# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/71f86368-bcb3-471d-bba8-ac747dbe9ac3/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 Ca(B3O5)2 / P2_1/c (14) / materials id 558358](https://mdr.nims.go.jp/datasets/9458820d-a309-4e07-9295-da3de2c2e0f2) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 9.819766270000001, 0.000000000000000, -0.020289590000000 ] # a - [ 0.000000000000000, 8.735369170000000, 0.000000000000000 ] # b - [ -4.116865090000000, 0.000000000000000, 8.138256930000001 ] # c points: - symbol: Ca # 1 coordinates: [ 0.280231000000000, 0.883175110000000, 0.035790310000000 ] mass: 40.078000 - symbol: Ca # 2 coordinates: [ 0.280231000000000, 0.616824890000000, 0.535790310000000 ] mass: 40.078000 - symbol: Ca # 3 coordinates: [ 0.719769000000000, 0.116824890000000, 0.964209690000000 ] mass: 40.078000 - symbol: Ca # 4 coordinates: [ 0.719769000000000, 0.383175110000000, 0.464209690000000 ] mass: 40.078000 - symbol: B # 5 coordinates: [ 0.582056700000000, 0.736503590000000, 0.877325950000000 ] mass: 10.811000 - symbol: B # 6 coordinates: [ 0.417943300000000, 0.236503590000000, 0.622674050000000 ] mass: 10.811000 - symbol: B # 7 coordinates: [ 0.002619140000000, 0.769663680000000, 0.438452690000000 ] mass: 10.811000 - symbol: B # 8 coordinates: [ 0.418060950000000, 0.976140350000000, 0.736478290000000 ] mass: 10.811000 - symbol: B # 9 coordinates: [ 0.056709760000000, 0.880267770000000, 0.217496240000000 ] mass: 10.811000 - symbol: B # 10 coordinates: [ 0.824053260000000, 0.557563770000000, 0.751160290000000 ] mass: 10.811000 - symbol: B # 11 coordinates: [ 0.281415930000000, 0.031200610000000, 0.438026380000000 ] mass: 10.811000 - symbol: B # 12 coordinates: [ 0.997380860000000, 0.269663680000000, 0.061547310000000 ] mass: 10.811000 - symbol: B # 13 coordinates: [ 0.581939050000000, 0.476140350000000, 0.763521710000000 ] mass: 10.811000 - symbol: B # 14 coordinates: [ 0.002619140000000, 0.730336320000000, 0.938452690000000 ] mass: 10.811000 - symbol: B # 15 coordinates: [ 0.582056700000000, 0.763496410000000, 0.377325950000000 ] mass: 10.811000 - symbol: B # 16 coordinates: [ 0.581939050000000, 0.023859650000000, 0.263521710000000 ] mass: 10.811000 - symbol: B # 17 coordinates: [ 0.175946740000000, 0.057563770000000, 0.748839710000000 ] mass: 10.811000 - symbol: B # 18 coordinates: [ 0.417943300000000, 0.263496410000000, 0.122674050000000 ] mass: 10.811000 - symbol: B # 19 coordinates: [ 0.943290240000000, 0.119732230000000, 0.782503760000000 ] mass: 10.811000 - symbol: B # 20 coordinates: [ 0.175946740000000, 0.442436230000000, 0.248839710000000 ] mass: 10.811000 - symbol: B # 21 coordinates: [ 0.718584070000000, 0.531200610000000, 0.061973620000000 ] mass: 10.811000 - symbol: B # 22 coordinates: [ 0.943290240000000, 0.380267770000000, 0.282503760000000 ] mass: 10.811000 - symbol: B # 23 coordinates: [ 0.418060950000000, 0.523859650000000, 0.236478290000000 ] mass: 10.811000 - symbol: B # 24 coordinates: [ 0.056709760000000, 0.619732230000000, 0.717496240000000 ] mass: 10.811000 - symbol: B # 25 coordinates: [ 0.718584070000000, 0.968799390000000, 0.561973620000000 ] mass: 10.811000 - symbol: B # 26 coordinates: [ 0.997380860000000, 0.230336320000000, 0.561547310000000 ] mass: 10.811000 - symbol: B # 27 coordinates: [ 0.281415930000000, 0.468799390000000, 0.938026380000000 ] mass: 10.811000 - symbol: B # 28 coordinates: [ 0.824053260000000, 0.942436230000000, 0.251160290000000 ] mass: 10.811000 - symbol: O # 29 coordinates: [ 0.694827540000000, 0.030535860000000, 0.196596700000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.072305330000000, 0.687740110000000, 0.579615480000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.305172460000000, 0.969464140000000, 0.803403300000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.477754040000000, 0.365639250000000, 0.251175770000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.551673090000000, 0.610613690000000, 0.350755110000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.126406550000000, 0.141856510000000, 0.605305180000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.670804800000000, 0.683755180000000, 0.034165020000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.522245960000000, 0.865639250000000, 0.248824230000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.670804800000000, 0.816244820000000, 0.534165020000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.821196970000000, 0.495509370000000, 0.218958890000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.551673090000000, 0.889386310000000, 0.850755110000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.329195200000000, 0.183755180000000, 0.465834980000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.927694670000000, 0.187740110000000, 0.920384520000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.903474090000000, 0.949159840000000, 0.160682700000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.329195200000000, 0.316244820000000, 0.965834980000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.920622940000000, 0.267693910000000, 0.155178290000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.079377060000000, 0.732306090000000, 0.844821710000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.072305330000000, 0.812259890000000, 0.079615480000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.477754040000000, 0.134360750000000, 0.751175770000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.694827540000000, 0.469464140000000, 0.696596700000000 ] mass: 15.999400 - symbol: O # 49 coordinates: [ 0.305172460000000, 0.530535860000000, 0.303403300000000 ] mass: 15.999400 - symbol: O # 50 coordinates: [ 0.655939300000000, 0.424122360000000, 0.935602770000000 ] mass: 15.999400 - symbol: O # 51 coordinates: [ 0.079377060000000, 0.767693910000000, 0.344821710000000 ] mass: 15.999400 - symbol: O # 52 coordinates: [ 0.096525910000000, 0.449159840000000, 0.339317300000000 ] mass: 15.999400 - symbol: O # 53 coordinates: [ 0.344060700000000, 0.575877640000000, 0.064397230000000 ] mass: 15.999400 - symbol: O # 54 coordinates: [ 0.522245960000000, 0.634360750000000, 0.748824230000000 ] mass: 15.999400 - symbol: O # 55 coordinates: [ 0.448326910000000, 0.389386310000000, 0.649244890000000 ] mass: 15.999400 - symbol: O # 56 coordinates: [ 0.873593450000000, 0.858143490000000, 0.394694820000000 ] mass: 15.999400 - symbol: O # 57 coordinates: [ 0.126406550000000, 0.358143490000000, 0.105305180000000 ] mass: 15.999400 - symbol: O # 58 coordinates: [ 0.448326910000000, 0.110613690000000, 0.149244890000000 ] mass: 15.999400 - symbol: O # 59 coordinates: [ 0.344060700000000, 0.924122360000000, 0.564397230000000 ] mass: 15.999400 - symbol: O # 60 coordinates: [ 0.920622940000000, 0.232306090000000, 0.655178290000000 ] mass: 15.999400 - symbol: O # 61 coordinates: [ 0.178803030000000, 0.504490630000000, 0.781041110000000 ] mass: 15.999400 - symbol: O # 62 coordinates: [ 0.873593450000000, 0.641856510000000, 0.894694820000000 ] mass: 15.999400 - symbol: O # 63 coordinates: [ 0.655939300000000, 0.075877640000000, 0.435602770000000 ] mass: 15.999400 - symbol: O # 64 coordinates: [ 0.927694670000000, 0.312259890000000, 0.420384520000000 ] mass: 15.999400 - symbol: O # 65 coordinates: [ 0.096525910000000, 0.050840160000000, 0.839317300000000 ] mass: 15.999400 - symbol: O # 66 coordinates: [ 0.178803030000000, 0.995509370000000, 0.281041110000000 ] mass: 15.999400 - symbol: O # 67 coordinates: [ 0.821196970000000, 0.004490630000000, 0.718958890000000 ] mass: 15.999400 - symbol: O # 68 coordinates: [ 0.903474090000000, 0.550840160000000, 0.660682700000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.101941969416998, 0.000000000000000, 0.051568946361427 ] # a* - [ 0.000000000000000, 0.114477130907565, 0.000000000000000 ] # b* - [ 0.000254152797221, 0.000000000000000, 0.123005002347401 ] # c*unit_cell: lattice: - [ 9.819766270000001, 0.000000000000000, -0.020289590000000 ] # a - [ 0.000000000000000, 8.735369170000000, 0.000000000000000 ] # b - [ -4.116865090000000, 0.000000000000000, 8.138256930000001 ] # c points: - symbol: Ca # 1 coordinates: [ 0.280231000000000, 0.883175110000000, 0.035790310000000 ] mass: 40.078000 reduced_to: 1 - symbol: Ca # 2 coordinates: [ 0.280231000000000, 0.616824890000000, 0.535790310000000 ] mass: 40.078000 reduced_to: 2 - symbol: Ca # 3 coordinates: [ 0.719769000000000, 0.116824890000000, 0.964209690000000 ] mass: 40.078000 reduced_to: 3 - symbol: Ca # 4 coordinates: [ 0.719769000000000, 0.383175110000000, 0.464209690000000 ] mass: 40.078000 reduced_to: 4 - symbol: B # 5 coordinates: [ 0.582056700000000, 0.736503590000000, 0.877325950000000 ] mass: 10.811000 reduced_to: 5 - symbol: B # 6 coordinates: [ 0.417943300000000, 0.236503590000000, 0.622674050000000 ] mass: 10.811000 reduced_to: 6 - symbol: B # 7 coordinates: [ 0.002619140000000, 0.769663680000000, 0.438452690000000 ] mass: 10.811000 reduced_to: 7 - symbol: B # 8 coordinates: [ 0.418060950000000, 0.976140350000000, 0.736478290000000 ] mass: 10.811000 reduced_to: 8 - symbol: B # 9 coordinates: [ 0.056709760000000, 0.880267770000000, 0.217496240000000 ] mass: 10.811000 reduced_to: 9 - symbol: B # 10 coordinates: [ 0.824053260000000, 0.557563770000000, 0.751160290000000 ] mass: 10.811000 reduced_to: 10 - symbol: B # 11 coordinates: [ 0.281415930000000, 0.031200610000000, 0.438026380000000 ] mass: 10.811000 reduced_to: 11 - symbol: B # 12 coordinates: [ 0.997380860000000, 0.269663680000000, 0.061547310000000 ] mass: 10.811000 reduced_to: 12 - symbol: B # 13 coordinates: [ 0.581939050000000, 0.476140350000000, 0.763521710000000 ] mass: 10.811000 reduced_to: 13 - symbol: B # 14 coordinates: [ 0.002619140000000, 0.730336320000000, 0.938452690000000 ] mass: 10.811000 reduced_to: 14 - symbol: B # 15 coordinates: [ 0.582056700000000, 0.763496410000000, 0.377325950000000 ] mass: 10.811000 reduced_to: 15 - symbol: B # 16 coordinates: [ 0.581939050000000, 0.023859650000000, 0.263521710000000 ] mass: 10.811000 reduced_to: 16 - symbol: B # 17 coordinates: [ 0.175946740000000, 0.057563770000000, 0.748839710000000 ] mass: 10.811000 reduced_to: 17 - symbol: B # 18 coordinates: [ 0.417943300000000, 0.263496410000000, 0.122674050000000 ] mass: 10.811000 reduced_to: 18 - symbol: B # 19 coordinates: [ 0.943290240000000, 0.119732230000000, 0.782503760000000 ] mass: 10.811000 reduced_to: 19 - symbol: B # 20 coordinates: [ 0.175946740000000, 0.442436230000000, 0.248839710000000 ] mass: 10.811000 reduced_to: 20 - symbol: B # 21 coordinates: [ 0.718584070000000, 0.531200610000000, 0.061973620000000 ] mass: 10.811000 reduced_to: 21 - symbol: B # 22 coordinates: [ 0.943290240000000, 0.380267770000000, 0.282503760000000 ] mass: 10.811000 reduced_to: 22 - symbol: B # 23 coordinates: [ 0.418060950000000, 0.523859650000000, 0.236478290000000 ] mass: 10.811000 reduced_to: 23 - symbol: B # 24 coordinates: [ 0.056709760000000, 0.619732230000000, 0.717496240000000 ] mass: 10.811000 reduced_to: 24 - symbol: B # 25 coordinates: [ 0.718584070000000, 0.968799390000000, 0.561973620000000 ] mass: 10.811000 reduced_to: 25 - symbol: B # 26 coordinates: [ 0.997380860000000, 0.230336320000000, 0.561547310000000 ] mass: 10.811000 reduced_to: 26 - symbol: B # 27 coordinates: [ 0.281415930000000, 0.468799390000000, 0.938026380000000 ] mass: 10.811000 reduced_to: 27 - symbol: B # 28 coordinates: [ 0.824053260000000, 0.942436230000000, 0.251160290000000 ] mass: 10.811000 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.694827540000000, 0.030535860000000, 0.196596700000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.072305330000000, 0.687740110000000, 0.579615480000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.305172460000000, 0.969464140000000, 0.803403300000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.477754040000000, 0.365639250000000, 0.251175770000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.551673090000000, 0.610613690000000, 0.350755110000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.126406550000000, 0.141856510000000, 0.605305180000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.670804800000000, 0.683755180000000, 0.034165020000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.522245960000000, 0.865639250000000, 0.248824230000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.670804800000000, 0.816244820000000, 0.534165020000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.821196970000000, 0.495509370000000, 0.218958890000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.551673090000000, 0.889386310000000, 0.850755110000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.329195200000000, 0.183755180000000, 0.465834980000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.927694670000000, 0.187740110000000, 0.920384520000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.903474090000000, 0.949159840000000, 0.160682700000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.329195200000000, 0.316244820000000, 0.965834980000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.920622940000000, 0.267693910000000, 0.155178290000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.079377060000000, 0.732306090000000, 0.844821710000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.072305330000000, 0.812259890000000, 0.079615480000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.477754040000000, 0.134360750000000, 0.751175770000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.694827540000000, 0.469464140000000, 0.696596700000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.305172460000000, 0.530535860000000, 0.303403300000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.655939300000000, 0.424122360000000, 0.935602770000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.079377060000000, 0.767693910000000, 0.344821710000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.096525910000000, 0.449159840000000, 0.339317300000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.344060700000000, 0.575877640000000, 0.064397230000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.522245960000000, 0.634360750000000, 0.748824230000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.448326910000000, 0.389386310000000, 0.649244890000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.873593450000000, 0.858143490000000, 0.394694820000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.126406550000000, 0.358143490000000, 0.105305180000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.448326910000000, 0.110613690000000, 0.149244890000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.344060700000000, 0.924122360000000, 0.564397230000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.920622940000000, 0.232306090000000, 0.655178290000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.178803030000000, 0.504490630000000, 0.781041110000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.873593450000000, 0.641856510000000, 0.894694820000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.655939300000000, 0.075877640000000, 0.435602770000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.927694670000000, 0.312259890000000, 0.420384520000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.096525910000000, 0.050840160000000, 0.839317300000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.178803030000000, 0.995509370000000, 0.281041110000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.821196970000000, 0.004490630000000, 0.718958890000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.903474090000000, 0.550840160000000, 0.660682700000000 ] mass: 15.999400 reduced_to: 68supercell: lattice: - [ 9.819766270000001, 0.000000000000000, -0.020289590000000 ] # a - [ 0.000000000000000, 17.470738340000000, 0.000000000000000 ] # b - [ -4.116865090000000, 0.000000000000000, 8.138256930000001 ] # c points: - symbol: Ca # 1 coordinates: [ 0.280231000000000, 0.441587555000000, 0.035790310000000 ] mass: 40.078000 reduced_to: 1 - symbol: Ca # 2 coordinates: [ 0.280231000000000, 0.941587555000000, 0.035790310000000 ] mass: 40.078000 reduced_to: 1 - symbol: Ca # 3 coordinates: [ 0.280231000000000, 0.308412445000000, 0.535790310000000 ] mass: 40.078000 reduced_to: 3 - symbol: Ca # 4 coordinates: [ 0.280231000000000, 0.808412445000000, 0.535790310000000 ] mass: 40.078000 reduced_to: 3 - symbol: Ca # 5 coordinates: [ 0.719769000000000, 0.058412445000000, 0.964209690000000 ] mass: 40.078000 reduced_to: 5 - symbol: Ca # 6 coordinates: [ 0.719769000000000, 0.558412445000000, 0.964209690000000 ] mass: 40.078000 reduced_to: 5 - symbol: Ca # 7 coordinates: [ 0.719769000000000, 0.191587555000000, 0.464209690000000 ] mass: 40.078000 reduced_to: 7 - symbol: Ca # 8 coordinates: [ 0.719769000000000, 0.691587555000000, 0.464209690000000 ] mass: 40.078000 reduced_to: 7 - symbol: B # 9 coordinates: [ 0.582056700000000, 0.368251795000000, 0.877325950000000 ] mass: 10.811000 reduced_to: 9 - symbol: B # 10 coordinates: [ 0.582056700000000, 0.868251795000000, 0.877325950000000 ] mass: 10.811000 reduced_to: 9 - symbol: B # 11 coordinates: [ 0.417943300000000, 