, 0.0000707400000000, -0.0036016000000000 ] - [ 0.0178610200000000, -0.0052272800000000, 0.0064007800000000 ] - [ -0.0126737600000000, -0.0052269400000000, -0.0133239500000000 ] - [ 0.0054843600000000, 0.0000693500000000, -0.0042873300000000 ] - [ 0.0033922300000000, -0.0003060100000000, -0.0057147000000000 ] - [ 0.0022682800000000, -0.0003045100000000, -0.0029742500000000 ] - [ 0.0036712600000000, -0.0060478600000000, -0.0012363300000000 ] - [ 0.0040280400000000, -0.0060428800000000, -0.0044821900000000 ] - [ 0.0029819900000000, -0.0061886900000000, -0.0049363000000000 ] - [ 0.0022567000000000, -0.0026325800000000, -0.0040196200000000 ] - [ 0.0037600900000000, -0.0026323300000000, -0.0033297500000000 ] - [ 0.0000484600000000, -0.0061933100000000, -0.0036734800000000 ] - [ 0.0276757800000000, -0.0234922700000000, -0.0417160800000000 ] - [ 0.0019481300000000, 0.0010357500000000, -0.0035236000000000 ] - [ -0.0160716700000000, -0.0233745000000000, 0.0250649100000000 ] - [ 0.0040640400000000, 0.0010345000000000, -0.0013420400000000 ] - [ 0.0032011500000000, -0.0012703700000000, -0.0039914500000000 ] - [ 0.0006173600000000, 0.0014921500000000, -0.0033341200000000 ]- atom: 121 displacement: [ -0.0054706835898182, 0.0000000000000000, 0.0083708793480789 ] forces: - [ -0.0001725700000000, 0.0044587500000000, 0.0020642000000000 ] - [ 0.0060854000000000, 0.0046277300000000, -0.0071612100000000 ] - [ 0.0005673300000000, 0.0048756500000000, 0.0019358500000000 ] - [ -0.0688104300000000, -0.0308257600000000, 0.1070077400000000 ] - [ -0.0006006900000000, 0.0041737200000000, 0.0026306100000000 ] - [ 0.0042389600000000, 0.0076031100000000, -0.0043682300000000 ] - [ 0.0006895300000000, -0.0000833800000000, 0.0013723700000000 ] - [ -0.0062368100000000, -0.0008994400000000, -0.0027498100000000 ] - [ -0.0056594300000000, -0.0005415000000000, 0.0227138700000000 ] - [ -0.0021381200000000, -0.0008632000000000, 0.0010846400000000 ] - [ -0.0057016800000000, -0.0007024800000000, -0.0056550200000000 ] - [ -0.0045238300000000, -0.0008656000000000, -0.0027499100000000 ] - [ 0.0010316800000000, 0.0061703100000000, -0.0006660700000000 ] - [ -0.0004240100000000, -0.0001050600000000, 0.0014602400000000 ] - [ -0.0172712600000000, -0.0026500500000000, 0.0271527600000000 ] - [ -0.0000660300000000, -0.0005552600000000, 0.0014172200000000 ] - [ 0.0017910500000000, -0.0045153800000000, -0.0018286200000000 ] - [ -0.0006837100000000, -0.0000888700000000, 0.0016008900000000 ] - [ -0.0027465900000000, 0.0010061000000000, 0.0000708800000000 ] - [ -0.0016986800000000, -0.0011015900000000, 0.0105089500000000 ] - [ -0.0050826700000000, 0.0009323500000000, -0.0027836300000000 ] - [ -0.0021191500000000, 0.0006506900000000, -0.0005673400000000 ] - [ -0.0038865800000000, 0.0008421200000000, -0.0014326200000000 ] - [ -0.0048789800000000, 0.0023221300000000, -0.0045610100000000 ] - [ -0.0000987700000000, -0.0046600200000000, 