0.118251795000000, 0.622674050000000 ] mass: 10.811000 reduced_to: 11 - symbol: B # 12 coordinates: [ 0.417943300000000, 0.618251795000000, 0.622674050000000 ] mass: 10.811000 reduced_to: 11 - symbol: B # 13 coordinates: [ 0.002619140000000, 0.384831840000000, 0.438452690000000 ] mass: 10.811000 reduced_to: 13 - symbol: B # 14 coordinates: [ 0.002619140000000, 0.884831840000000, 0.438452690000000 ] mass: 10.811000 reduced_to: 13 - symbol: B # 15 coordinates: [ 0.418060950000000, 0.488070175000000, 0.736478290000000 ] mass: 10.811000 reduced_to: 15 - symbol: B # 16 coordinates: [ 0.418060950000000, 0.988070175000000, 0.736478290000000 ] mass: 10.811000 reduced_to: 15 - symbol: B # 17 coordinates: [ 0.056709760000000, 0.440133885000000, 0.217496240000000 ] mass: 10.811000 reduced_to: 17 - symbol: B # 18 coordinates: [ 0.056709760000000, 0.940133885000000, 0.217496240000000 ] mass: 10.811000 reduced_to: 17 - symbol: B # 19 coordinates: [ 0.824053260000000, 0.278781885000000, 0.751160290000000 ] mass: 10.811000 reduced_to: 19 - symbol: B # 20 coordinates: [ 0.824053260000000, 0.778781885000000, 0.751160290000000 ] mass: 10.811000 reduced_to: 19 - symbol: B # 21 coordinates: [ 0.281415930000000, 0.015600305000000, 0.438026380000000 ] mass: 10.811000 reduced_to: 21 - symbol: B # 22 coordinates: [ 0.281415930000000, 0.515600305000000, 0.438026380000000 ] mass: 10.811000 reduced_to: 21 - symbol: B # 23 coordinates: [ 0.997380860000000, 0.134831840000000, 0.061547310000000 ] mass: 10.811000 reduced_to: 23 - symbol: B # 24 coordinates: [ 0.997380860000000, 0.634831840000000, 0.061547310000000 ] mass: 10.811000 reduced_to: 23 - symbol: B # 25 coordinates: [ 0.581939050000000, 0.238070175000000, 0.763521710000000 ] mass: 10.811000 reduced_to: 25 - symbol: B # 26 coordinates: [ 0.581939050000000, 0.738070175000000, 0.763521710000000 ] mass: 10.811000 reduced_to: 25 - symbol: B # 27 coordinates: [ 0.002619140000000, 0.365168160000000, 0.938452690000000 ] mass: 10.811000 reduced_to: 27 - symbol: B # 28 coordinates: [ 0.002619140000000, 0.865168160000000, 0.938452690000000 ] mass: 10.811000 reduced_to: 27 - symbol: B # 29 coordinates: [ 0.582056700000000, 0.381748205000000, 0.377325950000000 ] mass: 10.811000 reduced_to: 29 - symbol: B # 30 coordinates: [ 0.582056700000000, 0.881748205000000, 0.377325950000000 ] mass: 10.811000 reduced_to: 29 - symbol: B # 31 coordinates: [ 0.581939050000000, 0.011929825000000, 0.263521710000000 ] mass: 10.811000 reduced_to: 31 - symbol: B # 32 coordinates: [ 0.581939050000000, 0.511929825000000, 0.263521710000000 ] mass: 10.811000 reduced_to: 31 - symbol: B # 33 coordinates: [ 0.175946740000000, 0.028781885000000, 0.748839710000000 ] mass: 10.811000 reduced_to: 33 - symbol: B # 34 coordinates: [ 0.175946740000000, 0.528781885000000, 0.748839710000000 ] mass: 10.811000 reduced_to: 33 - symbol: B # 35 coordinates: [ 0.417943300000000, 0.131748205000000, 0.122674050000000 ] mass: 10.811000 reduced_to: 35 - symbol: B # 36 coordinates: [ 0.417943300000000, 0.631748205000000, 0.122674050000000 ] mass: 10.811000 reduced_to: 35 - symbol: B # 37 coordinates: [ 0.943290240000000, 0.059866115000000, 0.782503760000000 ] mass: 10.811000 reduced_to: 37 - symbol: B # 38 coordinates: [ 0.943290240000000, 0.559866115000000, 0.782503760000000 ] mass: 10.811000 reduced_to: 37 - symbol: B # 39 coordinates: [ 0.175946740000000, 0.221218115000000, 0.248839710000000 ] mass: 10.811000 reduced_to: 39 - symbol: B # 40 coordinates: [ 0.175946740000000, 0.721218115000000, 0.248839710000000 ] mass: 10.811000 reduced_to: 39 - symbol: B # 41 coordinates: [ 0.718584070000000, 0.265600305000000, 0.061973620000000 ] mass: 10.811000 reduced_to: 41 - symbol: B # 42 coordinates: [ 0.718584070000000, 0.765600305000000, 0.061973620000000 ] mass: 10.811000 reduced_to: 41 - symbol: B # 43 coordinates: [ 0.943290240000000, 0.190133885000000, 0.282503760000000 ] mass: 10.811000 reduced_to: 43 - symbol: B # 44 coordinates: [ 0.943290240000000, 0.690133885000000, 0.282503760000000 ] mass: 10.811000 reduced_to: 43 - symbol: B # 45 coordinates: [ 0.418060950000000, 0.261929825000000, 0.236478290000000 ] mass: 10.811000 reduced_to: 45 - symbol: B # 46 coordinates: [ 0.418060950000000, 0.761929825000000, 0.236478290000000 ] mass: 10.811000 reduced_to: 45 - symbol: B # 47 coordinates: [ 0.056709760000000, 0.309866115000000, 0.717496240000000 ] mass: 10.811000 reduced_to: 47 - symbol: B # 48 coordinates: [ 0.056709760000000, 0.809866115000000, 0.717496240000000 ] mass: 10.811000 reduced_to: 47 - symbol: B # 49 coordinates: [ 0.718584070000000, 0.484399695000000, 0.561973620000000 ] mass: 10.811000 reduced_to: 49 - symbol: B # 50 coordinates: [ 0.718584070000000, 0.984399695000000, 0.561973620000000 ] mass: 10.811000 reduced_to: 49 - symbol: B # 51 coordinates: [ 0.997380860000000, 0.115168160000000, 0.561547310000000 ] mass: 10.811000 reduced_to: 51 - symbol: B # 52 coordinates: [ 0.997380860000000, 0.615168160000000, 0.561547310000000 ] mass: 10.811000 reduced_to: 51 - symbol: B # 53 coordinates: [ 0.281415930000000, 0.234399695000000, 0.938026380000000 ] mass: 10.811000 reduced_to: 53 - symbol: B # 54 coordinates: [ 0.281415930000000, 0.734399695000000, 0.938026380000000 ] mass: 10.811000 reduced_to: 53 - symbol: B # 55 coordinates: [ 0.824053260000000, 0.471218115000000, 0.251160290000000 ] mass: 10.811000 reduced_to: 55 - symbol: B # 56 coordinates: [ 0.824053260000000, 0.971218115000000, 0.251160290000000 ] mass: 10.811000 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.694827540000000, 0.015267930000000, 0.196596700000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.694827540000000, 0.515267930000000, 0.196596700000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.072305330000000, 0.343870055000000, 0.579615480000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.072305330000000, 0.843870055000000, 0.579615480000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 61 coordinates: [ 0.305172460000000, 0.484732070000000, 0.803403300000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.305172460000000, 0.984732070000000, 0.803403300000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.477754040000000, 0.182819625000000, 0.251175770000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.477754040000000, 0.682819625000000, 0.251175770000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 65 coordinates: [ 0.551673090000000, 0.305306845000000, 0.350755110000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.551673090000000, 0.805306845000000, 0.350755110000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.126406550000000, 0.070928255000000, 0.605305180000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.126406550000000, 0.570928255000000, 0.605305180000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.670804800000000, 0.341877590000000, 0.034165020000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.670804800000000, 0.841877590000000, 0.034165020000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.522245960000000, 0.432819625000000, 0.248824230000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.522245960000000, 0.932819625000000, 0.248824230000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 73 coordinates: [ 0.670804800000000, 0.408122410000000, 0.534165020000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.670804800000000, 0.908122410000000, 0.534165020000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.821196970000000, 0.247754685000000, 0.218958890000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.821196970000000, 0.747754685000000, 0.218958890000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 77 coordinates: [ 0.551673090000000, 0.444693155000000, 0.850755110000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.551673090000000, 0.944693155000000, 0.850755110000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.329195200000000, 0.091877590000000, 0.465834980000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.329195200000000, 0.591877590000000, 0.465834980000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 81 coordinates: [ 0.927694670000000, 0.093870055000000, 0.920384520000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.927694670000000, 0.593870055000000, 0.920384520000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.903474090000000, 0.474579920000000, 0.160682700000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.903474090000000, 0.974579920000000, 0.160682700000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 85 coordinates: [ 0.329195200000000, 0.158122410000000, 0.965834980000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.329195200000000, 0.658122410000000, 0.965834980000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.920622940000000, 0.133846955000000, 0.155178290000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.920622940000000, 0.633846955000000, 0.155178290000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 89 coordinates: [ 0.079377060000000, 0.366153045000000, 0.844821710000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.079377060000000, 0.866153045000000, 0.844821710000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.072305330000000, 0.406129945000000, 0.079615480000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.072305330000000, 0.906129945000000, 0.079615480000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 93 coordinates: [ 0.477754040000000, 0.067180375000000, 0.751175770000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.477754040000000, 0.567180375000000, 0.751175770000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.694827540000000, 0.234732070000000, 0.696596700000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.694827540000000, 0.734732070000000, 0.696596700000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 97 coordinates: [ 0.305172460000000, 0.265267930000000, 0.303403300000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.305172460000000, 0.765267930000000, 0.303403300000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.655939300000000, 0.212061180000000, 0.935602770000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.655939300000000, 0.712061180000000, 0.935602770000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 101 coordinates: [ 0.079377060000000, 0.383846955000000, 0.344821710000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.079377060000000, 0.883846955000000, 0.344821710000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 103 coordinates: [ 0.096525910000000, 0.224579920000000, 0.339317300000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.096525910000000, 0.724579920000000, 0.339317300000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 105 coordinates: [ 0.344060700000000, 0.287938820000000, 0.064397230000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.344060700000000, 0.787938820000000, 0.064397230000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 107 coordinates: [ 0.522245960000000, 0.317180375000000, 0.748824230000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 108 coordinates: [ 0.522245960000000, 0.817180375000000, 0.748824230000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 109 coordinates: [ 0.448326910000000, 0.194693155000000, 0.649244890000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.448326910000000, 0.694693155000000, 0.649244890000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 111 coordinates: [ 0.873593450000000, 0.429071745000000, 0.394694820000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 112 coordinates: [ 0.873593450000000, 0.929071745000000, 0.394694820000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 113 coordinates: [ 0.126406550000000, 0.179071745000000, 0.105305180000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.126406550000000, 0.679071745000000, 0.105305180000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 115 coordinates: [ 0.448326910000000, 0.055306845000000, 0.149244890000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 116 coordinates: [ 0.448326910000000, 0.555306845000000, 0.149244890000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 117 coordinates: [ 0.344060700000000, 0.462061180000000, 0.564397230000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 118 coordinates: [ 0.344060700000000, 0.962061180000000, 0.564397230000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 119 coordinates: [ 0.920622940000000, 0.116153045000000, 0.655178290000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 120 coordinates: [ 0.920622940000000, 0.616153045000000, 0.655178290000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 121 coordinates: [ 0.178803030000000, 0.252245315000000, 0.781041110000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 122 coordinates: [ 0.178803030000000, 0.752245315000000, 0.781041110000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 123 coordinates: [ 0.873593450000000, 0.320928255000000, 0.894694820000000 ] mass: 15.999400 reduced_to: 123 - symbol: O # 124 coordinates: [ 0.873593450000000, 0.820928255000000, 0.894694820000000 ] mass: 15.999400 reduced_to: 123 - symbol: O # 125 coordinates: [ 0.655939300000000, 0.037938820000000, 0.435602770000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 126 coordinates: [ 0.655939300000000, 0.537938820000000, 0.435602770000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 127 coordinates: [ 0.927694670000000, 0.156129945000000, 0.420384520000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 128 coordinates: [ 0.927694670000000, 0.656129945000000, 0.420384520000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 129 coordinates: [ 0.096525910000000, 0.025420080000000, 0.839317300000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 130 coordinates: [ 0.096525910000000, 0.525420080000000, 0.839317300000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 131 coordinates: [ 0.178803030000000, 0.497754685000000, 0.281041110000000 ] mass: 15.999400 reduced_to: 131 - symbol: O # 132 coordinates: [ 0.178803030000000, 0.997754685000000, 0.281041110000000 ] mass: 15.999400 reduced_to: 131 - symbol: O # 133 coordinates: [ 0.821196970000000, 0.002245315000000, 0.718958890000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 134 coordinates: [ 0.821196970000000, 0.502245315000000, 0.718958890000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 135 coordinates: [ 0.903474090000000, 0.275420080000000, 0.660682700000000 ] mass: 15.999400 reduced_to: 135 - symbol: O # 136 coordinates: [ 0.903474090000000, 0.775420080000000, 0.660682700000000 ] mass: 15.999400 reduced_to: 135displacements:- atom: 1 displacement: [ 0.0099999786541794, 0.0000000000000000, -0.0000206619446251 ] forces: - [ -0.0883182900000000, -0.0242950400000000, -0.0290709600000000 ] - [ 0.0001039400000000, 0.0000779000000000, -0.0000592200000000 ] - [ -0.0015643300000000, 0.0006186600000000, -0.0025348700000000 ] - [ 0.0000994800000000, 0.0004914500000000, -0.0001121300000000 ] - [ 0.0000721100000000, 0.0005650500000000, -0.0000428800000000 ] - [ 0.0047186900000000, 0.0010210200000000, 0.0003983000000000 ] - [ 0.0008228700000000, -0.0006317700000000, 0.0015550100000000 ] - [ 0.0008242600000000, 0.0003866500000000, 0.0013095900000000 ] - [ 0.0045336700000000, -0.0047259300000000, -0.0018551300000000 ] - [ 0.0001858400000000, 0.0008152000000000, -0.0001704600000000 ] - [ -0.0002239800000000, 0.0006696300000000, 0.0000202900000000 ] - [ -0.0006634600000000, 0.0011666100000000, -0.0030952100000000 ] - [ 0.0046943700000000, -0.0018201100000000, -0.0006016200000000 ] - [ 0.0002811300000000, -0.0000922900000000, -0.0004116300000000 ] - [ 0.0058189300000000, 0.0026427800000000, -0.0085982100000000 ] - [ -0.0000886400000000, 0.0009137400000000, -0.0000359600000000 ] - [ 0.0165314300000000, -0.0042366200000000, -0.0142121600000000 ] - [ -0.0001070900000000, 0.0007132900000000, -0.0000621300000000 ] - [ 0.0019591200000000, 0.0030669400000000, 0.0046208100000000 ] - [ -0.0003068000000000, -0.0001330500000000, 0.0001228000000000 ] - [ -0.0001360900000000, 0.0004244000000000, -0.0001076300000000 ] - [ -0.0045002300000000, -0.0022517600000000, -0.0113869700000000 ] - [ 0.0003057500000000, 0.0005838600000000, 0.0003291100000000 ] - [ 0.0004122900000000, -0.0032874700000000, -0.0012743300000000 ] - [ 0.0020291200000000, -0.0008340500000000, -0.0007124300000000 ] - [ 0.0002426400000000, 0.0009357500000000, -0.0000923700000000 ] - [ 0.0189751600000000, 0.0180871800000000, 0.0154768700000000 ] - [ 0.0001499800000000, 0.0003414600000000, -0.0001310600000000 ] - [ 0.0017063100000000, -0.0101026200000000, 0.0123787300000000 ] - [ 0.0003050300000000, 0.0002632200000000, 0.0000693200000000 ] - [ 0.0002051200000000, -0.0004661700000000, 0.0000770900000000 ] - [ 0.0118913700000000, 0.0092508400000000, 0.0112098900000000 ] - [ 0.0002157500000000, 0.0001604000000000, -0.0001490700000000 ] - [ -0.0213581000000000, 0.0058738400000000, -0.0004338400000000 ] - [ -0.0002977200000000, -0.0008453300000000, -0.0001665500000000 ] - [ -0.0030308500000000, 0.0097222300000000, -0.0021244500000000 ] - [ 0.0000215300000000, 0.0001748700000000, 0.0001959200000000 ] - [ 0.0052832300000000, -0.0039772300000000, 0.0051580400000000 ] - [ 0.0000468800000000, 0.0014635600000000, -0.0005000100000000 ] - [ -0.0003200100000000, -0.0008710300000000, -0.0007784000000000 ] - [ 0.0023484300000000, -0.0027430600000000, 0.0007649900000000 ] - [ 0.0003978000000000, 0.0003395000000000, 0.0003407800000000 ] - [ 0.0011870100000000, 0.0005818300000000, 0.0005297000000000 ] - [ 0.0007629700000000, -0.0003180300000000, -0.0004268100000000 ] - [ -0.0043175700000000, -0.0036627600000000, 0.0005988300000000 ] - [ -0.0012109000000000, 0.0013369500000000, 0.0003883800000000 ] - [ -0.0052022500000000, 0.0077631500000000, 0.0075997000000000 ] - [ -0.0004493600000000, -0.0000211300000000, -0.0003724300000000 ] - [ 0.0025400400000000, 0.0012697600000000, 0.0064382200000000 ] - [ 0.0002490200000000, 0.0002784400000000, 0.0003135200000000 ] - [ -0.0004932500000000, 0.0007380000000000, 0.0002393100000000 ] - [ -0.0008941200000000, -0.0003929600000000, 0.0015626900000000 ] - [ -0.0019989900000000, -0.0011189400000000, -0.0048538400000000 ] - [ -0.0010471600000000, 0.0019141700000000, -0.0009186600000000 ] - [ 0.0082806700000000, -0.0024298600000000, 0.0004331800000000 ] - [ -0.0003143000000000, 0.0002688800000000, -0.0001677800000000 ] - [ -0.0004224600000000, -0.0004498000000000, 0.0002456800000000 ] - [ -0.0080930100000000, 0.0002420400000000, -0.0009469600000000 ] - [ 0.0012560500000000, -0.0006018100000000, -0.0013286000000000 ] - [ 0.0000911500000000, -0.0005465300000000, 0.0002760400000000 ] - [ 0.0134345100000000, -0.0001705100000000, -0.0036976800000000 ] - [ 0.0004360300000000, 0.0001613500000000, -0.0001067000000000 ] - [ 0.0000823100000000, 0.0016077400000000, -0.0002294900000000 ] - [ 0.0003796900000000, -0.0040111300000000, -0.0017726900000000 ] - [ 0.0013556700000000, 0.0052720100000000, -0.0010426700000000 ] - [ 0.0002358500000000, -0.0014945500000000, -0.0004551600000000 ] - [ 0.0002452200000000, 0.0000299900000000, 0.0005975100000000 ] - [ 0.0032763300000000, -0.0008685100000000, 0.0005064100000000 ] - [ -0.0027540000000000, 0.0028439100000000, -0.0003372400000000 ] - [ 0.0002203100000000, -0.0000236500000000, 0.0000548000000000 ] - [ 0.0149773900000000, 0.0010394600000000, 0.0120314300000000 ] - [ 0.0000950300000000, 0.0002389900000000, 0.0002656400000000 ] - [ -0.0019010400000000, -0.0008566500000000, -0.0062782500000000 ] - [ 0.0001340800000000, -0.0005370900000000, -0.0002105500000000 ] - [ -0.0005988000000000, 0.0012941700000000, -0.0010906200000000 ] - [ 0.0000873000000000, 0.0008400900000000, -0.0001731000000000 ] - [ -0.0034429700000000, 0.0014768400000000, 0.0022465000000000 ] - [ 0.0003541800000000, 0.0002154300000000, 0.0000429100000000 ] - [ -0.0001940400000000, -0.0000631200000000, 0.0000051100000000 ] - [ 0.0016792700000000, 0.0026391000000000, 0.0031107500000000 ] - [ -0.0001714100000000, -0.0007752600000000, -0.0002572200000000 ] - [ -0.0017741200000000, 0.0015934400000000, 0.0000358300000000 ] - [ -0.0084346400000000, 0.0027020300000000, 0.0015170700000000 ] - [ 0.0001541600000000, -0.0002132400000000, -0.0000720900000000 ] - [ -0.0002590300000000, 0.0002426300000000, 0.0008130000000000 ] - [ 0.0014266200000000, -0.0033794400000000, 0.0023968700000000 ] - [ -0.0005349600000000, 0.0001076200000000, -0.0000559100000000 ] - [ -0.0011587500000000, 0.0010497800000000, 0.0006610500000000 ] - [ 0.0098997500000000, -0.0011466700000000, -0.0020074700000000 ] - [ 0.0003019100000000, -0.0004831400000000, -0.0000581000000000 ] - [ 0.0204471900000000, 0.0057905600000000, -0.0010038400000000 ] - [ 0.0001424000000000, 0.0001980900000000, -0.0000725500000000 ] - [ -0.0001823700000000, -0.0007591200000000, -0.0001435800000000 ] - [ -0.0014165100000000, -0.0026703000000000, 0.0019936000000000 ] - [ -0.0029972200000000, -0.0008670000000000, -0.0010174800000000 ] - [ -0.0004795200000000, 0.0003253200000000, 0.0000482900000000 ] - [ 0.0026724600000000, -0.0012498200000000, -0.0000131300000000 ] - [ 0.0014405400000000, -0.0003138200000000, -0.0001971200000000 ] - [ -0.0007106100000000, 0.0010812900000000, 0.0002301000000000 ] - [ -0.0003738800000000, -0.0000596500000000, -0.0002585100000000 ] - [ -0.0037805900000000, -0.0007407700000000, 0.0048890400000000 ] - [ 0.0001157000000000, 0.0001668900000000, 0.0000848600000000 ] - [ -0.0003936700000000, -0.0006189300000000, 0.0001667100000000 ] - [ -0.0001070300000000, 0.0002487400000000, 0.0003694800000000 ] - [ 0.0049661300000000, 0.0028955400000000, 0.0018864700000000 ] - [ 0.0003382200000000, -0.0011665000000000, 0.0001861400000000 ] - [ -0.0003873400000000, 0.0019052300000000, 0.0015550900000000 ] - [ 0.0001361300000000, -0.0008002900000000, 0.0002083000000000 ] - [ -0.0004035000000000, 0.0006477100000000, 0.0002983400000000 ] - [ -0.0002946600000000, 0.0002872300000000, 0.0005153100000000 ] - [ -0.0036149500000000, 0.0013781800000000, -0.0016217600000000 ] - [ -0.0000543800000000, -0.0004605000000000, -0.0003457900000000 ] - [ 0.0001211100000000, -0.0009905500000000, 0.0004492100000000 ] - [ 0.0007556000000000, 0.0009438100000000, 0.0012264200000000 ] - [ -0.0003435200000000, -0.0004033500000000, 0.0000822200000000 ] - [ 0.0031846700000000, -0.0054663800000000, 0.0007457700000000 ] - [ 0.0004361500000000, -0.0006987400000000, 0.0073623700000000 ] - [ 0.0000502100000000, -0.0000089600000000, 0.0002756400000000 ] - [ -0.0001311200000000, -0.0006879300000000, -0.0000496500000000 ] - [ -0.0005002500000000, 0.0011403300000000, -0.0023581000000000 ] - [ 0.0028315000000000, -0.0035291200000000, 0.0017574300000000 ] - [ -0.0000510200000000, -0.0012773400000000, 0.0009924000000000 ] - [ -0.0061573800000000, -0.0054707200000000, -0.0061519000000000 ] - [ -0.0000991100000000, 0.0002863200000000, -0.0005316900000000 ] - [ -0.0000968600000000, -0.0003487500000000, -0.0003248100000000 ] - [ -0.0018871500000000, -0.0015155100000000, -0.0059092800000000 ] - [ -0.0002675700000000, 0.0001339900000000, -0.0001364300000000 ] - [ -0.0003358600000000, 0.0005217000000000, -0.0003643800000000 ] - [ -0.0000102100000000, -0.0001415100000000, 0.0002153900000000 ] - [ 0.0116576300000000, -0.0028215500000000, 0.0003056600000000 ] - [ -0.0026349800000000, 0.0056211500000000, 0.0116579300000000 ] - [ -0.0005611500000000, 0.0004200900000000, 0.0000559500000000 ] - [ 0.0004287500000000, -0.0009328000000000, -0.0003117100000000 ] - [ -0.0020698100000000, -0.0011458500000000, -0.0047392200000000 ] - [ -0.0013405400000000, -0.0025460900000000, -0.0031579100000000 ] - [ 0.0002163700000000, 0.0000601900000000, -0.0002072200000000 ]- atom: 1 displacement: [ -0.0099999786541794, 0.0000000000000000, 0.0000206619446251 ] forces: - [ 0.0901191700000000, 0.0241636600000000, 0.0287688600000000 ] - [ 0.0003702200000000, -0.0007329000000000, 0.0001640000000000 ] - [ 0.0020386600000000, 0.0000310600000000, 0.0026409800000000 ] - [ 0.0003729500000000, 0.0001616100000000, 0.0002167800000000 ] - [ -0.0005462000000000, 0.0000837100000000, -0.0000609800000000 ] - [ -0.0051890000000000, -0.0003395900000000, -0.0005115000000000 ] - [ -0.0013002500000000, -0.0000256100000000, -0.0016652100000000 ] - [ -0.0012980800000000, -0.0010411500000000, -0.0014155300000000 ] - [ -0.0041619900000000, 0.0055718000000000, 0.0015942400000000 ] - [ 0.0001662500000000, 0.0000668200000000, -0.0000638800000000 ] - [ -0.0001297500000000, 0.0002079700000000, 0.0002112900000000 ] - [ 0.0003090900000000, -0.0002797900000000, 0.0033312300000000 ] - [ -0.0041372300000000, 0.0013077300000000, 0.0001011800000000 ] - [ 0.0002865500000000, -0.0004157800000000, -0.0001113500000000 ] - [ -0.0059814300000000, -0.0012414200000000, 0.0086386500000000 ] - [ 0.0000274500000000, 0.0004351100000000, 0.0001287700000000 ] - [ -0.0168541800000000, 0.0051324200000000, 0.0141224700000000 ] - [ -0.0000894700000000, 0.0001715900000000, -0.0001520400000000 ] - [ -0.0027500300000000, -0.0032975000000000, -0.0048710100000000 ] - [ -0.0004916700000000, -0.0000821600000000, -0.0003442600000000 ] - [ -0.0001176700000000, -0.0002103300000000, -0.0000842300000000 ] - [ 0.0042717200000000, 0.0024771900000000, 0.0112311400000000 ] - [ -0.0008687300000000, -0.0010922900000000, 0.0001954200000000 ] - [ -0.0009731400000000, 0.0027992400000000, 0.0018050900000000 ] - [ -0.0019721000000000, 0.0021709600000000, 0.0006135400000000 ] - [ -0.0001826700000000, 0.0004163400000000, -0.0000016400000000 ] - [ -0.0185542700000000, -0.0178161900000000, -0.0162035300000000 ] - [ 0.0004195800000000, 0.0001645000000000, -0.0003953300000000 ] - [ -0.0013593700000000, 0.0092262000000000, -0.0125977500000000 ] - [ 0.0000469600000000, -0.0011513400000000, -0.0003035300000000 ] - [ -0.0001485600000000, -0.0008843400000000, -0.0001715700000000 ] - [ -0.0118615300000000, -0.0105224500000000, -0.0112259800000000 ] - [ 0.0005856900000000, -0.0003761200000000, 0.0003711700000000 ] - [ 0.0221581700000000, -0.0061834200000000, 0.0007842100000000 ] - [ -0.0000566900000000, -0.0000290400000000, 0.0003947000000000 ] - [ 0.0026778400000000, -0.0106428900000000, 0.0023547700000000 ] - [ 0.0001781900000000, -0.0010649600000000, 0.0000173900000000 ] - [ -0.0050130300000000, 0.0031070500000000, -0.0049727900000000 ] - [ 0.0007708600000000, -0.0012492800000000, 0.0007214400000000 ] - [ 0.0011248400000000, 0.0010896700000000, 0.0009995700000000 ] - [ -0.0020923000000000, 0.0029255300000000, -0.0005652900000000 ] - [ -0.0001447500000000, -0.0001222300000000, -0.0001487200000000 ] - [ -0.0009844900000000, 0.0002953600000000, -0.0003106000000000 ] - [ -0.0005691000000000, 0.0012099300000000, 0.0006506000000000 ] - [ 0.0042529800000000, 0.0023344400000000, -0.0005635000000000 ] - [ 0.0011543300000000, -0.0026948700000000, -0.0002988100000000 ] - [ 0.0050206900000000, -0.0086624600000000, -0.0078114200000000 ] - [ 0.0002545100000000, -0.0008694200000000, 0.0001605000000000 ] - [ -0.0022903200000000, -0.0014870700000000, -0.0062576500000000 ] - [ 0.0000043100000000, -0.0004965100000000, -0.0001244600000000 ] - [ -0.0000726500000000, -0.0002340000000000, 0.0002895100000000 ] - [ 0.0003354100000000, 0.0008894800000000, -0.0010236200000000 ] - [ 0.0017535100000000, 0.0009375500000000, 0.0047130900000000 ] - [ 0.0007983400000000, -0.0021442800000000, 0.0007298100000000 ] - [ -0.0090848700000000, 0.0026389400000000, -0.0006288100000000 ] - [ -0.0004871700000000, -0.0000549300000000, -0.0000504900000000 ] - [ -0.0001943100000000, -0.0002273700000000, 0.0002044800000000 ] - [ 0.0074862000000000, -0.0009329500000000, 0.0013761300000000 ] - [ -0.0011111900000000, -0.0000877100000000, 0.0013873300000000 ] - [ 0.0000579300000000, -0.0001476900000000, -0.0002056700000000 ] - [ -0.0125763900000000, 0.0010060500000000, 0.0028767300000000 ] - [ 0.0001820900000000, 0.0005159800000000, -0.0003435500000000 ] - [ -0.0003861800000000, -0.0004267700000000, -0.0002224500000000 ] - [ -0.0006933100000000, 0.0052200800000000, 0.0013160100000000 ] - [ -0.0006868700000000, -0.0062857300000000, 0.0009895000000000 ] - [ 0.0004209600000000, 0.0004779200000000, 0.0003962200000000 ] - [ -0.0001187500000000, 0.0006136400000000, 0.0002317100000000 ] - [ -0.0031553000000000, 0.0015319000000000, 0.0002975800000000 ] - [ 0.0032476300000000, -0.0025131900000000, 0.0003979500000000 ] - [ 0.0002882700000000, 0.0003265300000000, 0.0000044600000000 ] - [ -0.0142209800000000, 0.0000839800000000, -0.0108641200000000 ] - [ 0.0002149600000000, 0.0009573500000000, 0.0002005200000000 ] - [ 0.0024054500000000, 0.0005519900000000, 0.0063577500000000 ] - [ 0.0003747100000000, 0.0002347200000000, 0.0002726400000000 ] - [ 0.0017096600000000, -0.0000514800000000, 0.0008906400000000 ] - [ 0.0010277400000000, 0.0003902100000000, -0.0000189600000000 ] - [ 0.0040862100000000, -0.0004694000000000, -0.0022612300000000 ] - [ 0.0003016300000000, 0.0008066900000000, -0.0001062600000000 ] - [ -0.0003138100000000, 0.0003696800000000, -0.0000642200000000 ] - [ -0.0021936400000000, -0.0023447300000000, -0.0031804700000000 ] - [ 0.0000217600000000, 0.0000805100000000, 0.0001852400000000 ] - [ 0.0016134000000000, -0.0023006900000000, -0.0000974400000000 ] - [ 0.0088261800000000, -0.0028451500000000, -0.0017730200000000 ] - [ 0.0002127600000000, 0.0000749100000000, -0.0001679000000000 ] - [ -0.0002468800000000, -0.0005679400000000, -0.0008774500000000 ] - [ -0.0019342500000000, 0.0030900100000000, -0.0024624900000000 ] - [ 0.0002599900000000, 0.0004412900000000, 0.0000644500000000 ] - [ 0.0008868100000000, -0.0005127000000000, -0.0006592000000000 ] - [ -0.0097887600000000, 0.0004793200000000, 0.0019101000000000 ] - [ -0.0000317500000000, -0.0000612400000000, 0.0000516800000000 ] - [ -0.0218324600000000, -0.0055729900000000, 0.0013136400000000 ] - [ 0.0000052600000000, 0.0004993800000000, 0.0001465400000000 ] - [ -0.0001249000000000, -0.0004318400000000, -0.0003227000000000 ] - [ 0.0011301700000000, 0.0014743200000000, -0.0024542300000000 ] - [ 0.0023793100000000, 0.0015522800000000, 0.0014768000000000 ] - [ -0.0001394400000000, 0.0003517300000000, 0.0004027200000000 ] - [ -0.0020764400000000, 0.0005701100000000, -0.0004280100000000 ] - [ -0.0008282300000000, -0.0003632500000000, -0.0002515100000000 ] - [ 0.0006580300000000, -0.0007142500000000, -0.0006323000000000 ] - [ 0.0003205700000000, 0.0004125500000000, -0.0001478800000000 ] - [ 0.0040749100000000, 0.0012953600000000, -0.0049305100000000 ] - [ 0.0001562000000000, 0.0003796500000000, -0.0000929800000000 ] - [ 0.0000177800000000, 0.0004828200000000, 0.0000740700000000 ] - [ -0.0002621000000000, -0.0003896300000000, -0.0001312900000000 ] - [ -0.0048960200000000, -0.0033123800000000, -0.0014738800000000 ] - [ -0.0002845800000000, 0.0008176200000000, 0.0002239100000000 ] - [ 0.0006994300000000, -0.0030832800000000, -0.0010767100000000 ] - [ 0.0001730400000000, -0.0003923600000000, 0.0002583800000000 ] - [ -0.0002499600000000, 0.0003810900000000, -0.0002330600000000 ] - [ -0.0003605000000000, 0.0007320800000000, -0.0004520000000000 ] - [ 0.0034890200000000, -0.0020155200000000, 0.0007763300000000 ] - [ -0.0000763500000000, -0.0001811200000000, -0.0004846200000000 ] - [ 0.0000014700000000, 0.0003467200000000, 0.0003807200000000 ] - [ -0.0006328200000000, -0.0015907000000000, -0.0003992700000000 ] - [ -0.0003107900000000, -0.0006232800000000, -0.0000184400000000 ] - [ -0.0037242700000000, 0.0045629700000000, -0.0006039500000000 ] - [ -0.0003650200000000, 0.0010469100000000, -0.0069819600000000 ] - [ 0.0000047600000000, 0.0003645700000000, 0.0001308100000000 ] - [ -0.0001414800000000, 0.0001437100000000, 0.0000562900000000 ] - [ 0.0002114900000000, -0.0016733600000000, 0.0023536400000000 ] - [ -0.0039608000000000, 0.0023081800000000, -0.0015890700000000 ] - [ -0.0010644900000000, 0.0000513000000000, -0.0008067500000000 ] - [ 0.0060313700000000, 0.0061389600000000, 0.0053572700000000 ] - [ -0.0000309200000000, 0.0003560300000000, -0.0002985100000000 ] - [ 0.0000432700000000, -0.0000057100000000, -0.0000798500000000 ] - [ 0.0018382000000000, 0.0011557600000000, 0.0055101700000000 ] - [ 0.0001192200000000, 0.0005661200000000, 0.0000584500000000 ] - [ 0.0001863100000000, 0.0001781300000000, 0.0002804100000000 ] - [ -0.0003581100000000, 0.0002803900000000, 0.0000239900000000 ] - [ -0.0121556900000000, 0.0030958700000000, -0.0002281500000000 ] - [ 0.0014810500000000, -0.0044251700000000, -0.0115332400000000 ] - [ -0.0005524900000000, 0.0008120800000000, 0.0001356900000000 ] - [ 0.0006852100000000, -0.0002969500000000, 0.0001228100000000 ] - [ 0.0031706600000000, -0.0000957500000000, 0.0045598700000000 ] - [ 0.0016948400000000, 0.0026813500000000, 0.0029186900000000 ] - [ 0.0001487400000000, 0.0000799700000000, -0.0000319000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0238471000000000, -0.0522191400000000, 0.0124152700000000 ] - [ 0.0006426500000000, 0.0030424300000000, -0.0000373200000000 ] - [ -0.0000573900000000, -0.0025347900000000, -0.0003548900000000 ] - [ 0.0000743700000000, 0.0028235300000000, 0.0002381800000000 ] - [ 0.0000032700000000, 0.0025756700000000, -0.0000612900000000 ] - [ 0.0004416900000000, -0.0019265600000000, 0.0000978200000000 ] - [ -0.0009508600000000, 0.0011659900000000, -0.0004705000000000 ] - [ 0.0000692000000000, 0.0011548300000000, 0.0009386200000000 ] - [ -0.0002670200000000, -0.0063491000000000, 0.0017776600000000 ] - [ -0.0001352700000000, 0.0037529100000000, -0.0004696300000000 ] - [ -0.0001169500000000, 0.0027901100000000, 0.0001517500000000 ] - [ 0.0003711500000000, 0.0014103300000000, 0.0004708700000000 ] - [ 0.0018340700000000, -0.0045680600000000, 0.0028451100000000 ] - [ -0.0003328500000000, 0.0016832100000000, -0.0013286100000000 ] - [ 0.0072987100000000, -0.0028517500000000, -0.0011741500000000 ] - [ -0.0005642300000000, 0.0031310300000000, -0.0002699100000000 ] - [ 0.0006867300000000, -0.0108682800000000, -0.0071652300000000 ] - [ -0.0000865100000000, 0.0030461400000000, 0.0001954300000000 ] - [ 0.0016525100000000, 0.0008235300000000, 0.0012856800000000 ] - [ -0.0003708600000000, 0.0013826000000000, 0.0005727200000000 ] - [ 0.0002647900000000, 0.0027095100000000, 0.0000863600000000 ] - [ -0.0002023200000000, -0.0019693200000000, 0.0023797200000000 ] - [ 0.0016815800000000, 0.0021500000000000, 0.0013203100000000 ] - [ -0.0027212600000000, 0.0008997300000000, 0.0015474300000000 ] - [ 0.0009510000000000, 0.0001583800000000, 0.0000783700000000 ] - [ 0.0001432400000000, 0.0025550900000000, 0.0000555300000000 ] - [ 0.0168187800000000, -0.0000480000000000, -0.0006165400000000 ] - [ 0.0006040700000000, 0.0021609100000000, 0.0007098800000000 ] - [ -0.0027706800000000, -0.0084086800000000, -0.0040916400000000 ] - [ 0.0006586600000000, 0.0035322800000000, 0.0002154000000000 ] - [ -0.0008259400000000, 0.0025892000000000, -0.0009838800000000 ] - [ 0.0102073300000000, -0.0137729300000000, 0.0112504600000000 ] - [ -0.0000371600000000, 0.0020022800000000, -0.0003126600000000 ] - [ 0.0065050700000000, 0.0025346100000000, -0.0161860200000000 ] - [ -0.0011398700000000, 0.0052220100000000, -0.0019093400000000 ] - [ 0.0004487500000000, 0.0150150600000000, 0.0008471200000000 ] - [ 0.0003946100000000, 0.0020294800000000, 0.0004827700000000 ] - [ -0.0099737500000000, 0.0011432500000000, -0.0040851000000000 ] - [ 0.0040698100000000, 0.0026129600000000, -0.0002215700000000 ] - [ -0.0000326400000000, 0.0018170400000000, 0.0018170400000000 ] - [ -0.0000687700000000, -0.0005461500000000, 0.0000327400000000 ] - [ -0.0000333000000000, 0.0024390800000000, -0.0002529200000000 ] - [ 0.0009741500000000, 0.0014448800000000, 0.0003475000000000 ] - [ -0.0000792100000000, 0.0017811800000000, -0.0004477000000000 ] - [ -0.0022029300000000, 0.0051347500000000, -0.0133160800000000 ] - [ -0.0003718900000000, 0.0036737800000000, 0.0012172600000000 ] - [ 0.0004580500000000, 0.0024783600000000, 0.0100325600000000 ] - [ -0.0008007900000000, 0.0026138000000000, -0.0008474300000000 ] - [ -0.0007094900000000, -0.0065196700000000, -0.0007609500000000 ] - [ 0.0005531100000000, 0.0027376400000000, 0.0002331200000000 ] - [ -0.0006417800000000, 0.0020087400000000, 0.0000511500000000 ] - [ -0.0015291800000000, 0.0018825600000000, -0.0018600900000000 ] - [ 0.0000118600000000, 0.0114620000000000, 0.0084352100000000 ] - [ -0.0015784800000000, 0.0059706200000000, -0.0014968400000000 ] - [ 0.0018562400000000, -0.0036248800000000, 0.0014300700000000 ] - [ -0.0009372200000000, 0.0019052400000000, -0.0008984400000000 ] - [ 0.0004789400000000, -0.0017750100000000, 0.0006499200000000 ] - [ -0.0044998200000000, 0.0036763300000000, -0.0013438700000000 ] - [ 0.0009449000000000, 0.0025485100000000, -0.0049312500000000 ] - [ 0.0001169600000000, -0.0020180400000000, 0.0012819600000000 ] - [ -0.0021102000000000, 0.0081708100000000, -0.0031341600000000 ] - [ 0.0009237500000000, -0.0011358700000000, 0.0000502000000000 ] - [ 0.0011448100000000, -0.0033509700000000, 0.0020127400000000 ] - [ 0.0000734800000000, -0.0055624500000000, -0.0030932300000000 ] - [ 0.0028323500000000, 0.0037391500000000, 0.0038347500000000 ] - [ -0.0002944200000000, -0.0041580200000000, -0.0011893200000000 ] - [ 0.0005149100000000, -0.0010780600000000, 0.0009191000000000 ] - [ -0.0002780000000000, -0.0018077800000000, 0.0040158000000000 ] - [ 0.0006383300000000, 0.0022966100000000, -0.0011877900000000 ] - [ 0.0005742100000000, -0.0017993500000000, 0.0006783500000000 ] - [ -0.0009871900000000, 0.0114699900000000, -0.0043359300000000 ] - [ -0.0000251900000000, -0.0021860200000000, 0.0008417300000000 ] - [ 0.0012008500000000, 0.0049036200000000, 0.0019204500000000 ] - [ -0.0002142600000000, -0.0025295900000000, -0.0007001500000000 ] - [ 0.0005495900000000, 0.0007748900000000, -0.0001791200000000 ] - [ 0.0007982000000000, -0.0006197200000000, 0.0005175300000000 ] - [ -0.0016523600000000, 0.0064466600000000, -0.0018657800000000 ] - [ 0.0007360900000000, -0.0022000800000000, 0.0005962900000000 ] - [ -0.0006653800000000, -0.0017269500000000, -0.0003412900000000 ] - [ -0.0000122200000000, 0.0005854400000000, -0.0006369500000000 ] - [ -0.0004173000000000, -0.0018857200000000, -0.0010861000000000 ] - [ 0.0025700600000000, -0.0011060200000000, -0.0004229000000000 ] - [ -0.0022587400000000, 0.0031111900000000, 0.0004456900000000 ] - [ 0.0006101200000000, -0.0012732000000000, 0.0001957400000000 ] - [ 0.0008029400000000, -0.0066281500000000, 0.0006646500000000 ] - [ 0.0005311900000000, -0.0064730100000000, 0.0025797600000000 ] - [ -0.0009397000000000, -0.0007809700000000, -0.0002413100000000 ] - [ 0.0009004500000000, 0.0002402300000000, -0.0006882400000000 ] - [ 0.0028251800000000, 0.0089253400000000, 0.0056371100000000 ] - [ 0.0003948100000000, -0.0019608400000000, -0.0006367700000000 ] - [ 0.0024731200000000, 0.0103871500000000, 0.0049306300000000 ] - [ 0.0001115200000000, -0.0012296200000000, -0.0009581300000000 ] - [ -0.0001467700000000, -0.0024898900000000, 0.0000729300000000 ] - [ -0.0014963900000000, -0.0000384300000000, 0.0000203200000000 ] - [ -0.0016621200000000, -0.0002879200000000, 0.0000152000000000 ] - [ -0.0004601500000000, -0.0006164700000000, -0.0001110700000000 ] - [ -0.0024232800000000, -0.0025624700000000, 0.0024827500000000 ] - [ 0.0006264600000000, -0.0018396900000000, -0.0010523700000000 ] - [ 0.0000057300000000, 0.0002883000000000, -0.0002478400000000 ] - [ -0.0002200700000000, -0.0010024900000000, -0.0002409200000000 ] - [ 0.0000860200000000, 0.0035840600000000, -0.0002040600000000 ] - [ 0.0001129700000000, -0.0012087200000000, 0.0006206900000000 ] - [ -0.0020274700000000, -0.0004776000000000, 0.0005803400000000 ] - [ 0.0001515400000000, -0.0008772800000000, -0.0004959000000000 ] - [ 0.0011319800000000, -0.0091648000000000, 0.0014402200000000 ] - [ 0.0002665700000000, -0.0032169400000000, -0.0005017100000000 ] - [ 0.0003757600000000, 0.0018263000000000, 0.0006853600000000 ] - [ 0.0002521000000000, -0.0025813000000000, -0.0001718400000000 ] - [ -0.0003730600000000, -0.0006649800000000, -0.0000089800000000 ] - [ -0.0006159500000000, -0.0007276300000000, -0.0003581500000000 ] - [ -0.0017677200000000, 0.0029665300000000, -0.0022436900000000 ] - [ 0.0005878100000000, -0.0018088800000000, 0.0004245400000000 ] - [ -0.0018301800000000, -0.0024610400000000, -0.0001298100000000 ] - [ 0.0009684000000000, -0.0018545300000000, -0.0005054800000000 ] - [ 0.0003879600000000, -0.0047883900000000, 0.0012609200000000 ] - [ -0.0023457900000000, 0.0055055700000000, -0.0016351700000000 ] - [ -0.0015585600000000, 0.0030309100000000, 0.0008098400000000 ] - [ 0.0000723900000000, -0.0014673800000000, 0.0004302700000000 ] - [ -0.0002686000000000, -0.0016677000000000, 0.0003802400000000 ] - [ 0.0013268900000000, -0.0015888500000000, 0.0016945300000000 ] - [ -0.0010783600000000, -0.0021399300000000, -0.0047024500000000 ] - [ 0.0004595300000000, -0.0032167600000000, 0.0020416700000000 ] - [ -0.0034322200000000, -0.0012978700000000, -0.0011005400000000 ] - [ -0.0004939000000000, -0.0009793100000000, -0.0011032700000000 ] - [ 0.0000878700000000, -0.0020153300000000, 0.0003079700000000 ] - [ -0.0009379900000000, 0.0040651400000000, -0.0029525300000000 ] - [ -0.0001175600000000, -0.0005801500000000, 0.0002881700000000 ] - [ 0.0000993500000000, -0.0006787700000000, 0.0012606600000000 ] - [ 0.0000192200000000, -0.0012881600000000, 0.0003116700000000 ] - [ -0.0029855200000000, 0.0100173400000000, -0.0036128500000000 ] - [ 0.0036433100000000, 0.0055466200000000, -0.0007326100000000 ] - [ -0.0010773000000000, -0.0009990900000000, -0.0004926100000000 ] - [ 0.0000308900000000, -0.0022356800000000, -0.0007131400000000 ] - [ 0.0036377700000000, 0.0030589400000000, 0.0018197300000000 ] - [ -0.0019068100000000, -0.0012469600000000, -0.0020131700000000 ] - [ 0.0002134600000000, -0.0010482200000000, -0.0003583900000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0245519500000000, 0.0512363800000000, -0.0115872800000000 ] - [ -0.0001698000000000, -0.0036968500000000, 0.0001408900000000 ] - [ 0.0005306500000000, 0.0032125800000000, 0.0004591200000000 ] - [ 0.0004013000000000, -0.0021736600000000, -0.0001331800000000 ] - [ -0.0004769500000000, -0.0019207000000000, -0.0000438600000000 ] - [ -0.0009177300000000, 0.0025626200000000, -0.0002016800000000 ] - [ 0.0004801400000000, -0.0018096300000000, 0.0003731900000000 ] - [ -0.0005387300000000, -0.0018200400000000, -0.0010391900000000 ] - [ 0.0006156800000000, 0.0072671100000000, -0.0020108900000000 ] - [ 0.0004890000000000, -0.0028711200000000, 0.0002347200000000 ] - [ -0.0002343800000000, -0.0019011300000000, 0.0000844700000000 ] - [ -0.0007245200000000, -0.0005451100000000, -0.0002395100000000 ] - [ -0.0012642100000000, 0.0040755900000000, -0.0033812200000000 ] - [ 0.0009021900000000, -0.0021917000000000, 0.0008030500000000 ] - [ -0.0073848600000000, 0.0041933800000000, 0.0012703000000000 ] - [ 0.0005067700000000, -0.0017786700000000, 0.0003623400000000 ] - [ -0.0008280100000000, 0.0117511600000000, 0.0069163300000000 ] - [ -0.0001132300000000, -0.0021595300000000, -0.0004081200000000 ] - [ -0.0024511800000000, -0.0010248200000000, -0.0014984500000000 ] - [ -0.0004346700000000, -0.0016033200000000, -0.0007958600000000 ] - [ -0.0005198800000000, -0.0024931700000000, -0.0002745400000000 ] - [ -0.0000653700000000, 0.0021562300000000, -0.0025966400000000 ] - [ -0.0022608500000000, -0.0026604300000000, -0.0007974300000000 ] - [ 0.0021250500000000, -0.0014147800000000, -0.0010219600000000 ] - [ -0.0008852400000000, 0.0012072600000000, -0.0001701500000000 ] - [ -0.0000856000000000, -0.0012094200000000, -0.0001517800000000 ] - [ -0.0163086400000000, 0.0006538500000000, 0.0001189400000000 ] - [ -0.0000378200000000, -0.0016551900000000, -0.0012362800000000 ] - [ 0.0031247300000000, 0.0076589800000000, 0.0037970300000000 ] - [ -0.0003053400000000, -0.0044175200000000, -0.0004484800000000 ] - [ 0.0008889500000000, -0.0039456700000000, 0.0008953400000000 ] - [ -0.0101359500000000, 0.0122744500000000, -0.0113082400000000 ] - [ 0.0008390000000000, -0.0022211000000000, 0.0005329700000000 ] - [ -0.0056610300000000, -0.0028215200000000, 0.0163030600000000 ] - [ 0.0007909700000000, -0.0061206900000000, 0.0021568300000000 ] - [ -0.0007387000000000, -0.0158214500000000, -0.0005515800000000 ] - [ -0.0001973900000000, -0.0029165000000000, -0.0002713000000000 ] - [ 0.0101751200000000, -0.0020397000000000, 0.0042577900000000 ] - [ -0.0032939400000000, -0.0024039100000000, 0.0004462800000000 ] - [ 0.0008292000000000, -0.0015985000000000, -0.0015834100000000 ] - [ 0.0003273100000000, 0.0007809300000000, 0.0001542500000000 ] - [ 0.0002897900000000, -0.0022269300000000, 0.0004421800000000 ] - [ -0.0007821800000000, -0.0005496800000000, -0.0001376200000000 ] - [ 0.0002738100000000, -0.0009030700000000, 0.0006642100000000 ] - [ 0.0021720100000000, -0.0065309700000000, 0.0135180000000000 ] - [ 0.0003099500000000, -0.0050224300000000, -0.0011161600000000 ] - [ -0.0007173100000000, -0.0033284800000000, -0.0102754200000000 ] - [ 0.0005959200000000, -0.0034999400000000, 0.0006302900000000 ] - [ 0.0009560000000000, 0.0062796000000000, 0.0009373100000000 ] - [ -0.0002984700000000, -0.0029559500000000, -0.0000438100000000 ] - [ 0.0000704200000000, -0.0015009000000000, 0.0004715500000000 ] - [ 0.0009607500000000, -0.0013860700000000, 0.0023896400000000 ] - [ -0.0002599200000000, -0.0117816200000000, -0.0086784500000000 ] - [ 0.0013135300000000, -0.0061589900000000, 0.0012968600000000 ] - [ -0.0026608200000000, 0.0038405000000000, -0.0016550700000000 ] - [ 0.0001364000000000, -0.0016898700000000, 0.0006780200000000 ] - [ -0.0010931000000000, 0.0010969700000000, -0.0001978700000000 ] - [ 0.0038877100000000, -0.0043328200000000, 0.0017857200000000 ] - [ -0.0007998100000000, -0.0032602300000000, 0.0050167200000000 ] - [ 0.0000277000000000, 0.0013233000000000, -0.0012115900000000 ] - [ 0.0027384700000000, -0.0074849100000000, 0.0026415900000000 ] - [ -0.0003145000000000, 0.0018165700000000, -0.0005015800000000 ] - [ -0.0014644900000000, 0.0045558400000000, -0.0024971000000000 ] - [ -0.0003975100000000, 0.0067572000000000, 0.0026116200000000 ] - [ -0.0021962400000000, -0.0048185900000000, -0.0039254800000000 ] - [ 0.0009485800000000, 0.0031356200000000, 0.0011249200000000 ] - [ -0.0003929600000000, 0.0017211900000000, -0.0000856900000000 ] - [ 0.0003918000000000, 0.0024671800000000, -0.0031906300000000 ] - [ -0.0001240100000000, -0.0020090400000000, 0.0012551100000000 ] - [ -0.0000605400000000, 0.0021066200000000, -0.0006160900000000 ] - [ 0.0012680500000000, -0.0102622600000000, 0.0047652800000000 ] - [ 0.0003374200000000, 0.0033842700000000, -0.0003746900000000 ] - [ -0.0006807800000000, -0.0052109500000000, -0.0018205100000000 ] - [ 0.0007291800000000, 0.0022258600000000, 0.0007625800000000 ] - [ 0.0005760900000000, 0.0004476300000000, -0.0000017300000000 ] - [ 0.0003231500000000, 0.0018542100000000, -0.0007031800000000 ] - [ 0.0023201900000000, -0.0054334300000000, 0.0018020000000000 ] - [ -0.0000813700000000, 0.0032242100000000, -0.0006578600000000 ] - [ 0.0001502000000000, 0.0020313800000000, 0.0002764200000000 ] - [ -0.0004938400000000, -0.0002617000000000, 0.0005799200000000 ] - [ 0.0002751300000000, 0.0011911800000000, 0.0010186300000000 ] - [ -0.0027051800000000, 0.0004178100000000, 0.0003642500000000 ] - [ 0.0026163000000000, -0.0032454200000000, -0.0006813600000000 ] - [ -0.0002393100000000, 0.0011327400000000, -0.0004310600000000 ] - [ -0.0013196400000000, 0.0063471800000000, -0.0007346500000000 ] - [ -0.0010490600000000, 0.0061333200000000, -0.0026381200000000 ] - [ 0.0006793600000000, 0.0013284700000000, 0.0002486000000000 ] - [ -0.0011598000000000, 0.0003146500000000, 0.0006941600000000 ] - [ -0.0027753900000000, -0.0097258000000000, -0.0059911300000000 ] - [ -0.0001259800000000, 0.0014130000000000, 0.0006287600000000 ] - [ -0.0023477000000000, -0.0096777400000000, -0.0048836600000000 ] - [ 0.0000336700000000, 0.0019258000000000, 0.0010276500000000 ] - [ -0.0001678200000000, 0.0012918800000000, -0.0005410900000000 ] - [ 0.0011905100000000, -0.0011393800000000, -0.0004890200000000 ] - [ 0.0010444400000000, 0.0009596700000000, 0.0004340900000000 ] - [ -0.0001482600000000, 0.0012994500000000, 0.0005643400000000 ] - [ 0.0030492000000000, 0.0018938400000000, -0.0029596500000000 ] - [ -0.0000131300000000, 0.0011605000000000, 0.0005972500000000 ] - [ -0.0000556400000000, 0.0000605100000000, -0.0001600000000000 ] - [ 0.0001723100000000, 0.0013616300000000, -0.0001625500000000 ] - [ 0.0001736300000000, -0.0030464600000000, 0.0002111800000000 ] - [ 0.0001535000000000, 0.0017578700000000, -0.0006299100000000 ] - [ 0.0016679000000000, 0.0003339800000000, -0.0003477500000000 ] - [ -0.0005170200000000, 0.0007391100000000, 0.0007288200000000 ] - [ -0.0010710000000000, 0.0085896200000000, -0.0010512700000000 ] - [ -0.0002175600000000, 0.0028513500000000, 0.0009018200000000 ] - [ -0.0000664400000000, -0.0030388100000000, -0.0002203100000000 ] - [ 0.0000606000000000, 0.0013872200000000, 0.0006413900000000 ] - [ -0.0002858700000000, 0.0016801900000000, 0.0000669300000000 ] - [ -0.0000401100000000, 0.0017621800000000, 0.0004219400000000 ] - [ 0.0016520200000000, -0.0036128600000000, 0.0014175300000000 ] - [ -0.0007087700000000, 0.0011670900000000, -0.0012565200000000 ] - [ 0.0019594600000000, 0.0018248800000000, 0.0009632600000000 ] - [ -0.0008370700000000, 0.0012067600000000, 0.0013362300000000 ] - [ -0.0010464000000000, 0.0037762400000000, -0.0012052900000000 ] - [ 0.0019680600000000, -0.0060045400000000, 0.0018834700000000 ] - [ 0.0016105700000000, -0.0026755600000000, -0.0004013600000000 ] - [ -0.0000264000000000, 0.0018249400000000, -0.0000249400000000 ] - [ 0.0000041000000000, 0.0011175200000000, -0.0003694800000000 ] - [ -0.0016005000000000, 0.0010588100000000, -0.0016942500000000 ] - [ -0.0000263100000000, 0.0009034400000000, 0.0049293700000000 ] - [ -0.0015774700000000, 0.0019781900000000, -0.0018459700000000 ] - [ 0.0032972200000000, 0.0019160000000000, 0.0002524400000000 ] - [ 0.0003757800000000, 0.0016242800000000, 0.0002724800000000 ] - [ -0.0001351000000000, 0.0016595300000000, -0.0007159900000000 ] - [ 0.0008894100000000, -0.0043947200000000, 0.0025456700000000 ] - [ -0.0000227300000000, 0.0012733900000000, -0.0003569400000000 ] - [ -0.0002423200000000, 0.0013809100000000, -0.0013362600000000 ] - [ -0.0003875900000000, 0.0014296800000000, -0.0000744200000000 ] - [ 0.0023512600000000, -0.0096086300000000, 0.0034813800000000 ] - [ -0.0047921400000000, -0.0042734800000000, 0.0009561300000000 ] - [ -0.0000445000000000, 0.0022316900000000, 0.0006766800000000 ] - [ 0.0010926900000000, 0.0010056600000000, 0.0005284400000000 ] - [ -0.0025070200000000, -0.0042798500000000, -0.0019924000000000 ] - [ 0.0022768700000000, 0.0013653600000000, 0.0017640500000000 ] - [ 0.0001620100000000, 0.0011917200000000, 0.0001231300000000 ]- atom: 1 displacement: [ -0.0045139598196510, 0.0000000000000000, 0.0089232374588249 ] forces: - [ 0.0144714600000000, 0.0211103500000000, -0.0686936200000000 ] - [ 0.0001975200000000, -0.0005878300000000, -0.0000236600000000 ] - [ -0.0012500500000000, 0.0005388000000000, 0.0045040500000000 ] - [ 0.0001510100000000, 0.0000911400000000, 0.0002807000000000 ] - [ -0.0003680000000000, 0.0002113900000000, -0.0001366100000000 ] - [ -0.0020672900000000, 0.0001567500000000, -0.0023321100000000 ] - [ 0.0005000600000000, -0.0010705000000000, 0.0006618600000000 ] - [ 0.0007197700000000, -0.0002740700000000, 0.0007704200000000 ] - [ -0.0032135700000000, 0.0056541500000000, -0.0008140500000000 ] - [ 0.0001976700000000, 0.0001337200000000, -0.0001224000000000 ] - [ -0.0001711500000000, 0.0004738000000000, 0.0004102600000000 ] - [ -0.0000115800000000, -0.0007357600000000, 0.0054384100000000 ] - [ -0.0017389700000000, -0.0016936500000000, 0.0051956900000000 ] - [ 0.0003053800000000, -0.0004745800000000, -0.0000507700000000 ] - [ -0.0157429600000000, -0.0007824600000000, 0.0117473700000000 ] - [ 0.0000054100000000, 0.0005242100000000, 0.0001297900000000 ] - [ -0.0147359200000000, -0.0019345700000000, 0.0038815800000000 ] - [ -0.0001296300000000, 0.0001927200000000, -0.0001502600000000 ] - [ 0.0007190100000000, -0.0003521600000000, -0.0007690600000000 ] - [ -0.0002691900000000, -0.0003739800000000, -0.0003253100000000 ] - [ -0.0001865600000000, -0.0001879800000000, -0.0000675000000000 ] - [ 0.0020037500000000, 0.0034282600000000, 0.0163975800000000 ] - [ -0.0008775200000000, -0.0008333800000000, -0.0001043600000000 ] - [ -0.0010242000000000, 0.0002660700000000, -0.0018957000000000 ] - [ -0.0007532000000000, 0.0021267600000000, 0.0003079600000000 ] - [ 0.0000095000000000, 0.0002985200000000, -0.0001478400000000 ] - [ 0.0052718200000000, -0.0077634600000000, -0.0202457600000000 ] - [ 0.0002655300000000, 0.0000720400000000, -0.0004697900000000 ] - [ 0.0042890100000000, -0.0052680100000000, 0.0089313900000000 ] - [ 0.0001826400000000, -0.0006134300000000, -0.0000936400000000 ] - [ 0.0001250000000000, -0.0009428000000000, 0.0000150800000000 ] - [ 0.0067540100000000, 0.0067340400000000, -0.0006305400000000 ] - [ 0.0004555400000000, -0.0001866500000000, 0.0001170200000000 ] - [ 0.0092639500000000, -0.0186957500000000, 0.0186746500000000 ] - [ -0.0001463700000000, -0.0009968800000000, -0.0007576800000000 ] - [ -0.0006813300000000, 0.0029935400000000, -0.0028978600000000 ] - [ 0.0002031200000000, -0.0006236400000000, -0.0000742900000000 ] - [ 0.0097979300000000, -0.0028207600000000, 0.0013756200000000 ] - [ -0.0017656500000000, -0.0021695500000000, -0.0005929000000000 ] - [ 0.0001031200000000, 0.0006278700000000, 0.0003782900000000 ] - [ -0.0005063500000000, 0.0015420000000000, -0.0010016100000000 ] - [ 0.0001554500000000, -0.0000750100000000, -0.0000327000000000 ] - [ -0.0008128100000000, 0.0001214300000000, 0.0000131900000000 ] - [ -0.0007587800000000, 0.0002732500000000, 0.0013865600000000 ] - [ 0.0012019500000000, -0.0053768100000000, -0.0029775000000000 ] - [ -0.0000766900000000, -0.0001002600000000, -0.0002834400000000 ] - [ 0.0020212700000000, 0.0037346900000000, 0.0042854300000000 ] - [ -0.0000113400000000, -0.0009777400000000, -0.0000422600000000 ] - [ 0.0016137300000000, 0.0020819500000000, 0.0045548700000000 ] - [ 0.0001127200000000, -0.0003360800000000, 0.0001469400000000 ] - [ -0.0001706600000000, 0.0002396200000000, 0.0006008800000000 ] - [ 0.0025048100000000, -0.0025098400000000, 0.0028124600000000 ] - [ -0.0007047000000000, 0.0018336700000000, -0.0033314700000000 ] - [ 0.0000141300000000, -0.0007569700000000, -0.0004380300000000 ] - [ -0.0021399100000000, 0.0000056400000000, 0.0010773700000000 ] - [ -0.0003640500000000, -0.0000661000000000, -0.0000171500000000 ] - [ -0.0003868300000000, -0.0002140300000000, 0.0001960100000000 ] - [ -0.0012709000000000, -0.0015552200000000, 0.0013654000000000 ] - [ -0.0000128300000000, -0.0002169900000000, -0.0041763300000000 ] - [ 0.0001143600000000, -0.0001146000000000, -0.0001718500000000 ] - [ -0.0063029400000000, -0.0021159900000000, 0.0114532700000000 ] - [ 0.0002683900000000, 0.0004331400000000, -0.0002403100000000 ] - [ -0.0003726300000000, 0.0016461800000000, 0.0007133500000000 ] - [ -0.0001560500000000, -0.0003992900000000, -0.0001439100000000 ] - [ -0.0004296600000000, 0.0028904200000000, -0.0003803300000000 ] - [ 0.0002714000000000, -0.0004932400000000, -0.0000723000000000 ] - [ 0.0000114100000000, 0.0003677600000000, 0.0003268100000000 ] - [ -0.0025421000000000, 0.0053941200000000, -0.0059587900000000 ] - [ 0.0013596300000000, -0.0016597700000000, 0.0016151100000000 ] - [ 0.0002087600000000, 0.0003486700000000, 0.0000066000000000 ] - [ 0.0048323600000000, -0.0012038300000000, 0.0093120100000000 ] - [ 0.0001641100000000, 0.0007711100000000, 0.0002037300000000 ] - [ -0.0008526000000000, -0.0018732400000000, -0.0036273600000000 ] - [ 0.0002661200000000, 0.0000107700000000, 0.0000268900000000 ] - [ 0.0009339300000000, 0.0003049700000000, 0.0006758200000000 ] - [ 0.0006249100000000, 0.0007323700000000, -0.0003341500000000 ] - [ 0.0055251100000000, -0.0016439500000000, -0.0003289600000000 ] - [ 0.0003006300000000, 0.0007445900000000, -0.0000783900000000 ] - [ -0.0002373400000000, 0.0003436500000000, -0.0001870800000000 ] - [ -0.0014820300000000, -0.0028790000000000, -0.0047636600000000 ] - [ 0.0000161700000000, -0.0000751200000000, 0.0002973700000000 ] - [ -0.0018563500000000, 0.0004653500000000, 0.0021629800000000 ] - [ 0.0045265000000000, -0.0008975400000000, -0.0000045200000000 ] - [ 0.0001702200000000, 0.0000515400000000, -0.0001440300000000 ] - [ 0.0000861100000000, -0.0002463900000000, 0.0008521900000000 ] - [ 0.0001649300000000, -0.0000226300000000, 0.0017774900000000 ] - [ 0.0001766000000000, 0.0004889900000000, 0.0001208200000000 ] - [ 0.0001500200000000, -0.0001538000000000, 0.0003822900000000 ] - [ -0.0023911400000000, 0.0045461900000000, 0.0135223200000000 ] - [ 0.0000695500000000, -0.0000456000000000, 0.0001481700000000 ] - [ -0.0139693900000000, -0.0002810400000000, 0.0114906000000000 ] - [ 0.0000795600000000, 0.0005001700000000, 0.0001948900000000 ] - [ -0.0001488200000000, -0.0005198300000000, -0.0003169800000000 ] - [ 0.0032991500000000, 0.0032989400000000, -0.0034471100000000 ] - [ 0.0000381100000000, 0.0003108500000000, 0.0000518300000000 ] - [ -0.0003562000000000, 0.0004931500000000, 0.0002572100000000 ] - [ 0.0012167700000000, 0.0025434800000000, -0.0000355300000000 ] - [ 0.0004018400000000, -0.0005128300000000, -0.0002699200000000 ] - [ 0.0001977700000000, -0.0003569000000000, -0.0000895600000000 ] - [ 0.0000277400000000, 0.0003749200000000, -0.0000378400000000 ] - [ 0.0036751700000000, 0.0025070500000000, -0.0040453000000000 ] - [ 0.0001872200000000, 0.0003965800000000, -0.0001107400000000 ] - [ 0.0010128700000000, 0.0004971300000000, -0.0002325500000000 ] - [ 0.0002551800000000, -0.0000372600000000, -0.0001479500000000 ] - [ -0.0015640500000000, 0.0004829900000000, 0.0062603400000000 ] - [ 0.0000048200000000, 0.0001138200000000, 0.0007008000000000 ] - [ 0.0008849600000000, -0.0026818000000000, -0.0007038900000000 ] - [ 0.0001306600000000, -0.0003667900000000, 0.0002841000000000 ] - [ -0.0003094400000000, 0.0001556700000000, -0.0004515900000000 ] - [ -0.0003797600000000, 0.0009575000000000, -0.0007239300000000 ] - [ 0.0000234300000000, -0.0001292500000000, -0.0020219200000000 ] - [ -0.0001305600000000, -0.0001745500000000, -0.0005232300000000 ] - [ 0.0005936400000000, 0.0005231800000000, 0.0012590400000000 ] - [ 0.0003584900000000, -0.0007031900000000, 0.0007643700000000 ] - [ -0.0003857200000000, -0.0001260200000000, 0.0001069300000000 ] - [ -0.0021211900000000, -0.0038751800000000, 0.0050468700000000 ] - [ 0.0018253100000000, 0.0011345800000000, -0.0106147500000000 ] - [ 0.0000315200000000, 0.0003418400000000, 0.0001113400000000 ] - [ -0.0002248800000000, -0.0002452500000000, -0.0001344700000000 ] - [ -0.0022816200000000, 0.0013462400000000, -0.0016347900000000 ] - [ -0.0006879700000000, -0.0023631700000000, 0.0008699300000000 ] - [ -0.0006080700000000, -0.0001936200000000, 0.0002261500000000 ] - [ -0.0007810900000000, 0.0019447100000000, 0.0028547400000000 ] - [ -0.0000205500000000, 0.0004674700000000, -0.0002366600000000 ] - [ -0.0000526900000000, 0.0000065100000000, -0.0002692200000000 ] - [ -0.0011562900000000, -0.0017267600000000, -0.0024043900000000 ] - [ 0.0000256200000000, 0.0004814700000000, -0.0002832900000000 ] - [ -0.0005272400000000, 0.0016482800000000, -0.0021371200000000 ] - [ -0.0002535100000000, 0.0001710700000000, 0.0001349800000000 ] - [ -0.0066955000000000, -0.0002826800000000, 0.0058959700000000 ] - [ 0.0071653000000000, -0.0035830500000000, -0.0110791700000000 ] - [ -0.0004983400000000, 0.0007937400000000, 0.0001317800000000 ] - [ 0.0005677000000000, -0.0004946100000000, -0.0000447300000000 ] - [ -0.0023679000000000, -0.0021749300000000, -0.0028974200000000 ] - [ -0.0014518900000000, -0.0006275100000000, -0.0007972200000000 ] - [ 0.0000841300000000, 0.0003496000000000, -0.0000728200000000 ]- atom: 1 displacement: [ 0.0045139598196510, 0.0000000000000000, -0.0089232374588249 ] forces: - [ -0.0141803000000000, -0.0221679900000000, 0.0701065400000000 ] - [ 0.0002768600000000, -0.0000626100000000, 0.0001284600000000 ] - [ 0.0017236600000000, 0.0000783400000000, -0.0044046300000000 ] - [ 0.0003202700000000, 0.0005707000000000, -0.0001775600000000 ] - [ -0.0001048300000000, 0.0004443800000000, 0.0000328300000000 ] - [ 0.0016025100000000, 0.0005028600000000, 0.0022436100000000 ] - [ -0.0009768200000000, 0.0004202400000000, -0.0007685700000000 ] - [ -0.0011988900000000, -0.0003815600000000, -0.0008836100000000 ] - [ 0.0035907100000000, -0.0048239900000000, 0.0006061300000000 ] - [ 0.0001542400000000, 0.0007574500000000, -0.0001101700000000 ] - [ -0.0001824100000000, 0.0004095800000000, -0.0001770300000000 ] - [ -0.0003350800000000, 0.0016522700000000, -0.0051974800000000 ] - [ 0.0022831300000000, 0.0011896600000000, -0.0057249700000000 ] - [ 0.0002607900000000, -0.0000302200000000, -0.0004733600000000 ] - [ 0.0157773100000000, 0.0021923300000000, -0.0117249300000000 ] - [ -0.0000678100000000, 0.0008291200000000, -0.0000367000000000 ] - [ 0.0144293200000000, 0.0027342300000000, -0.0041968400000000 ] - [ -0.0000667100000000, 0.0006972500000000, -0.0000647100000000 ] - [ -0.0015095100000000, 0.0001461400000000, 0.0005578000000000 ] - [ -0.0005304000000000, 0.0001611200000000, 0.0001071300000000 ] - [ -0.0000681500000000, 0.0004051600000000, -0.0001272800000000 ] - [ -0.0022520400000000, -0.0031593800000000, -0.0165193400000000 ] - [ 0.0003136000000000, 0.0003278500000000, 0.0006273400000000 ] - [ 0.0004616900000000, -0.0007682600000000, 0.0024114700000000 ] - [ 0.0008256700000000, -0.0007933900000000, -0.0004003900000000 ] - [ 0.0000579700000000, 0.0010633800000000, 0.0000624000000000 ] - [ -0.0045887600000000, 0.0083354400000000, 0.0197455900000000 ] - [ 0.0003041300000000, 0.0004385000000000, -0.0000529500000000 ] - [ -0.0039000400000000, 0.0044190700000000, -0.0092167500000000 ] - [ 0.0001699800000000, -0.0002699900000000, -0.0001410800000000 ] - [ -0.0000685300000000, -0.0004030400000000, -0.0001107000000000 ] - [ -0.0067516300000000, -0.0081191700000000, 0.0004608800000000 ] - [ 0.0003446200000000, -0.0000269800000000, 0.0001051200000000 ] - [ -0.0086253000000000, 0.0187140700000000, -0.0186005000000000 ] - [ -0.0002090900000000, 0.0001273800000000, 0.0009845100000000 ] - [ 0.0003385800000000, -0.0039604200000000, 0.0031537800000000 ] - [ -0.0000050700000000, -0.0002607200000000, 0.0002889100000000 ] - [ -0.0096125400000000, 0.0019259500000000, -0.0011681800000000 ] - [ 0.0025652500000000, 0.0023790200000000, 0.0007985800000000 ] - [ 0.0007037500000000, -0.0004040600000000, -0.0001620500000000 ] - [ 0.0007622000000000, -0.0013341000000000, 0.0011978600000000 ] - [ 0.0000975600000000, 0.0002948600000000, 0.0002280900000000 ] - [ 0.0010057500000000, 0.0007614900000000, 0.0001999200000000 ] - [ 0.0009528700000000, 0.0006212100000000, -0.0011762100000000 ] - [ -0.0012345400000000, 0.0040408800000000, 0.0030023100000000 ] - [ 0.0000258800000000, -0.0012611400000000, 0.0003750500000000 ] - [ -0.0022703700000000, -0.0046333700000000, -0.0044501400000000 ] - [ -0.0001841500000000, 0.0000932200000000, -0.0001703800000000 ] - [ -0.0013598400000000, -0.0023076900000000, -0.0043755200000000 ] - [ 0.0001424400000000, 0.0001234000000000, 0.0000463500000000 ] - [ -0.0003984200000000, 0.0002690000000000, -0.0000750400000000 ] - [ -0.0031077100000000, 0.0030382100000000, -0.0022949000000000 ] - [ 0.0004531100000000, -0.0020138900000000, 0.0032057100000000 ] - [ -0.0002644300000000, 0.0005316200000000, 0.0002504200000000 ] - [ 0.0013119800000000, 0.0002214200000000, -0.0013013700000000 ] - [ -0.0004390000000000, 0.0002856100000000, -0.0002037900000000 ] - [ -0.0002243800000000, -0.0004632400000000, 0.0002507300000000 ] - [ 0.0006911600000000, 0.0008752700000000, -0.0009228900000000 ] - [ 0.0001891800000000, -0.0004611800000000, 0.0042428900000000 ] - [ 0.0000383900000000, -0.0005830500000000, 0.0002432100000000 ] - [ 0.0076485300000000, 0.0032498800000000, -0.0129635500000000 ] - [ 0.0003474100000000, 0.0002409200000000, -0.0002066600000000 ] - [ 0.0000648800000000, -0.0004672500000000, -0.0011650000000000 ] - [ -0.0001589000000000, 0.0016235000000000, -0.0003084100000000 ] - [ 0.0010778500000000, -0.0039240000000000, 0.0003338200000000 ] - [ 0.0003854400000000, -0.0005251900000000, 0.0000136700000000 ] - [ 0.0001203800000000, 0.0002740100000000, 0.0005022700000000 ] - [ 0.0027085800000000, -0.0047849500000000, 0.0068047900000000 ] - [ -0.0008540600000000, 0.0019794800000000, -0.0015725900000000 ] - [ 0.0003004500000000, -0.0000494200000000, 0.0000524200000000 ] - [ -0.0043236200000000, 0.0023657500000000, -0.0087262100000000 ] - [ 0.0001452100000000, 0.0004202900000000, 0.0002618700000000 ] - [ 0.0013592700000000, 0.0015765600000000, 0.0037248700000000 ] - [ 0.0002419000000000, -0.0003146800000000, 0.0000331100000000 ] - [ 0.0001780400000000, 0.0009329400000000, -0.0008666400000000 ] - [ 0.0004888800000000, 0.0004987100000000, 0.0001451800000000 ] - [ -0.0049174300000000, 0.0026893400000000, 0.0002568000000000 ] - [ 0.0003571000000000, 0.0002723800000000, 0.0000184100000000 ] - [ -0.0002711000000000, -0.0000405700000000, 0.0001281800000000 ] - [ 0.0009606500000000, 0.0031508200000000, 0.0046855800000000 ] - [ -0.0001695100000000, -0.0006222100000000, -0.0003680900000000 ] - [ 0.0017080000000000, -0.0011625900000000, -0.0022331700000000 ] - [ -0.0041437800000000, 0.0007712500000000, -0.0002244400000000 ] - [ 0.0001975100000000, -0.0001898600000000, -0.0000979000000000 ] - [ -0.0005918900000000, -0.0000809800000000, -0.0009162000000000 ] - [ -0.0006770400000000, -0.0002622200000000, -0.0018595000000000 ] - [ -0.0004513300000000, 0.0000553200000000, -0.0001121200000000 ] - [ -0.0004225300000000, 0.0006917200000000, -0.0003742000000000 ] - [ 0.0025534600000000, -0.0051870100000000, -0.0136203100000000 ] - [ 0.0002029100000000, -0.0004992100000000, -0.0001559600000000 ] - [ 0.0135187800000000, 0.0008322100000000, -0.0113484400000000 ] - [ 0.0000709000000000, 0.0001953600000000, -0.0001237600000000 ] - [ -0.0001600500000000, -0.0006748200000000, -0.0001492700000000 ] - [ -0.0036273800000000, -0.0045230500000000, 0.0029858600000000 ] - [ -0.0006659800000000, 0.0003626100000000, 0.0003945400000000 ] - [ -0.0002630900000000, 0.0001794900000000, 0.0001895800000000 ] - [ -0.0006154400000000, -0.0032003000000000, -0.0003976200000000 ] - [ 0.0002047600000000, -0.0001644800000000, -0.0001750800000000 ] - [ -0.0002543500000000, 0.0007160100000000, -0.0003188800000000 ] - [ -0.0000823400000000, -0.0000250200000000, -0.0003719200000000 ] - [ -0.0033823200000000, -0.0019488500000000, 0.0040477700000000 ] - [ 0.0000865600000000, 0.0001448400000000, 0.0001048100000000 ] - [ -0.0013797100000000, -0.0006299100000000, 0.0004783500000000 ] - [ -0.0006234900000000, -0.0001042500000000, 0.0003936300000000 ] - [ 0.0016179400000000, -0.0009050900000000, -0.0058577600000000 ] - [ 0.0000475100000000, -0.0004647700000000, -0.0002953400000000 ] - [ -0.0005868300000000, 0.0015129100000000, 0.0011670000000000 ] - [ 0.0001779100000000, -0.0008324000000000, 0.0001781600000000 ] - [ -0.0003501400000000, 0.0008706400000000, 0.0005109700000000 ] - [ -0.0002822000000000, 0.0000397300000000, 0.0007777500000000 ] - [ -0.0001397800000000, -0.0005207600000000, 0.0012015200000000 ] - [ -0.0000000500000000, -0.0004697200000000, -0.0003050800000000 ] - [ -0.0004634700000000, -0.0011666100000000, -0.0004237000000000 ] - [ -0.0002298100000000, 0.0000577100000000, 0.0000670300000000 ] - [ -0.0002689400000000, -0.0009041100000000, -0.0000430900000000 ] - [ 0.0014696600000000, 0.0028831100000000, -0.0049913600000000 ] - [ -0.0017775100000000, -0.0007911800000000, 0.0110091400000000 ] - [ 0.0000231000000000, 0.0000109800000000, 0.0002949900000000 ] - [ -0.0000478900000000, -0.0002995600000000, 0.0001412300000000 ] - [ 0.0020199000000000, -0.0018868000000000, 0.0016353500000000 ] - [ -0.0004133700000000, 0.0011356900000000, -0.0007120100000000 ] - [ -0.0005043900000000, -0.0010392500000000, -0.0000429200000000 ] - [ 0.0006302000000000, -0.0013199200000000, -0.0036952600000000 ] - [ -0.0001126900000000, 0.0001723500000000, -0.0005941600000000 ] - [ -0.0000011200000000, -0.0003632100000000, -0.0001358300000000 ] - [ 0.0011064000000000, 0.0013818900000000, 0.0020251800000000 ] - [ -0.0001757200000000, 0.0002160700000000, 0.0002099500000000 ] - [ 0.0003836800000000, -0.0009607300000000, 0.0020750200000000 ] - [ -0.0001125700000000, -0.0000360700000000, 0.0001076000000000 ] - [ 0.0063482400000000, 0.0004644100000000, -0.0057241000000000 ] - [ -0.0082167500000000, 0.0047969500000000, 0.0112640300000000 ] - [ -0.0006134900000000, 0.0004397500000000, 0.0000585900000000 ] - [ 0.0005423200000000, -0.0007410000000000, -0.0001438300000000 ] - [ 0.0034828000000000, 0.0009490500000000, 0.0027180700000000 ] - [ 0.0018141300000000, 0.0007523300000000, 0.0005386900000000 ] - [ 0.0002829800000000, -0.0002131600000000, -0.0001690400000000 ]- atom: 9 displacement: [ 0.0099999786541794, 0.0000000000000000, -0.0000206619446251 ] forces: - [ 0.0045823400000000, -0.0007538900000000, -0.0015437600000000 ] - [ 0.0002470600000000, -0.0006392700000000, 0.0000817300000000 ] - [ 0.0017863600000000, 0.0032607600000000, 0.0053886800000000 ] - [ 0.0003669700000000, -0.0001551300000000, 0.0001255100000000 ] - [ -0.0003604900000000, -0.0006293600000000, -0.0000774800000000 ] - [ -0.0031176000000000, 0.0009141700000000, -0.0020708200000000 ] - [ -0.0007167000000000, -0.0008789200000000, -0.0001369900000000 ] - [ -0.0002854100000000, -0.0003837400000000, -0.0000709300000000 ] - [ -0.1600193600000000, 0.0648672800000000, -0.0646798100000000 ] - [ 0.0002256100000000, -0.0001316100000000, -0.0001231600000000 ] - [ -0.0003919400000000, 0.0005524800000000, 0.0002074000000000 ] - [ -0.0003907400000000, -0.0009784000000000, 0.0014349500000000 ] - [ 0.0007355700000000, -0.0002985200000000, 0.0008653300000000 ] - [ 0.0003943200000000, -0.0005410800000000, -0.0001042400000000 ] - [ 0.0063068100000000, -0.0123057600000000, 0.0033265500000000 ] - [ -0.0000133700000000, 0.0003049900000000, 0.0001141600000000 ] - [ 0.0010429600000000, 0.0018111200000000, 0.0021654800000000 ] - [ -0.0000263900000000, 0.0000486400000000, -0.0001072200000000 ] - [ 0.0009003600000000, -0.0060423200000000, -0.0070678600000000 ] - [ -0.0005496800000000, -0.0003580500000000, -0.0002197800000000 ] - [ -0.0001307600000000, -0.0001820500000000, -0.0000663000000000 ] - [ 0.0003060800000000, -0.0004938500000000, 0.0023433500000000 ] - [ 0.0002351400000000, -0.0006935900000000, 0.0001389100000000 ] - [ -0.0003651700000000, -0.0001615800000000, 0.0003718400000000 ] - [ -0.0029782800000000, 0.0024602900000000, -0.0089026000000000 ] - [ -0.0003227100000000, 0.0000196100000000, -0.0002669800000000 ] - [ 0.0076849800000000, 0.0048114400000000, 0.0016674000000000 ] - [ 0.0002131300000000, -0.0000216500000000, -0.0004077400000000 ] - [ -0.0005395700000000, 0.0002938600000000, -0.0018005800000000 ] - [ 0.0001174800000000, -0.0008995900000000, -0.0001867800000000 ] - [ -0.0001507200000000, -0.0009174800000000, -0.0001215100000000 ] - [ -0.0003697100000000, -0.0007363600000000, -0.0009930900000000 ] - [ 0.0005241800000000, -0.0002625100000000, 0.0002842200000000 ] - [ 0.0035259400000000, -0.0013867100000000, 0.0008268900000000 ] - [ -0.0003287500000000, -0.0003610300000000, -0.0003781100000000 ] - [ -0.0001223000000000, -0.0008025200000000, -0.0000840600000000 ] - [ 0.0003024000000000, -0.0009463000000000, -0.0000724000000000 ] - [ 0.0013280800000000, 0.0003545900000000, 0.0006757600000000 ] - [ 0.0013806800000000, 0.0003711000000000, 0.0004405400000000 ] - [ 0.0003745900000000, -0.0000857700000000, 0.0001723700000000 ] - [ 0.0046922000000000, -0.0119571900000000, 0.0078153700000000 ] - [ 0.0001394200000000, -0.0003423300000000, -0.0000839200000000 ] - [ 0.0008514100000000, -0.0011808400000000, 0.0012908200000000 ] - [ 0.0001824200000000, 0.0002811000000000, 0.0001317800000000 ] - [ -0.0003967900000000, -0.0003026500000000, -0.0018768400000000 ] - [ -0.0001035700000000, -0.0009932900000000, -0.0000283700000000 ] - [ 0.0030319900000000, -0.0009529700000000, -0.0002842200000000 ] - [ -0.0000361300000000, -0.0007972300000000, -0.0000456700000000 ] - [ 0.0000747600000000, 0.0015068600000000, -0.0007795700000000 ] - [ 0.0000433500000000, -0.0005014000000000, -0.0000147300000000 ] - [ 0.0000146500000000, -0.0000846000000000, 0.0007507000000000 ] - [ 0.0004853100000000, -0.0001461900000000, 0.0004004400000000 ] - [ 0.0008639900000000, 0.0019738000000000, 0.0002664800000000 ] - [ -0.0000006000000000, -0.0005668600000000, -0.0000597400000000 ] - [ -0.0024144000000000, 0.0021450000000000, 0.0008364100000000 ] - [ -0.0003760200000000, -0.0001974200000000, 0.0000396800000000 ] - [ -0.0002471200000000, -0.0001080800000000, 0.0001380100000000 ] - [ 0.0008338900000000, -0.0010166500000000, 0.0012034800000000 ] - [ -0.0009383000000000, -0.0004383700000000, -0.0005445200000000 ] - [ 0.0000473900000000, -0.0001288200000000, -0.0001181700000000 ] - [ -0.0003875000000000, 0.0020748500000000, -0.0002204100000000 ] - [ 0.0002318800000000, 0.0005052300000000, -0.0003033800000000 ] - [ 0.0001874500000000, 0.0004313000000000, 0.0002596200000000 ] - [ -0.0001198100000000, 0.0008748800000000, -0.0000979000000000 ] - [ 0.0009176200000000, -0.0007154700000000, 0.0004772700000000 ] - [ 0.0004011700000000, -0.0001447000000000, 0.0000691100000000 ] - [ -0.0001410400000000, 0.0005360800000000, 0.0001855400000000 ] - [ -0.0008344400000000, 0.0010375900000000, -0.0003345900000000 ] - [ 0.0512223200000000, -0.0117498400000000, 0.0337283000000000 ] - [ 0.0002047300000000, 0.0005041700000000, -0.0000134700000000 ] - [ 0.0004095800000000, -0.0000131900000000, 0.0018674100000000 ] - [ 0.0002117000000000, 0.0008740600000000, 0.0002054600000000 ] - [ 0.0003276100000000, -0.0006393500000000, 0.0014942300000000 ] - [ 0.0003319100000000, 0.0001676300000000, 0.0001441100000000 ] - [ -0.0020009500000000, 0.0016280100000000, -0.0021906500000000 ] - [ 0.0005335600000000, 0.0007662400000000, -0.0000760700000000 ] - [ 0.0535121900000000, -0.0329039100000000, 0.0142296500000000 ] - [ 0.0003096900000000, 0.0009734300000000, -0.0000902300000000 ] - [ -0.0002244400000000, 0.0003573600000000, 0.0000125400000000 ] - [ -0.0003499200000000, 0.0004900200000000, -0.0008424400000000 ] - [ -0.0002547000000000, 0.0000157000000000, 0.0002357900000000 ] - [ 0.0000708600000000, -0.0006169100000000, -0.0002455600000000 ] - [ 0.0004642800000000, -0.0013416100000000, -0.0014489800000000 ] - [ 0.0001138700000000, 0.0001811400000000, -0.0002213100000000 ] - [ -0.0000372900000000, -0.0008580900000000, 0.0002445900000000 ] - [ -0.0004004700000000, 0.0001860000000000, 0.0000178100000000 ] - [ -0.0006052800000000, 0.0008384400000000, 0.0000870200000000 ] - [ 0.0000634400000000, 0.0003461900000000, 0.0002627500000000 ] - [ -0.0034362400000000, -0.0011904700000000, 0.0010110600000000 ] - [ 0.0001112600000000, -0.0000669300000000, 0.0000783100000000 ] - [ -0.0015968900000000, -0.0013587500000000, -0.0019086800000000 ] - [ 0.0000526000000000, 0.0005714500000000, 0.0001769700000000 ] - [ 0.0000033100000000, -0.0003927100000000, -0.0001418000000000 ] - [ -0.0012878800000000, 0.0028648200000000, -0.0014404400000000 ] - [ 0.0049270700000000, -0.0007579300000000, 0.0020670500000000 ] - [ -0.0000378000000000, 0.0005477700000000, 0.0002676200000000 ] - [ -0.0003283300000000, -0.0006890700000000, -0.0000666100000000 ] - [ 0.0003535600000000, -0.0001739000000000, -0.0002358300000000 ] - [ 0.0010387000000000, 0.0028289100000000, 0.0036094700000000 ] - [ 0.0000569200000000, 0.0005965300000000, -0.0000176300000000 ] - [ -0.0001427400000000, -0.0000085600000000, -0.0008107200000000 ] - [ 0.0001145800000000, 0.0005022900000000, -0.0001184400000000 ] - [ -0.0012052300000000, -0.0000714400000000, -0.0003114000000000 ] - [ -0.0001839800000000, 0.0000863800000000, 0.0001142200000000 ] - [ -0.0009331400000000, -0.0015754000000000, 0.0014139300000000 ] - [ 0.0000235100000000, 0.0000770200000000, 0.0002717200000000 ] - [ 0.0473533600000000, -0.0035942600000000, 0.0114748900000000 ] - [ 0.0001514300000000, -0.0001410100000000, 0.0003485500000000 ] - [ -0.0004099600000000, 0.0010806700000000, 0.0008705100000000 ] - [ -0.0000778100000000, 0.0016532600000000, 0.0000127500000000 ] - [ -0.0000882400000000, -0.0006189000000000, -0.0008571600000000 ] - [ -0.0001542200000000, -0.0000924700000000, -0.0005597200000000 ] - [ -0.0003825100000000, -0.0003093500000000, 0.0001743300000000 ] - [ 0.0000475200000000, -0.0002586800000000, 0.0003739400000000 ] - [ -0.0002650200000000, -0.0005256000000000, 0.0001135300000000 ] - [ -0.0002606800000000, -0.0003767200000000, 0.0004834800000000 ] - [ -0.0007204100000000, 0.0014147900000000, -0.0029825400000000 ] - [ 0.0000242600000000, 0.0004077900000000, 0.0001662300000000 ] - [ -0.0001977700000000, -0.0000060500000000, -0.0001368500000000 ] - [ -0.0006921600000000, -0.0004333400000000, 0.0001109500000000 ] - [ -0.0022454100000000, -0.0007077800000000, -0.0003447900000000 ] - [ -0.0006870800000000, -0.0003716300000000, -0.0000164800000000 ] - [ -0.0063816300000000, 0.0022835900000000, -0.0004989600000000 ] - [ 0.0000409500000000, 0.0005283800000000, -0.0002981800000000 ] - [ 0.0000270000000000, 0.0000429400000000, -0.0001646200000000 ] - [ 0.0001837200000000, -0.0007381700000000, 0.0005763700000000 ] - [ -0.0001424700000000, 0.0007811800000000, -0.0005300000000000 ] - [ -0.0002269300000000, 0.0004927900000000, -0.0001654100000000 ] - [ -0.0003713300000000, 0.0002484500000000, 0.0000553500000000 ] - [ -0.0017882500000000, 0.0001405100000000, 0.0002790600000000 ] - [ -0.0013967900000000, -0.0002239100000000, -0.0016634100000000 ] - [ -0.0005500400000000, 0.0008310300000000, 0.0001235300000000 ] - [ 0.0006132400000000, -0.0003347100000000, 0.0000778600000000 ] - [ 0.0000793700000000, -0.0018813600000000, -0.0000011100000000 ] - [ -0.0015695900000000, 0.0006985300000000, 0.0015035600000000 ] - [ 0.0002508700000000, 0.0001996500000000, -0.0001070300000000 ]- atom: 9 displacement: [ -0.0099999786541794, 0.0000000000000000, 0.0000206619446251 ] forces: - [ -0.0041151700000000, 0.0001368800000000, 0.0016787700000000 ] - [ 0.0002255700000000, -0.0000171000000000, 0.0000224500000000 ] - [ -0.0012516800000000, -0.0026182100000000, -0.0052835600000000 ] - [ 0.0001084200000000, 0.0008071500000000, -0.0000196700000000 ] - [ -0.0001196400000000, 0.0012930000000000, -0.0000292900000000 ] - [ 0.0025914200000000, -0.0002697400000000, 0.0019458700000000 ] - [ 0.0002439100000000, 0.0002146400000000, 0.0000110700000000 ] - [ -0.0001901900000000, -0.0002667500000000, -0.0000343000000000 ] - [ 0.1605789100000000, -0.0642593900000000, 0.0640770400000000 ] - [ 0.0001274700000000, 0.0010175900000000, -0.0001106000000000 ] - [ 0.0000423300000000, 0.0003579400000000, 0.0000332500000000 ] - [ 0.0000383300000000, 0.0018474400000000, -0.0011716600000000 ] - [ -0.0001744100000000, -0.0001989900000000, -0.0014119400000000 ] - [ 0.0001743100000000, 0.0000326500000000, -0.0004200900000000 ] - [ -0.0061448400000000, 0.0137270500000000, -0.0032603800000000 ] - [ -0.0000416600000000, 0.0010522800000000, -0.0000215700000000 ] - [ -0.0012565200000000, -0.0008945800000000, -0.0023280500000000 ] - [ -0.0001700800000000, 0.0008388700000000, -0.0001065400000000 ] - [ -0.0017079900000000, 0.0056972600000000, 0.0066800300000000 ] - [ -0.0002540800000000, 0.0001401800000000, -0.0000002800000000 ] - [ -0.0001224500000000, 0.0004029700000000, -0.0001249600000000 ] - [ -0.0005563700000000, 0.0007015300000000, -0.0025035000000000 ] - [ -0.0008209000000000, 0.0001719300000000, 0.0003917700000000 ] - [ -0.0002065000000000, -0.0003414900000000, 0.0001584800000000 ] - [ 0.0028368500000000, -0.0010317700000000, 0.0088209300000000 ] - [ 0.0003760800000000, 0.0013237800000000, 0.0001701100000000 ] - [ -0.0069835600000000, -0.0041799800000000, -0.0021234300000000 ] - [ 0.0003543100000000, 0.0005285900000000, -0.0001155500000000 ] - [ 0.0008894000000000, -0.0011934100000000, 0.0015543800000000 ] - [ 0.0002353600000000, 0.0000125600000000, -0.0000468500000000 ] - [ 0.0002150900000000, -0.0004367100000000, 0.0000284600000000 ] - [ 0.0004488600000000, -0.0006080600000000, 0.0008874200000000 ] - [ 0.0002805400000000, 0.0000412400000000, -0.0000641800000000 ] - [ -0.0027364600000000, 0.0011889500000000, -0.0006222400000000 ] - [ -0.0000183000000000, -0.0005343600000000, 0.0006201100000000 ] - [ -0.0002299800000000, -0.0000784000000000, 0.0003168500000000 ] - [ -0.0001075200000000, 0.0000514800000000, 0.0002892100000000 ] - [ -0.0011333700000000, -0.0012193700000000, -0.0004554100000000 ] - [ -0.0005872600000000, -0.0001580400000000, -0.0002009700000000 ] - [ 0.0004252900000000, 0.0003024400000000, 0.0000512600000000 ] - [ -0.0046196000000000, 0.0122255900000000, -0.0076250500000000 ] - [ 0.0001154600000000, 0.0005543000000000, 0.0002734200000000 ] - [ -0.0006709200000000, 0.0020846500000000, -0.0010913800000000 ] - [ 0.0000161000000000, 0.0006081600000000, 0.0000781000000000 ] - [ 0.0003419300000000, -0.0010566400000000, 0.0020118500000000 ] - [ 0.0000416200000000, -0.0003570800000000, 0.0001222700000000 ] - [ -0.0031926200000000, 0.0000554800000000, 0.0000291200000000 ] - [ -0.0001598000000000, -0.0000896000000000, -0.0001688300000000 ] - [ 0.0001738500000000, -0.0017076000000000, 0.0009524300000000 ] - [ 0.0002109000000000, 0.0002835000000000, 0.0002075700000000 ] - [ -0.0005757700000000, 0.0005868500000000, -0.0002348000000000 ] - [ -0.0010529200000000, 0.0006599100000000, 0.0001161700000000 ] - [ -0.0011084200000000, -0.0022327300000000, -0.0004599800000000 ] - [ -0.0002544800000000, 0.0003532500000000, -0.0001346700000000 ] - [ 0.0015740000000000, -0.0019403500000000, -0.0010735800000000 ] - [ -0.0004232800000000, 0.0004138900000000, -0.0002616000000000 ] - [ -0.0003676600000000, -0.0005677600000000, 0.0003108100000000 ] - [ -0.0014447000000000, 0.0003444400000000, -0.0007339100000000 ] - [ 0.0010770500000000, -0.0002637900000000, 0.0006438800000000 ] - [ 0.0001035500000000, -0.0005687300000000, 0.0001898700000000 ] - [ 0.0009714900000000, -0.0014284200000000, -0.0002068500000000 ] - [ 0.0003752400000000, 0.0001712300000000, -0.0001430200000000 ] - [ -0.0004996000000000, 0.0007699400000000, -0.0007275600000000 ] - [ -0.0001889000000000, 0.0003179600000000, -0.0003658900000000 ] - [ -0.0002613500000000, -0.0003038500000000, -0.0005378500000000 ] - [ 0.0002568700000000, -0.0008782600000000, -0.0001288800000000 ] - [ 0.0002658100000000, 0.0001093400000000, 0.0006433800000000 ] - [ 0.0009649300000000, -0.0004037200000000, 0.0011747700000000 ] - [ -0.0514903000000000, 0.0123955500000000, -0.0343997600000000 ] - [ 0.0003051400000000, -0.0001999300000000, 0.0000760500000000 ] - [ -0.0001098800000000, 0.0012039800000000, -0.0014049800000000 ] - [ 0.0000969300000000, 0.0003210500000000, 0.0002568100000000 ] - [ 0.0001896700000000, 0.0003350000000000, -0.0014149800000000 ] - [ 0.0001786500000000, -0.0004704700000000, -0.0000819900000000 ] - [ 0.0031846100000000, -0.0004625800000000, 0.0020762100000000 ] - [ 0.0005797200000000, 0.0004668700000000, -0.0001067700000000 ] - [ -0.0522823700000000, 0.0327974900000000, -0.0140515800000000 ] - [ 0.0003479400000000, 0.0000466300000000, 0.0000329200000000 ] - [ -0.0002896500000000, -0.0000646400000000, -0.0000850200000000 ] - [ -0.0001631200000000, -0.0001863400000000, 0.0007638900000000 ] - [ 0.0001065500000000, -0.0007079200000000, -0.0003085800000000 ] - [ -0.0002139800000000, -0.0000879800000000, 0.0001661600000000 ] - [ -0.0000687000000000, 0.0011927000000000, 0.0011938600000000 ] - [ 0.0002516100000000, -0.0003186600000000, -0.0000190200000000 ] - [ -0.0004832600000000, 0.0005751200000000, -0.0003126100000000 ] - [ -0.0001112100000000, -0.0004920300000000, -0.0000785400000000 ] - [ 0.0003495500000000, -0.0003000000000000, -0.0000839800000000 ] - [ -0.0003291900000000, 0.0001996400000000, -0.0002538000000000 ] - [ 0.0036531600000000, 0.0006265600000000, -0.0009950600000000 ] - [ 0.0001598400000000, -0.0004777200000000, -0.0000849300000000 ] - [ 0.0017350000000000, 0.0020147400000000, 0.0019210100000000 ] - [ 0.0001003700000000, 0.0001246100000000, -0.0001077400000000 ] - [ -0.0003157400000000, -0.0008188200000000, -0.0003176100000000 ] - [ 0.0009523500000000, -0.0039489500000000, 0.0009190000000000 ] - [ -0.0054628400000000, 0.0014821200000000, -0.0015924400000000 ] - [ -0.0005690300000000, 0.0001289600000000, 0.0001793600000000 ] - [ 0.0009500900000000, 0.0000154800000000, -0.0004014000000000 ] - [ 0.0002598500000000, -0.0005028100000000, -0.0002137500000000 ] - [ -0.0010547100000000, -0.0025673900000000, -0.0040199100000000 ] - [ -0.0001074600000000, -0.0002392200000000, -0.0003838500000000 ] - [ 0.0004140400000000, 0.0005535200000000, 0.0007944100000000 ] - [ 0.0001555100000000, 0.0000421400000000, 0.0001111700000000 ] - [ 0.0008494000000000, -0.0000663800000000, 0.0005466400000000 ] - [ -0.0001817500000000, -0.0002231900000000, 0.0001264600000000 ] - [ 0.0009903400000000, 0.0012522200000000, -0.0010359700000000 ] - [ 0.0000288400000000, -0.0004314100000000, 0.0001328500000000 ] - [ -0.0468152700000000, 0.0033447900000000, -0.0099971800000000 ] - [ 0.0001599200000000, -0.0010551300000000, 0.0001166200000000 ] - [ -0.0002624000000000, -0.0001581800000000, -0.0008457000000000 ] - [ -0.0005760900000000, -0.0006113000000000, 0.0000427800000000 ] - [ -0.0000308200000000, -0.0000245900000000, 0.0000426400000000 ] - [ 0.0000246900000000, -0.0005500500000000, -0.0002685000000000 ] - [ 0.0005167800000000, -0.0003231200000000, 0.0006450800000000 ] - [ 0.0000821800000000, -0.0003858600000000, 0.0004521100000000 ] - [ -0.0003939700000000, -0.0004900800000000, -0.0000561200000000 ] - [ -0.0004024500000000, -0.0006525600000000, -0.0004234500000000 ] - [ 0.0007405600000000, -0.0010426400000000, 0.0033308000000000 ] - [ 0.0000264800000000, -0.0000567800000000, 0.0002386600000000 ] - [ -0.0000770600000000, -0.0005301500000000, 0.0001458700000000 ] - [ 0.0004185200000000, -0.0001201000000000, -0.0000990800000000 ] - [ 0.0011219800000000, -0.0005063600000000, 0.0005317600000000 ] - [ -0.0004269700000000, -0.0008635700000000, 0.0002037900000000 ] - [ 0.0060705600000000, -0.0015609600000000, -0.0003399000000000 ] - [ -0.0001693600000000, 0.0001144700000000, -0.0005310400000000 ] - [ -0.0000788300000000, -0.0003936000000000, -0.0002401100000000 ] - [ -0.0002367300000000, 0.0003751000000000, -0.0009691800000000 ] - [ -0.0000134700000000, -0.0000882800000000, 0.0004721100000000 ] - [ 0.0000741100000000, 0.0001996300000000, 0.0001015200000000 ] - [ 0.0000034800000000, -0.0001086600000000, 0.0001858700000000 ] - [ 0.0014239500000000, -0.0000147800000000, -0.0000347200000000 ] - [ 0.0002783900000000, 0.0014438100000000, 0.0018185900000000 ] - [ -0.0005639900000000, 0.0004014600000000, 0.0000586000000000 ] - [ 0.0005032900000000, -0.0008955400000000, -0.0002642400000000 ] - [ 0.0010345400000000, 0.0006300000000000, -0.0001766100000000 ] - [ 0.0019126200000000, -0.0005435300000000, -0.0016920400000000 ] - [ 0.0001171400000000, -0.0000634000000000, -0.0001337100000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0049079400000000, -0.0071596700000000, 0.0033273400000000 ] - [ 0.0006117800000000, 0.0029928800000000, -0.0001089900000000 ] - [ 0.0099405500000000, -0.0077185200000000, 0.0104028000000000 ] - [ -0.0004710700000000, 0.0043098400000000, -0.0001135700000000 ] - [ -0.0006458900000000, 0.0060011800000000, -0.0008885300000000 ] - [ 0.0100048500000000, 0.0158157900000000, 0.0090294300000000 ] - [ -0.0009560500000000, 0.0006577800000000, 0.0009186300000000 ] - [ -0.0004702000000000, 0.0020241500000000, -0.0002064800000000 ] - [ 0.0665761600000000, -0.5784776100000000, 0.0140659400000000 ] - [ -0.0004010100000000, 0.0056012100000000, -0.0004309900000000 ] - [ 0.0012399100000000, 0.0090314000000000, 0.0020356800000000 ] - [ -0.0002865900000000, 0.0090509500000000, -0.0065124200000000 ] - [ 0.0012206200000000, -0.0057389900000000, 0.0014483800000000 ] - [ -0.0004698200000000, 0.0022426200000000, -0.0015253600000000 ] - [ -0.0292855700000000, 0.0382979000000000, -0.0344191600000000 ] - [ 0.0001209600000000, 0.0052610600000000, -0.0006302300000000 ] - [ 0.0002289100000000, -0.0076835400000000, -0.0007217300000000 ] - [ -0.0000953800000000, 0.0038932600000000, 0.0002657100000000 ] - [ -0.0092914300000000, -0.0052149100000000, -0.0012210700000000 ] - [ 0.0005856300000000, 0.0023161400000000, 0.0008543500000000 ] - [ 0.0006658300000000, 0.0042710800000000, 0.0005595500000000 ] - [ -0.0008890400000000, 0.0024027100000000, -0.0067692300000000 ] - [ -0.0017350400000000, 0.0009603900000000, 0.0010174000000000 ] - [ 0.0011473300000000, 0.0016399600000000, 0.0016222500000000 ] - [ -0.0112282900000000, 0.0432553800000000, 0.0184239900000000 ] - [ 0.0014623300000000, 0.0053612500000000, 0.0008321900000000 ] - [ -0.0035653700000000, -0.0074780000000000, -0.0037770400000000 ] - [ 0.0011215200000000, 0.0027759200000000, 0.0010253300000000 ] - [ -0.0005694800000000, -0.0109828400000000, -0.0010638500000000 ] - [ 0.0006337100000000, 0.0038706400000000, 0.0002639300000000 ] - [ 0.0000442900000000, 0.0023242000000000, -0.0004295600000000 ] - [ -0.0028999100000000, -0.0040548300000000, 0.0023617900000000 ] - [ 0.0002411500000000, 0.0017994700000000, -0.0008015600000000 ] - [ -0.0068318300000000, 0.0042990900000000, -0.0024965200000000 ] - [ -0.0000917500000000, 0.0025200200000000, -0.0009904900000000 ] - [ -0.0005367500000000, 0.0022036800000000, 0.0008729900000000 ] - [ -0.0003433200000000, 0.0024482000000000, 0.0008090100000000 ] - [ 0.0000927100000000, 0.0005814300000000, -0.0005866700000000 ] - [ -0.0003273800000000, -0.0001559200000000, 0.0010089900000000 ] - [ 0.0010033600000000, 0.0022766800000000, 0.0007338600000000 ] - [ -0.0107104900000000, 0.0239249300000000, -0.0327028800000000 ] - [ -0.0002868800000000, 0.0041451100000000, 0.0007446800000000 ] - [ -0.0021291100000000, 0.0036752600000000, -0.0025395900000000 ] - [ -0.0003071900000000, 0.0033602200000000, 0.0003854300000000 ] - [ -0.0011296600000000, -0.0024390900000000, -0.0010298400000000 ] - [ 0.0006586600000000, 0.0022290000000000, 0.0005782500000000 ] - [ -0.0005183200000000, -0.0063773000000000, -0.0000843300000000 ] - [ -0.0001864600000000, 0.0027985500000000, -0.0004597100000000 ] - [ 0.0008745900000000, -0.0057266000000000, -0.0047737800000000 ] - [ 0.0005657300000000, 0.0033091000000000, 0.0005713200000000 ] - [ -0.0006765300000000, 0.0017942400000000, -0.0009037200000000 ] - [ -0.0021306200000000, 0.0022781100000000, -0.0009917300000000 ] - [ 0.0023365300000000, 0.0000463500000000, -0.0012626200000000 ] - [ -0.0007604600000000, 0.0033156900000000, -0.0002889600000000 ] - [ 0.0014352200000000, -0.0083296000000000, 0.0049457600000000 ] - [ -0.0009283600000000, 0.0024806600000000, -0.0012490600000000 ] - [ 0.0000682900000000, -0.0021620300000000, 0.0009394300000000 ] - [ -0.0009760800000000, 0.0016289600000000, -0.0056422400000000 ] - [ -0.0007989200000000, 0.0039562600000000, -0.0018621300000000 ] - [ 0.0001310500000000, -0.0023141700000000, 0.0012970200000000 ] - [ 0.0206014200000000, -0.0064871600000000, 0.0036197800000000 ] - [ 0.0004301500000000, -0.0014217900000000, 0.0003499500000000 ] - [ -0.0003802700000000, 0.0003284300000000, -0.0003298400000000 ] - [ -0.0001569500000000, -0.0016134800000000, -0.0008302200000000 ] - [ 0.0010119600000000, 0.0055900800000000, 0.0008353600000000 ] - [ -0.0002078700000000, -0.0039761800000000, -0.0008136000000000 ] - [ 0.0004617200000000, -0.0011999700000000, 0.0012951600000000 ] - [ 0.0025808500000000, -0.0022628200000000, 0.0029098000000000 ] - [ -0.0119776600000000, 0.0792656400000000, -0.0561205100000000 ] - [ 0.0008539400000000, -0.0030869000000000, 0.0007844100000000 ] - [ 0.0005959000000000, 0.0064021500000000, -0.0018296100000000 ] - [ -0.0001155300000000, -0.0022489800000000, 0.0007744200000000 ] - [ 0.0010670100000000, 0.0064668000000000, 0.0026008100000000 ] - [ -0.0002796800000000, -0.0029040600000000, -0.0007926000000000 ] - [ 0.0023046900000000, -0.0021441900000000, 0.0071538800000000 ] - [ 0.0010928400000000, -0.0013021000000000, 0.0002321200000000 ] - [ -0.0397108700000000, 0.2807662100000000, -0.0391366000000000 ] - [ 0.0008256000000000, -0.0039524400000000, 0.0009593600000000 ] - [ -0.0013669900000000, -0.0039918200000000, -0.0023057400000000 ] - [ 0.0002891500000000, -0.0009969200000000, 0.0031817000000000 ] - [ 0.0007305500000000, -0.0020596200000000, -0.0010123800000000 ] - [ -0.0016185900000000, -0.0016067100000000, -0.0006158400000000 ] - [ -0.0018277800000000, 0.0040433500000000, -0.0036603700000000 ] - [ 0.0007276900000000, -0.0017907200000000, 0.0004997500000000 ] - [ -0.0009134000000000, -0.0009401800000000, 0.0008997400000000 ] - [ 0.0004879900000000, -0.0025221100000000, 0.0000109700000000 ] - [ 0.0012988000000000, -0.0015029900000000, 0.0000273600000000 ] - [ -0.0009166100000000, -0.0017405900000000, -0.0018996000000000 ] - [ 0.0018228200000000, 0.0041631400000000, 0.0013799900000000 ] - [ 0.0001381300000000, -0.0021809400000000, -0.0007836400000000 ] - [ 0.0007214900000000, 0.0052752200000000, 0.0032616800000000 ] - [ 0.0000623600000000, -0.0016632800000000, -0.0013045600000000 ] - [ -0.0007950800000000, -0.0056105900000000, 0.0005492200000000 ] - [ 0.0018638300000000, -0.0140903700000000, 0.0064982000000000 ] - [ 0.0108661200000000, -0.0024003500000000, -0.0022408500000000 ] - [ -0.0016910300000000, -0.0016132200000000, -0.0001559200000000 ] - [ 0.0012748200000000, 0.0005258600000000, -0.0012832900000000 ] - [ -0.0004310100000000, -0.0020083800000000, -0.0005178600000000 ] - [ 0.0031761400000000, -0.0100252700000000, 0.0042963600000000 ] - [ -0.0002719500000000, -0.0030870200000000, -0.0010875800000000 ] - [ 0.0002569500000000, 0.0056006900000000, -0.0021785000000000 ] - [ 0.0001072600000000, -0.0017449400000000, 0.0008514400000000 ] - [ 0.0005094200000000, -0.0003234200000000, -0.0003296500000000 ] - [ -0.0006159800000000, -0.0016881000000000, -0.0003109400000000 ] - [ -0.0011888000000000, 0.0014380600000000, 0.0011172100000000 ] - [ -0.0000239600000000, -0.0022772400000000, -0.0002216400000000 ] - [ -0.0073388300000000, 0.1410301900000000, 0.0919214900000000 ] - [ 0.0003880300000000, -0.0043200600000000, -0.0005246900000000 ] - [ -0.0019541800000000, -0.0084030800000000, -0.0044697500000000 ] - [ -0.0012371000000000, -0.0059871800000000, -0.0000899400000000 ] - [ -0.0013672100000000, 0.0050002300000000, -0.0025880300000000 ] - [ 0.0007210200000000, -0.0022166400000000, 0.0006872100000000 ] - [ 0.0003187200000000, -0.0005742400000000, 0.0000915700000000 ] - [ -0.0008182100000000, -0.0019802700000000, -0.0004747100000000 ] - [ -0.0000994900000000, -0.0031335700000000, 0.0007822500000000 ] - [ 0.0004905200000000, -0.0010256900000000, -0.0011855000000000 ] - [ 0.0052136900000000, -0.0006465800000000, 0.0176219900000000 ] - [ -0.0000989100000000, -0.0024472500000000, 0.0004206800000000 ] - [ -0.0000353700000000, -0.0015236000000000, 0.0005268600000000 ] - [ 0.0003814100000000, -0.0016136700000000, 0.0006688500000000 ] - [ -0.0029828200000000, 0.0008745500000000, -0.0000564100000000 ] - [ 0.0001655100000000, -0.0026258600000000, 0.0008474800000000 ] - [ 0.0060173600000000, 0.0061968000000000, 0.0023329500000000 ] - [ -0.0009679900000000, -0.0016304200000000, -0.0014862300000000 ] - [ 0.0000103900000000, -0.0021394000000000, -0.0000167800000000 ] - [ 0.0003590300000000, 0.0015890300000000, -0.0003254900000000 ] - [ 0.0000884600000000, -0.0012913800000000, 0.0018753300000000 ] - [ 0.0003390000000000, -0.0012079200000000, 0.0009954000000000 ] - [ 0.0002443700000000, -0.0013117300000000, 0.0005311300000000 ] - [ 0.0039219000000000, -0.0003115700000000, -0.0009825000000000 ] - [ 0.0009006700000000, 0.0033359000000000, 0.0050343800000000 ] - [ -0.0012509000000000, -0.0016471400000000, -0.0010825500000000 ] - [ 0.0002150700000000, -0.0025780500000000, -0.0010204400000000 ] - [ -0.0018817200000000, 0.0007076600000000, 0.0029228100000000 ] - [ 0.0038567400000000, 0.0024742400000000, -0.0007290500000000 ] - [ -0.0004422400000000, -0.0014091700000000, -0.0004130100000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0053762900000000, 0.0064550200000000, -0.0032130900000000 ] - [ -0.0001350400000000, -0.0036303500000000, 0.0002119200000000 ] - [ -0.0094295900000000, 0.0083495500000000, -0.0102514900000000 ] - [ 0.0009442000000000, -0.0036401800000000, 0.0002173200000000 ] - [ 0.0001735400000000, -0.0053389700000000, 0.0007856900000000 ] - [ -0.0104001200000000, -0.0150226500000000, -0.0090837700000000 ] - [ 0.0004842300000000, -0.0012990000000000, -0.0010289900000000 ] - [ -0.0000068500000000, -0.0026671400000000, 0.0001015300000000 ] - [ -0.0626850900000000, 0.5633730700000000, -0.0044673600000000 ] - [ 0.0007496700000000, -0.0046970300000000, 0.0001926800000000 ] - [ -0.0015937000000000, -0.0081374000000000, -0.0017969500000000 ] - [ -0.0000653000000000, -0.0081170100000000, 0.0067231400000000 ] - [ -0.0006493200000000, 0.0052028900000000, -0.0019704400000000 ] - [ 0.0010369900000000, -0.0027381900000000, 0.0009916200000000 ] - [ 0.0289739000000000, -0.0363218100000000, 0.0343482900000000 ] - [ -0.0001802300000000, -0.0038913700000000, 0.0007199100000000 ] - [ -0.0004293000000000, 0.0085179800000000, 0.0004955900000000 ] - [ -0.0001049500000000, -0.0029900800000000, -0.0004755100000000 ] - [ 0.0084771600000000, 0.0050132000000000, 0.0010157800000000 ] - [ -0.0013858000000000, -0.0025219700000000, -0.0010747600000000 ] - [ -0.0009144800000000, -0.0040356700000000, -0.0007426400000000 ] - [ 0.0006388600000000, -0.0021468100000000, 0.0065318500000000 ] - [ 0.0011643100000000, -0.0014561200000000, -0.0004809100000000 ] - [ -0.0017098100000000, -0.0021380800000000, -0.0010892000000000 ] - [ 0.0114655700000000, -0.0422941600000000, -0.0189087300000000 ] - [ -0.0014003500000000, -0.0039878100000000, -0.0009237500000000 ] - [ 0.0040941300000000, 0.0079417000000000, 0.0032283000000000 ] - [ -0.0005471700000000, -0.0022591100000000, -0.0015491200000000 ] - [ 0.0009207500000000, 0.0100497900000000, 0.0008144300000000 ] - [ -0.0002805700000000, -0.0047342600000000, -0.0004990800000000 ] - [ 0.0000113100000000, -0.0036640800000000, 0.0003359700000000 ] - [ 0.0029273400000000, 0.0026707300000000, -0.0024362100000000 ] - [ 0.0005606100000000, -0.0020065800000000, 0.0010216100000000 ] - [ 0.0075883100000000, -0.0044892200000000, 0.0027025400000000 ] - [ -0.0002602000000000, -0.0033857800000000, 0.0012300300000000 ] - [ 0.0001847200000000, -0.0030754100000000, -0.0006316700000000 ] - [ 0.0005442700000000, -0.0033214800000000, -0.0005967300000000 ] - [ 0.0001083500000000, -0.0014689500000000, 0.0007932000000000 ] - [ 0.0011254200000000, 0.0003762900000000, -0.0007778800000000 ] - [ -0.0001950400000000, -0.0020505100000000, -0.0005068600000000 ] - [ 0.0110900900000000, -0.0236082900000000, 0.0332588700000000 ] - [ 0.0005363400000000, -0.0039090300000000, -0.0005567900000000 ] - [ 0.0023045800000000, -0.0027500700000000, 0.0027367900000000 ] - [ 0.0005045500000000, -0.0024582000000000, -0.0001708300000000 ] - [ 0.0010737300000000, 0.0010867200000000, 0.0011165200000000 ] - [ -0.0007116800000000, -0.0035711200000000, -0.0004834600000000 ] - [ 0.0003143800000000, 0.0054729200000000, -0.0001244700000000 ] - [ -0.0000143400000000, -0.0036728700000000, 0.0002472000000000 ] - [ -0.0006259200000000, 0.0054676300000000, 0.0049354700000000 ] - [ -0.0003125100000000, -0.0035118500000000, -0.0003863900000000 ] - [ 0.0001027900000000, -0.0012762500000000, 0.0014222600000000 ] - [ 0.0015515600000000, -0.0017641700000000, 0.0015162700000000 ] - [ -0.0025863300000000, -0.0002476800000000, 0.0010811700000000 ] - [ 0.0005068900000000, -0.0035195000000000, 0.0001037700000000 ] - [ -0.0022247000000000, 0.0084718900000000, -0.0051433300000000 ] - [ 0.0001217000000000, -0.0022537900000000, 0.0010202500000000 ] - [ -0.0006824600000000, 0.0014700400000000, -0.0004805600000000 ] - [ 0.0003533900000000, -0.0022974600000000, 0.0060460400000000 ] - [ 0.0009301700000000, -0.0046311900000000, 0.0019241000000000 ] - [ 0.0000046600000000, 0.0016117300000000, -0.0012208900000000 ] - [ -0.0198448600000000, 0.0071061500000000, -0.0040496700000000 ] - [ 0.0001882000000000, 0.0020976000000000, -0.0008032100000000 ] - [ 0.0000656000000000, 0.0008592300000000, -0.0001441000000000 ] - [ -0.0001560700000000, 0.0027985400000000, 0.0003571000000000 ] - [ -0.0003581300000000, -0.0065882800000000, -0.0008901300000000 ] - [ 0.0008597100000000, 0.0029385000000000, 0.0007460500000000 ] - [ -0.0003442100000000, 0.0018338300000000, -0.0004519400000000 ] - [ -0.0024549300000000, 0.0028949400000000, -0.0020615900000000 ] - [ 0.0125958100000000, -0.0785929100000000, 0.0572757100000000 ] - [ -0.0003393000000000, 0.0033788800000000, -0.0007165100000000 ] - [ -0.0002828500000000, -0.0051684300000000, 0.0022945300000000 ] - [ 0.0004275000000000, 0.0034319800000000, -0.0003014800000000 ] - [ -0.0005485300000000, -0.0067401300000000, -0.0025236700000000 ] - [ 0.0007891700000000, 0.0025846600000000, 0.0008536000000000 ] - [ -0.0011305200000000, 0.0032556200000000, -0.0072625900000000 ] - [ 0.0000342100000000, 0.0025196300000000, -0.0004184100000000 ] - [ 0.0367355900000000, -0.2600353900000000, 0.0349475600000000 ] - [ -0.0001683200000000, 0.0049575400000000, -0.0010185400000000 ] - [ 0.0008523400000000, 0.0042846500000000, 0.0022363500000000 ] - [ -0.0007992500000000, 0.0012907300000000, -0.0032356300000000 ] - [ -0.0008651900000000, 0.0013571100000000, 0.0009344200000000 ] - [ 0.0014736800000000, 0.0009085200000000, 0.0005441800000000 ] - [ 0.0021863000000000, -0.0041563000000000, 0.0034111700000000 ] - [ -0.0003567400000000, 0.0016375800000000, -0.0007256000000000 ] - [ 0.0004041900000000, 0.0006252300000000, -0.0009629800000000 ] - [ -0.0009964500000000, 0.0022048400000000, -0.0000768800000000 ] - [ -0.0015559100000000, 0.0020445200000000, -0.0000284800000000 ] - [ 0.0006496600000000, 0.0022848100000000, 0.0018974100000000 ] - [ -0.0015488000000000, -0.0046964400000000, -0.0013856500000000 ] - [ 0.0001231100000000, 0.0016166800000000, 0.0007716300000000 ] - [ -0.0005806200000000, -0.0045510200000000, -0.0031668800000000 ] - [ 0.0000717500000000, 0.0023484300000000, 0.0013711900000000 ] - [ 0.0004817200000000, 