0.0028377400000000 ] - [ 0.0005855000000000, -0.0044881700000000, 0.0026373800000000 ] - [ -0.0009020800000000, -0.0044215800000000, 0.0019017000000000 ] - [ 0.0009297000000000, -0.0053943900000000, 0.0011787000000000 ] - [ 0.0005497400000000, -0.0053246200000000, 0.0009395500000000 ] - [ -0.0007454800000000, -0.0045191000000000, 0.0026633700000000 ] - [ -0.0120861300000000, -0.0020792200000000, 0.0043974400000000 ] - [ 0.0012615500000000, -0.0001229300000000, 0.0018107200000000 ] - [ -0.0010041400000000, -0.0003726600000000, 0.0004925200000000 ] - [ -0.0018882900000000, -0.0000107400000000, 0.0013499900000000 ] - [ 0.0034640500000000, 0.0012951300000000, 0.0013353800000000 ] - [ 0.0009268500000000, -0.0001562900000000, 0.0020023600000000 ] - [ 0.0006695000000000, 0.0027248300000000, 0.0013928600000000 ] - [ 0.0000837900000000, 0.0048052800000000, 0.0028059600000000 ] - [ -0.0018893700000000, 0.0049841400000000, 0.0015416600000000 ] - [ 0.0003886300000000, 0.0002401600000000, 0.0010617800000000 ] - [ -0.0002886700000000, 0.0002681900000000, 0.0006716500000000 ] - [ -0.0007483000000000, 0.0029400800000000, 0.0005749500000000 ] - [ 0.0029733500000000, 0.0001787300000000, 0.0017951400000000 ] - [ -0.0219545800000000, 0.0004628500000000, 0.0129509400000000 ] - [ 0.0008089800000000, 0.0001199400000000, 0.0030416800000000 ] - [ 0.0049517200000000, 0.0003070900000000, 0.0016215100000000 ] - [ -0.0028286000000000, 0.0001600500000000, 0.0012783500000000 ] - [ -0.0038143000000000, 0.0009365600000000, -0.0011940300000000 ] - [ 0.0006830800000000, 0.0057260200000000, 0.0014453200000000 ] - [ -0.0006961800000000, 0.0036105600000000, 0.0035219200000000 ] - [ -0.0010618900000000, 0.0036650200000000, 0.0032516800000000 ] - [ 0.0007707300000000, 0.0051247100000000, 0.0016288500000000 ] - [ -0.0000136700000000, 0.0049733600000000, 0.0014047500000000 ] - [ 0.0002835100000000, 0.0056335900000000, 0.0014413900000000 ] - [ -0.0032239600000000, -0.0008262400000000, -0.0006449600000000 ] - [ -0.0047897800000000, -0.0013322300000000, -0.0024672700000000 ] - [ -0.0033575900000000, -0.0009961900000000, -0.0004382600000000 ] - [ -0.0021626100000000, -0.0011063800000000, 0.0015123600000000 ] - [ -0.0047130000000000, -0.0008489600000000, -0.0022405400000000 ] - [ -0.0032474200000000, -0.0009851700000000, -0.0017391100000000 ] - [ 0.0001044800000000, -0.0012431700000000, 0.0009242400000000 ] - [ -0.0011456100000000, -0.0029661600000000, 0.0015751700000000 ] - [ -0.0001857100000000, -0.0030793200000000, 0.0021473400000000 ] - [ 0.0007150600000000, 0.0009428200000000, 0.0014400200000000 ] - [ -0.0008618500000000, 0.0008222000000000, 0.0005287700000000 ] - [ -0.0000313600000000, -0.0014730100000000, 0.0008983300000000 ] - [ 0.0003897500000000, -0.0008301200000000, 0.0036520700000000 ] - [ -0.0018944800000000, 0.0005088500000000, 0.0018765700000000 ] - [ -0.0082561800000000, 0.0027838100000000, -0.0080531900000000 ] - [ -0.0030398100000000, 0.0008336000000000, -0.0009579200000000 ] - [ -0.0027219000000000, 0.0006074500000000, -0.0013967000000000 ] - [ -0.0056941400000000, 0.0006868600000000, -0.0032766600000000 ] - [ 0.0006489100000000, -0.0052371900000000, 0.0017244800000000 ] - [ -0.0066503900000000, -0.0150707300000000, 0.0122229400000000 ] - [ 0.0000228000000000, -0.0049812000000000, 0.0023063200000000 ] - [ 0.0046819300000000, -0.0026748500000000, -0.0050859400000000 ] - [ -0.0005943600000000, -0.0047602700000000, 0.0021784000000000 ] - [ 0.0053344000000000, -0.0102371100000000, -0.0059973200000000 ] - [ 0.0017312200000000, -0.0003011200000000, 0.0023332200000000 ] - [ 0.0076997200000000, 0.0017899000000000, 0.0029067300000000 ] - [ -0.0045273500000000, -0.0005090900000000, 0.0011679800000000 ] - [ 0.0003614400000000, -0.0003964700000000, 0.0008053600000000 ] - [ 0.0010071700000000, -0.0002250500000000, 0.0013775100000000 ] - [ -0.0066778700000000, -0.0018762400000000, -0.0002415300000000 ] - [ -0.0023201000000000, -0.0074462400000000, 0.0044156600000000 ] - [ -0.0000856800000000, 0.0005760100000000, 0.0013504800000000 ] - [ 0.0027835200000000, 0.0081844100000000, -0.0033667800000000 ] - [ -0.0003374700000000, 0.0005198700000000, 0.0015690500000000 ] - [ 0.0005612800000000, 0.0002024700000000, 0.0000794100000000 ] - [ -0.0006997700000000, 0.0004356600000000, 0.0014804200000000 ] - [ 0.0011633300000000, -0.0003069200000000, 0.0020254400000000 ] - [ 0.0010426700000000, 0.0001844000000000, 0.0018987400000000 ] - [ -0.0034274800000000, -0.0000878700000000, 0.0012772900000000 ] - [ 0.0001008000000000, 0.0001298900000000, 0.0016168300000000 ] - [ 0.0006062700000000, 0.0000476600000000, 0.0010588700000000 ] - [ -0.0017750800000000, 0.0000854300000000, 0.0015924200000000 ] - [ 0.0003507400000000, -0.0077120900000000, 0.0012450400000000 ] - [ 0.0013258400000000, 0.0007125400000000, -0.0004883600000000 ] - [ 0.0111376600000000, 0.0241134500000000, -0.0149524700000000 ] - [ 0.0008684600000000, 0.0010325600000000, -0.0013018800000000 ] - [ 0.0015069100000000, 0.0022992900000000, -0.0006581100000000 ] - [ 0.0027586800000000, 0.0006093300000000, -0.0002991200000000 ] - [ -0.0027745400000000, -0.0025029700000000, -0.0037820700000000 ] - [ 0.0000665700000000, -0.0050007800000000, -0.0086613000000000 ] - [ 0.0102130800000000, -0.0052491500000000, -0.0022457700000000 ] - [ -0.0020457900000000, -0.0009064300000000, -0.0009180500000000 ] - [ 0.0032634700000000, -0.0009203600000000, 0.0023350100000000 ] - [ 0.0062085500000000, -0.0026936100000000, 0.0015237600000000 ] - [ 0.0003386200000000, 0.0018123600000000, -0.0002329400000000 ] - [ 0.0083617900000000, 0.0032183900000000, -0.0010305700000000 ] - [ -0.0004040100000000, 0.0033248500000000, -0.0067966700000000 ] - [ -0.0045522000000000, 0.0008782900000000, -0.0015901900000000 ] - [ 0.0053588700000000, 0.0009825400000000, 0.0044515700000000 ] - [ 0.0014394800000000, 0.0020327900000000, 0.0000427600000000 ] - [ 0.0014307600000000, 0.0022069600000000, -0.0001847400000000 ] - [ 0.0008973400000000, -0.0012432100000000, -0.0009591700000000 ] - [ 0.0031248700000000, -0.0046790500000000, -0.0028730700000000 ] - [ 0.0016846800000000, -0.0010484000000000, -0.0011627000000000 ] - [ 0.0008482800000000, -0.0006990600000000, 0.0002988700000000 ] - [ 0.0027298800000000, -0.0011055700000000, -0.0005123600000000 ] - [ 0.1290841400000000, 0.0455457600000000, -0.1959026500000000 ] - [ -0.0007641800000000, 0.0000074700000000, -0.0045117700000000 ] - [ -0.0115045900000000, 0.0038454500000000, 0.0180949200000000 ] - [ 0.0036194900000000, -0.0001477900000000, -0.0035242600000000 ] - [ -0.0115170100000000, -0.0056039700000000, 0.0178088900000000 ] - [ 0.0052976100000000, -0.0006024400000000, -0.0024375800000000 ] - [ -0.0010207000000000, -0.0022745300000000, -0.0038005800000000 ] - [ -0.0019762600000000, 0.0000496300000000, -0.0081000300000000 ] - [ 0.0094932200000000, -0.0001430300000000, -0.0006024000000000 ] - [ -0.0008789300000000, 0.0004225700000000, -0.0037190000000000 ] - [ 0.0038904400000000, 0.0005721300000000, -0.0008885700000000 ] - [ 0.0045336500000000, -0.0023286200000000, -0.0004554200000000 ] - [ 0.0015206400000000, 0.0016617300000000, -0.0047964300000000 ] - [ 0.0001037100000000, -0.0012660600000000, -0.0057400600000000 ] - [ 0.0062274300000000, -0.0012065200000000, -0.0020791200000000 ] - [ 0.0010743600000000, 0.0005421700000000, -0.0017286800000000 ] - [ 0.0010430500000000, 0.0002963100000000, -0.0017509500000000 ] - [ 0.0049951800000000, 0.0014701100000000, -0.0028687200000000 ] - [ -0.0048491100000000, 0.0336644000000000, 0.0084372500000000 ] - [ 0.0004736600000000, 0.0009582200000000, -0.0041577200000000 ] - [ -0.0047965100000000, -0.0456114500000000, 0.0083196700000000 ] - [ 0.0007609500000000, 0.0002893600000000, -0.0039571700000000 ] - [ -0.0029817800000000, -0.0007964500000000, 0.0045287800000000 ] - [ 0.0064867600000000, 0.0011772100000000, -0.0017320200000000 ]- atom: 121 displacement: [ 0.0054706835898182, 0.0000000000000000, -0.0083708793480789 ] forces: - [ 0.0001438800000000, 0.0050522400000000, 0.0021839200000000 ] - [ -0.0061271000000000, 0.0049094400000000, 0.0114422600000000 ] - [ -0.0005799000000000, 0.0046482000000000, 0.0022967700000000 ] - [ 0.0645820800000000, 0.0363392400000000, -0.0963370300000000 ] - [ 0.0005925600000000, 0.0053419500000000, 0.0016150200000000 ] - [ -0.0042801600000000, 0.0019348400000000, 0.0086471600000000 ] - [ -0.0080475100000000, -0.0016121100000000, -0.0032583800000000 ] - [ -0.0011648300000000, -0.0007923900000000, 0.0008093100000000 ] - [ -0.0016815600000000, -0.0011655200000000, -0.0245374000000000 ] - [ -0.0051646100000000, -0.0008233300000000, -0.0029243700000000 ] - [ -0.0016254500000000, -0.0009832700000000, 0.0037731200000000 ] - [ -0.0027432900000000, -0.0008208800000000, 0.0009485900000000 ] - [ -0.0017217500000000, -0.0080123200000000, 0.0035084600000000 ] - [ -0.0002585800000000, -0.0016202500000000, 0.0013652400000000 ] - [ 0.0162328200000000, 0.0017582000000000, -0.0237793300000000 ] - [ -0.0006111600000000, -0.0011739500000000, 0.0014033300000000 ] - [ -0.0024700900000000, 0.0027568200000000, 0.0046528900000000 ] - [ 0.0000095300000000, -0.0016350400000000, 0.0012234400000000 ] - [ -0.0045642500000000, 0.0006796800000000, -0.0019314700000000 ] - [ -0.0056094200000000, 0.0027660600000000, -0.0123738500000000 ] - [ -0.0022094100000000, 0.0007577500000000, 0.0009451400000000 ] - [ -0.0051816100000000, 0.0010340200000000, -0.0012683100000000 ] - [ -0.0034237200000000, 0.0008466200000000, -0.0004247300000000 ] - [ -0.0024013900000000, -0.0006549100000000, 0.0027600000000000 ] - [ 0.0000885900000000, -0.0048719000000000, 0.0013871700000000 ] - [ -0.0006063800000000, -0.0050183600000000, 0.0016109400000000 ] - [ 0.0008833600000000, -0.0050863100000000, 0.0023449900000000 ] - [ -0.0009462200000000, -0.0041268800000000, 0.0030660500000000 ] - [ -0.0005713600000000, -0.0041942300000000, 0.0033057500000000 ] - [ 0.0007428000000000, -0.0050119400000000, 0.0015669800000000 ] - [ 0.0112564000000000, 0.0016965300000000, -0.0010540500000000 ] - [ -0.0021135400000000, -0.0002373300000000, 0.0015347800000000 ] - [ 0.0001356400000000, 0.0000104300000000, 0.0028546000000000 ] - [ 0.0010646500000000, -0.0003489000000000, 0.0019977400000000 ] - [ -0.0043614300000000, -0.0016752400000000, 0.0020092300000000 ] - [ -0.0017877000000000, -0.0002006300000000, 0.0013395900000000 ] - [ -0.0013530100000000, -0.0010088800000000, 0.0014208400000000 ] - [ -0.0007903400000000, -0.0030036900000000, 0.0000290700000000 ] - [ 0.0012131000000000, -0.0031830800000000, 0.0013113300000000 ] - [ -0.0010661500000000, 0.0014842000000000, 0.0017659200000000 ] - [ -0.0003951600000000, 0.0014619400000000, 0.0021533000000000 ] - [ 0.0000826900000000, -0.0012190500000000, 0.0022496900000000 ] - [ -0.0038475300000000, 0.0001834800000000, 0.0015429500000000 ] - [ 0.0211058900000000, -0.0001229900000000, -0.0095611000000000 ] - [ -0.0015259700000000, 0.0002359300000000, 0.0003570400000000 ] - [ -0.0057755700000000, 0.0000548600000000, 0.0017277000000000 ] - [ 0.0019313800000000, 0.0001991700000000, 0.0020638500000000 ] - [ 0.0030354300000000, -0.0005850400000000, 0.0045770200000000 ] - [ -0.0007013500000000, 0.0037861900000000, 0.0027934400000000 ] - [ 0.0006849300000000, 0.0059225300000000, 0.0007136800000000 ] - [ 0.0010506300000000, 0.0058683700000000, 0.0009819900000000 ] - [ -0.0007890600000000, 0.0043922000000000, 0.0026172000000000 ] - [ -0.0000060200000000, 0.0045456900000000, 0.0028400600000000 ] - [ -0.0002947300000000, 0.0038806600000000, 0.0027990400000000 ] - [ -0.0040834300000000, -0.0008607400000000, -0.0012079400000000 ] - [ -0.0025075400000000, -0.0003581700000000, 0.0006120000000000 ] - [ -0.0039434400000000, -0.0006913700000000, -0.0014108000000000 ] - [ -0.0051427700000000, -0.0005753800000000, -0.0033524700000000 ] - [ -0.0025901100000000, -0.0008381600000000, 0.0003909900000000 ] - [ -0.0040530000000000, -0.0007028200000000, -0.0001037600000000 ] - [ -0.0007840600000000, -0.0004844000000000, 0.0018984300000000 ] - [ 0.0004758200000000, 0.0012236100000000, 0.0012402800000000 ] - [ -0.0004875300000000, 0.0013380000000000, 0.0006651300000000 ] - [ -0.0013941400000000, -0.0026765300000000, 0.0013867000000000 ] - [ 0.0001812200000000, -0.0025573900000000, 0.0022961200000000 ] - [ -0.0006446900000000, -0.0002548000000000, 0.0019250000000000 ] - [ -0.0076729100000000, 0.0025259500000000, -0.0055369400000000 ] - [ -0.0054131700000000, 0.0011758100000000, -0.0037250200000000 ] - [ 0.0009526800000000, -0.0010943800000000, 0.0061992700000000 ] - [ -0.0042563700000000, 0.0008540200000000, -0.0008814700000000 ] - [ -0.0045909700000000, 0.0010836100000000, -0.0004581700000000 ] - [ -0.0016032700000000, 0.0009992600000000, 0.0014217200000000 ] - [ -0.0006676700000000, -0.0042796400000000, 0.0025182600000000 ] - [ 0.0067759700000000, 0.0055704400000000, -0.0081967300000000 ] - [ -0.0000303300000000, -0.0045472800000000, 0.0019293400000000 ] - [ -0.0047907500000000, -0.0068803600000000, 0.0094687300000000 ] - [ 0.0005772000000000, -0.0047682500000000, 0.0020603400000000 ] - [ -0.0054001400000000, 0.0008082200000000, 0.0103145000000000 ] - [ -0.0025698600000000, -0.0000592600000000, 0.0010053500000000 ] - [ -0.0085483800000000, -0.0021478000000000, 0.0004365700000000 ] - [ 0.0036751400000000, 0.0001460300000000, 0.0021787600000000 ] - [ -0.0012010200000000, 0.0000406100000000, 0.0025454400000000 ] - [ -0.0018698200000000, -0.0001347500000000, 0.0019668100000000 ] - [ 0.0058579500000000, 0.0015246900000000, 0.0035547400000000 ] - [ 0.0016672700000000, 0.0091714100000000, -0.0016301500000000 ] - [ -0.0005935000000000, 0.0011522600000000, 0.0014732500000000 ] - [ -0.0034561100000000, -0.0064327400000000, 0.0061817000000000 ] - [ -0.0003382800000000, 0.0012087600000000, 0.0012524000000000 ] - [ -0.0012401100000000, 0.0015342000000000, 0.0027452100000000 ] - [ 0.0000218700000000, 0.0012917000000000, 0.0013430000000000 ] - [ -0.0020059600000000, 0.0006638900000000, 0.0013122700000000 ] - [ -0.0018955000000000, 0.0001761600000000, 0.0014467300000000 ] - [ 0.0025697700000000, 0.0004535000000000, 0.0020728500000000 ] - [ -0.0009437400000000, 0.0002297200000000, 0.0017289500000000 ] - [ -0.0014623500000000, 0.0003115900000000, 0.0022862800000000 ] - [ 0.0009294900000000, 0.0002745300000000, 0.0017518000000000 ] - [ 0.0034131100000000, 0.0106144000000000, -0.0033439100000000 ] - [ 0.0024315600000000, 0.0020547600000000, -0.0015811400000000 ] - [ -0.0074388900000000, -0.0212149700000000, 0.0129550600000000 ] - [ 0.0028814100000000, 0.0017401800000000, -0.0007648000000000 ] - [ 0.0022557100000000, 0.0005019600000000, -0.0014328100000000 ] - [ 0.0009747000000000, 0.0021556800000000, -0.0017754200000000 ] - [ 0.0065627000000000, -0.0002629500000000, 0.0017735500000000 ] - [ 0.0039224700000000, 0.0022073100000000, 0.0064982000000000 ] - [ -0.0064832400000000, 0.0024555100000000, -0.0000824400000000 ] - [ 0.0057776200000000, -0.0018639300000000, -0.0011654500000000 ] - [ 0.0005162000000000, -0.0018547200000000, -0.0043994600000000 ] - [ -0.0025406100000000, -0.0000764000000000, -0.0036168000000000 ] - [ 0.0034228400000000, 0.0009537000000000, -0.0018329500000000 ] - [ -0.0046299400000000, -0.0004191300000000, -0.0010131400000000 ] - [ 0.0041285400000000, -0.0005269200000000, 0.0047507000000000 ] - [ 0.0082923000000000, 0.0018974100000000, -0.0004885500000000 ] - [ -0.0015986600000000, 0.0017952200000000, -0.0065164200000000 ] - [ 0.0022961900000000, 0.0007342500000000, -0.0021225500000000 ] - [ 0.0023099600000000, -0.0050077300000000, -0.0018776000000000 ] - [ 0.0028550400000000, -0.0015285400000000, -0.0011122100000000 ] - [ 0.0006360900000000, 0.0018794500000000, 0.0007826400000000 ] - [ 0.0020586800000000, -0.0017234300000000, -0.0009090300000000 ] - [ 0.0029035800000000, -0.0020719300000000, -0.0023766500000000 ] - [ 0.0010176100000000, -0.0016663900000000, -0.0015591900000000 ] - [ -0.1194822600000000, -0.0422761300000000, 0.1825240400000000 ] - [ 0.0058758100000000, -0.0004050300000000, -0.0019660900000000 ] - [ 0.0165881500000000, -0.0042872700000000, -0.0245474200000000 ] - [ 0.0014035800000000, -0.0002333800000000, -0.0030090400000000 ] - [ 0.0168444200000000, 0.0053340900000000, -0.0246600700000000 ] - [ -0.0001342100000000, 0.0002224800000000, -0.0040247400000000 ] - [ 0.0061551300000000, 0.0026866300000000, -0.0026592600000000 ] - [ 0.0070735400000000, 0.0002838000000000, 0.0016365700000000 ] - [ -0.0044232600000000, 0.0004773300000000, -0.0058743400000000 ] - [ 0.0059779100000000, -0.0000266700000000, -0.0027858900000000 ] - [ 0.0012319200000000, -0.0001823600000000, -0.0056006200000000 ] - [ 0.0005138500000000, 0.0027351100000000, -0.0060565500000000 ] - [ 0.0035649600000000, -0.0020375500000000, -0.0016732200000000 ] - [ 0.0049979400000000, 0.0008709200000000, -0.0007549300000000 ] - [ -0.0011240400000000, 0.0008128600000000, -0.0044108100000000 ] - [ 0.0040152900000000, -0.0009299100000000, -0.0047675600000000 ] - [ 0.0040680600000000, -0.0006856600000000, -0.0047357500000000 ] - [ 0.0000867100000000, -0.0018457700000000, -0.0036041600000000 ] - [ 0.0097389900000000, -0.0337663200000000, -0.0146124300000000 ] - [ 0.0046397700000000, -0.0005591800000000, -0.0023310400000000 ] - [ 0.0098298100000000, 0.0457918000000000, -0.0147056100000000 ] - [ 0.0043195600000000, 0.0001000500000000, -0.0025270900000000 ] - [ 0.0081240900000000, 0.0011530700000000, -0.0110844800000000 ] - [ -0.0013931700000000, -0.0007782500000000, -0.0047511700000000 ]