0.0043968800000000, -0.0010138100000000 ] - [ -0.0021775100000000, 0.0129275000000000, -0.0069864200000000 ] - [ -0.0114632300000000, 0.0030697900000000, 0.0027085000000000 ] - [ 0.0010680100000000, 0.0022886900000000, 0.0006120500000000 ] - [ -0.0006535700000000, -0.0012080000000000, 0.0008216700000000 ] - [ 0.0010435800000000, 0.0013167700000000, 0.0000595500000000 ] - [ -0.0032474900000000, 0.0102828700000000, -0.0047768700000000 ] - [ 0.0002208500000000, 0.0034273400000000, 0.0006759900000000 ] - [ 0.0000100800000000, -0.0050171900000000, 0.0021621000000000 ] - [ 0.0001546200000000, 0.0022903600000000, -0.0008564300000000 ] - [ -0.0008672400000000, 0.0001730900000000, 0.0005567900000000 ] - [ 0.0002427700000000, 0.0015345900000000, 0.0005361900000000 ] - [ 0.0012290100000000, -0.0018003600000000, -0.0007074700000000 ] - [ 0.0000737600000000, 0.0019116700000000, 0.0006272800000000 ] - [ 0.0073000000000000, -0.1463829100000000, -0.0982374700000000 ] - [ -0.0000735800000000, 0.0031072000000000, 0.0009923300000000 ] - [ 0.0012829600000000, 0.0093478900000000, 0.0045309600000000 ] - [ 0.0005802500000000, 0.0069874100000000, 0.0001497100000000 ] - [ 0.0012476600000000, -0.0056093100000000, 0.0017450200000000 ] - [ -0.0008305200000000, 0.0015648200000000, -0.0015195600000000 ] - [ -0.0002037300000000, -0.0000759400000000, 0.0007395800000000 ] - [ 0.0009267500000000, 0.0013290800000000, 0.0013073900000000 ] - [ -0.0005536700000000, 0.0020980500000000, -0.0007170800000000 ] - [ -0.0011385700000000, 0.0000051300000000, 0.0012400800000000 ] - [ -0.0051054200000000, 0.0009394800000000, -0.0170515200000000 ] - [ 0.0001489900000000, 0.0027928900000000, -0.0000093800000000 ] - [ -0.0002270200000000, 0.0009603400000000, -0.0005128200000000 ] - [ -0.0006400100000000, 0.0010543400000000, -0.0006576700000000 ] - [ 0.0018526500000000, -0.0021016700000000, 0.0002415900000000 ] - [ -0.0012871600000000, 0.0013905600000000, -0.0006561600000000 ] - [ -0.0060905100000000, -0.0055594500000000, -0.0031700300000000 ] - [ 0.0008501900000000, 0.0022649500000000, 0.0006455800000000 ] - [ -0.0000602500000000, 0.0017732900000000, -0.0003906600000000 ] - [ -0.0004048600000000, -0.0019312900000000, -0.0000885200000000 ] - [ -0.0002212600000000, 0.0019691900000000, -0.0019293200000000 ] - [ -0.0004714300000000, 0.0018952500000000, -0.0010634700000000 ] - [ -0.0006097300000000, 0.0014491300000000, -0.0003005500000000 ] - [ -0.0042705700000000, 0.0004584700000000, 0.0012055900000000 ] - [ -0.0020164400000000, -0.0020941800000000, -0.0048095200000000 ] - [ 0.0001232900000000, 0.0028634500000000, 0.0012659100000000 ] - [ 0.0009072300000000, 0.0013428000000000, 0.0008293700000000 ] - [ 0.0029934900000000, -0.0019212200000000, -0.0030899100000000 ] - [ -0.0034737600000000, -0.0023237800000000, 0.0004919900000000 ] - [ 0.0008096200000000, 0.0015482300000000, 0.0001842500000000 ]- atom: 9 displacement: [ -0.0045139598196510, 0.0000000000000000, 0.0089232374588249 ] forces: - [ -0.0032734500000000, 0.0015774900000000, -0.0007248100000000 ] - [ 0.0001842300000000, -0.0005024200000000, 0.0000082000000000 ] - [ 0.0106992100000000, 0.0025060100000000, 0.0123690000000000 ] - [ 0.0003458100000000, 0.0002434200000000, 0.0001277900000000 ] - [ -0.0004355100000000, -0.0010609400000000, -0.0010397500000000 ] - [ -0.0009702100000000, 0.0006560800000000, -0.0032085800000000 ] - [ -0.0028723200000000, -0.0004042600000000, 0.0038482500000000 ] - [ -0.0002997500000000, -0.0003280700000000, 0.0002081900000000 ] - [ 0.0131047100000000, -0.0142270900000000, -0.4269943400000000 ] - [ 0.0001490500000000, 0.0004184200000000, -0.0002439600000000 ] - [ 0.0010839800000000, 0.0062969200000000, 0.0002020800000000 ] - [ -0.0000004500000000, -0.0006404600000000, -0.0003263000000000 ] - [ 0.0032836400000000, -0.0013887200000000, 0.0032836700000000 ] - [ 0.0004770100000000, -0.0004164400000000, -0.0001712900000000 ] - [ 0.0008737000000000, -0.0088005200000000, 0.0043613000000000 ] - [ 0.0004142600000000, 0.0015314600000000, -0.0001753000000000 ] - [ 0.0037033800000000, 0.0004816000000000, 0.0013516900000000 ] - [ 0.0003108600000000, 0.0003921000000000, 0.0000953500000000 ] - [ -0.0077114200000000, -0.0004922700000000, -0.0015611700000000 ] - [ -0.0004974100000000, -0.0002295300000000, -0.0001614300000000 ] - [ 0.0003194100000000, 0.0013504100000000, 0.0004487900000000 ] - [ 0.0004317100000000, -0.0017952400000000, 0.0039404900000000 ] - [ 0.0013622500000000, -0.0004368500000000, -0.0010343300000000 ] - [ -0.0000629000000000, -0.0003168900000000, -0.0001073300000000 ] - [ -0.0138696300000000, 0.0390279800000000, -0.0106257600000000 ] - [ -0.0001574000000000, 0.0004179500000000, -0.0002644500000000 ] - [ -0.0012904700000000, -0.0014590400000000, -0.0021562600000000 ] - [ 0.0002406800000000, 0.0001485700000000, -0.0003139700000000 ] - [ -0.0009847200000000, 0.0000585800000000, 0.0077502500000000 ] - [ 0.0001405000000000, -0.0005796100000000, -0.0000226200000000 ] - [ -0.0001546300000000, -0.0010340700000000, 0.0003474200000000 ] - [ -0.0017225400000000, 0.0017983500000000, 0.0021312100000000 ] - [ 0.0007057200000000, -0.0003361000000000, 0.0001566400000000 ] - [ 0.0008909600000000, -0.0006865300000000, 0.0002994600000000 ] - [ -0.0005511500000000, -0.0014771700000000, 0.0001015900000000 ] - [ -0.0003810200000000, 0.0003971100000000, -0.0001503300000000 ] - [ 0.0001520800000000, -0.0006881000000000, -0.0002529900000000 ] - [ -0.0005659000000000, -0.0013313300000000, -0.0004173000000000 ] - [ 0.0020432500000000, 0.0007589200000000, 0.0007286800000000 ] - [ 0.0004177100000000, -0.0000077200000000, 0.0002123400000000 ] - [ 0.0131189000000000, -0.0510456000000000, 0.0080497600000000 ] - [ 0.0001168400000000, 0.0000418200000000, -0.0000626000000000 ] - [ 0.0076070600000000, -0.0060302800000000, 0.0042980000000000 ] - [ 0.0002327500000000, 0.0005877400000000, 0.0002343100000000 ] - [ -0.0025005100000000, -0.0013996100000000, 0.0033132600000000 ] - [ -0.0001705900000000, -0.0006116900000000, 0.0000576000000000 ] - [ -0.0007266800000000, -0.0006690800000000, -0.0004426700000000 ] - [ -0.0001044200000000, -0.0005395200000000, -0.0001071100000000 ] - [ -0.0013022400000000, -0.0028366400000000, 0.0019860500000000 ] - [ -0.0000125700000000, -0.0001711400000000, 0.0001221500000000 ] - [ -0.0001883600000000, -0.0006674800000000, 0.0021431400000000 ] - [ -0.0001360900000000, 0.0000971500000000, 0.0008514300000000 ] - [ -0.0010802600000000, -0.0016326900000000, -0.0047857500000000 ] - [ -0.0001479300000000, -0.0000700400000000, -0.0001792900000000 ] - [ 0.0012352100000000, 0.0051468100000000, 0.0046206300000000 ] - [ -0.0002529800000000, -0.0002860800000000, 0.0000581400000000 ] - [ -0.0002823000000000, 0.0000568000000000, 0.0000893700000000 ] - [ 0.0006412100000000, -0.0027324900000000, -0.0003917000000000 ] - [ -0.0016343900000000, 0.0006139700000000, -0.0014460100000000 ] - [ 0.0000190700000000, -0.0002729300000000, -0.0000300900000000 ] - [ -0.0033091100000000, 0.0010846500000000, -0.0002159800000000 ] - [ -0.0001737800000000, 0.0003425500000000, -0.0001356000000000 ] - [ 0.0005903300000000, 0.0011037000000000, -0.0007919600000000 ] - [ -0.0000780400000000, 0.0003187700000000, -0.0003560000000000 ] - [ 0.0018817100000000, -0.0010200300000000, -0.0027845200000000 ] - [ 0.0003570500000000, -0.0004375100000000, -0.0000504000000000 ] - [ -0.0004619000000000, 0.0007358200000000, -0.0001164900000000 ] - [ -0.0002770900000000, 0.0005897800000000, 0.0001274100000000 ] - [ 0.0067708900000000, -0.0480808600000000, 0.2058475000000000 ] - [ 0.0002740400000000, 0.0001888200000000, 0.0001262800000000 ] - [ 0.0016662500000000, 0.0000084100000000, -0.0035521000000000 ] - [ 0.0002312900000000, 0.0008056600000000, 0.0001336700000000 ] - [ 0.0019420100000000, 0.0004035000000000, -0.0041675700000000 ] - [ 0.0002987300000000, -0.0000640300000000, 0.0000043300000000 ] - [ -0.0046329500000000, 0.0140609300000000, -0.0130043100000000 ] - [ 0.0005433500000000, 0.0005921900000000, -0.0000476300000000 ] - [ -0.0101921200000000, -0.0122604200000000, 0.0441964000000000 ] - [ 0.0004358900000000, 0.0003252900000000, 0.0002323100000000 ] - [ -0.0010933100000000, -0.0020619100000000, -0.0016165700000000 ] - [ -0.0001491800000000, 0.0013473400000000, -0.0004556100000000 ] - [ -0.0003362300000000, -0.0000257900000000, 0.0009278700000000 ] - [ -0.0000647800000000, -0.0001212100000000, 0.0004369900000000 ] - [ -0.0027282300000000, -0.0018497600000000, -0.0012997600000000 ] - [ -0.0000464300000000, 0.0002099100000000, -0.0002214200000000 ] - [ -0.0001006000000000, 0.0003505600000000, 0.0004876300000000 ] - [ -0.0002036900000000, -0.0003331100000000, 0.0002265900000000 ] - [ -0.0022693900000000, 0.0020704200000000, 0.0009102500000000 ] - [ -0.0003122600000000, 0.0000569500000000, 0.0002941100000000 ] - [ 0.0007661800000000, 0.0001634600000000, 0.0004785100000000 ] - [ 0.0001392000000000, -0.0002071700000000, 0.0000315100000000 ] - [ -0.0002485400000000, 0.0009397700000000, 0.0010071100000000 ] - [ 0.0000293500000000, 0.0003940200000000, 0.0000159500000000 ] - [ -0.0001864000000000, -0.0027967000000000, 0.0011273100000000 ] - [ 0.0010024700000000, -0.0008202600000000, -0.0004173900000000 ] - [ 0.0072375900000000, -0.0047693400000000, 0.0002916200000000 ] - [ -0.0001692500000000, 0.0004510900000000, 0.0002484100000000 ] - [ 0.0009211500000000, -0.0011761800000000, -0.0024694200000000 ] - [ 0.0003970500000000, -0.0002992900000000, -0.0002796000000000 ] - [ 0.0009682000000000, 0.0102493500000000, 0.0225301300000000 ] - [ 0.0000032800000000, 0.0002889000000000, -0.0000142400000000 ] - [ -0.0019647300000000, 0.0009862200000000, -0.0020287400000000 ] - [ -0.0000023400000000, 0.0003339400000000, -0.0000803400000000 ] - [ -0.0041646000000000, -0.0007267400000000, -0.0019923100000000 ] - [ -0.0002744400000000, -0.0000355800000000, 0.0000488500000000 ] - [ 0.0028858800000000, 0.0020305200000000, 0.0002547800000000 ] - [ 0.0000508600000000, -0.0001692300000000, 0.0002275200000000 ] - [ -0.0131202100000000, 0.0874999700000000, 0.1565627300000000 ] - [ 0.0001759600000000, -0.0004960800000000, 0.0003130700000000 ] - [ -0.0006185300000000, -0.0126942200000000, -0.0034057400000000 ] - [ -0.0003112400000000, 0.0010423500000000, 0.0002216800000000 ] - [ -0.0014089200000000, -0.0002777100000000, -0.0030264100000000 ] - [ -0.0001718600000000, -0.0001211500000000, -0.0005859200000000 ] - [ -0.0004597700000000, -0.0007438200000000, 0.0002118000000000 ] - [ 0.0000259300000000, -0.0002782100000000, 0.0004283800000000 ] - [ -0.0002784000000000, 0.0000176600000000, -0.0000867900000000 ] - [ 0.0002583300000000, -0.0015994200000000, 0.0003433600000000 ] - [ -0.0011201000000000, 0.0038696900000000, -0.0020324200000000 ] - [ -0.0000968700000000, -0.0002588600000000, 0.0002737700000000 ] - [ 0.0003838500000000, -0.0002265300000000, -0.0006373700000000 ] - [ 0.0000453500000000, 0.0000833900000000, -0.0002360000000000 ] - [ -0.0012219700000000, -0.0012024800000000, 0.0022031400000000 ] - [ -0.0005706900000000, -0.0005887100000000, 0.0001501600000000 ] - [ 0.0011288200000000, 0.0007127100000000, 0.0047210500000000 ] - [ -0.0000177400000000, 0.0003974500000000, -0.0003594000000000 ] - [ 0.0001419400000000, -0.0001298100000000, -0.0004683000000000 ] - [ 0.0002314100000000, 0.0003217300000000, -0.0024140300000000 ] - [ -0.0003326200000000, 0.0026329700000000, -0.0034689400000000 ] - [ -0.0001726700000000, 0.0003432200000000, -0.0003862100000000 ] - [ -0.0003487300000000, 0.0002358400000000, 0.0001913400000000 ] - [ -0.0002671500000000, 0.0001368700000000, 0.0005091600000000 ] - [ -0.0017913400000000, 0.0000832600000000, -0.0019960200000000 ] - [ -0.0008681100000000, 0.0003011200000000, -0.0005193700000000 ] - [ 0.0006888900000000, -0.0004849400000000, 0.0000192400000000 ] - [ 0.0015973800000000, 0.0004539100000000, -0.0001847000000000 ] - [ 0.0023465900000000, 0.0006606400000000, -0.0007299000000000 ] - [ 0.0002340900000000, 0.0001307600000000, -0.0001252100000000 ]- atom: 9 displacement: [ 0.0045139598196510, 0.0000000000000000, -0.0089232374588249 ] forces: - [ 0.0037325600000000, -0.0022032400000000, 0.0007980000000000 ] - [ 0.0002870400000000, -0.0001578400000000, 0.0000951500000000 ] - [ -0.0102554700000000, -0.0018695200000000, -0.0122372700000000 ] - [ 0.0001294700000000, 0.0004021500000000, -0.0000219300000000 ] - [ -0.0000385000000000, 0.0016979300000000, 0.0009350500000000 ] - [ 0.0004619100000000, -0.0000542400000000, 0.0030512300000000 ] - [ 0.0024073600000000, -0.0002666000000000, -0.0039533600000000 ] - [ -0.0001721100000000, -0.0003228100000000, -0.0003094700000000 ] - [ -0.0148268500000000, 0.0275619000000000, 0.4219423500000000 ] - [ 0.0002046400000000, 0.0004568200000000, 0.0000113300000000 ] - [ -0.0014356200000000, -0.0054106400000000, 0.0000278200000000 ] - [ -0.0003509200000000, 0.0015027000000000, 0.0005968200000000 ] - [ -0.0026975600000000, 0.0008766900000000, -0.0038025100000000 ] - [ 0.0000914900000000, -0.0000946200000000, -0.0003514300000000 ] - [ -0.0009452100000000, 0.0100874900000000, -0.0040403300000000 ] - [ -0.0004720900000000, -0.0001834500000000, 0.0002679400000000 ] - [ -0.0039042800000000, 0.0004180800000000, -0.0015570000000000 ] - [ -0.0005065600000000, 0.0004893900000000, -0.0003088600000000 ] - [ 0.0069428400000000, 0.0002606200000000, 0.0013396000000000 ] - [ -0.0003086100000000, 0.0000092500000000, -0.0000580000000000 ] - [ -0.0005730500000000, -0.0011352900000000, -0.0006387900000000 ] - [ -0.0006819600000000, 0.0020193400000000, -0.0041172600000000 ] - [ -0.0019286400000000, -0.0000748500000000, 0.0015598000000000 ] - [ -0.0005095300000000, -0.0001928300000000, 0.0006298500000000 ] - [ 0.0138489700000000, -0.0377773500000000, 0.0104208700000000 ] - [ 0.0002096600000000, 0.0009197000000000, 0.0001685600000000 ] - [ 0.0018817400000000, 0.0020034700000000, 0.0016494200000000 ] - [ 0.0003244100000000, 0.0003528100000000, -0.0002130400000000 ] - [ 0.0013318700000000, -0.0009465000000000, -0.0079844700000000 ] - [ 0.0002116200000000, -0.0003128300000000, -0.0002101400000000 ] - [ 0.0002160600000000, -0.0003245000000000, -0.0004376300000000 ] - [ 0.0017878000000000, -0.0031022800000000, -0.0022304300000000 ] - [ 0.0000984900000000, 0.0001161400000000, 0.0000632800000000 ] - [ -0.0000531900000000, 0.0004491900000000, -0.0000684600000000 ] - [ 0.0001987300000000, 0.0005785900000000, 0.0001289400000000 ] - [ 0.0000268500000000, -0.0012719100000000, 0.0003761000000000 ] - [ 0.0000470300000000, -0.0002071400000000, 0.0004650400000000 ] - [ 0.0007738000000000, 0.0004530000000000, 0.0006443200000000 ] - [ -0.0012484900000000, -0.0005467400000000, -0.0005061900000000 ] - [ 0.0003817100000000, 0.0002185800000000, 0.0000061300000000 ] - [ -0.0126879100000000, 0.0511591800000000, -0.0076302700000000 ] - [ 0.0001377800000000, 0.0001652500000000, 0.0002490800000000 ] - [ -0.0074106500000000, 0.0069012400000000, -0.0040719200000000 ] - [ -0.0000324700000000, 0.0002949700000000, -0.0000241900000000 ] - [ 0.0024180500000000, 0.0000263900000000, -0.0032174000000000 ] - [ 0.0001076700000000, -0.0007417300000000, 0.0000338300000000 ] - [ 0.0005538800000000, -0.0002093800000000, 0.0002254200000000 ] - [ -0.0000920400000000, -0.0003529500000000, -0.0001057200000000 ] - [ 0.0015729600000000, 0.0026792700000000, -0.0017661600000000 ] - [ 0.0002653400000000, -0.0000512600000000, 0.0000680900000000 ] - [ -0.0003728000000000, 0.0011688500000000, -0.0016157600000000 ] - [ -0.0004191200000000, 0.0004036900000000, -0.0003229200000000 ] - [ 0.0008296300000000, 0.0014046100000000, 0.0045590500000000 ] - [ -0.0001051500000000, -0.0001511100000000, -0.0000130000000000 ] - [ -0.0020053500000000, -0.0049099800000000, -0.0048429200000000 ] - [ -0.0005458500000000, 0.0004961700000000, -0.0002754100000000 ] - [ -0.0003359900000000, -0.0007300800000000, 0.0003591000000000 ] - [ -0.0012732400000000, 0.0020357700000000, 0.0008523300000000 ] - [ 0.0017700200000000, -0.0013134900000000, 0.0015168300000000 ] - [ 0.0001276700000000, -0.0004200600000000, 0.0001005900000000 ] - [ 0.0038197900000000, -0.0003633200000000, -0.0002476200000000 ] - [ 0.0007865000000000, 0.0003380500000000, -0.0003139300000000 ] - [ -0.0008967500000000, 0.0001039400000000, 0.0003299100000000 ] - [ -0.0002288700000000, 0.0008709700000000, -0.0001076400000000 ] - [ -0.0012145800000000, 0.0000113500000000, 0.0027264700000000 ] - [ 0.0003007600000000, -0.0005792000000000, -0.0000105000000000 ] - [ 0.0005866300000000, -0.0000902100000000, 0.0009455100000000 ] - [ 0.0003938100000000, 0.0000620800000000, 0.0006923400000000 ] - [ -0.0030178600000000, 0.0439365200000000, -0.1961844000000000 ] - [ 0.0002335000000000, 0.0001220200000000, -0.0000649300000000 ] - [ -0.0013400000000000, 0.0011549500000000, 0.0040101700000000 ] - [ 0.0000793300000000, 0.0003961900000000, 0.0003310600000000 ] - [ -0.0014606300000000, -0.0007390900000000, 0.0042394900000000 ] - [ 0.0002109000000000, -0.0002354900000000, 0.0000582600000000 ] - [ 0.0057574900000000, -0.0128935400000000, 0.0128528500000000 ] - [ 0.0005690000000000, 0.0006427500000000, -0.0001395300000000 ] - [ 0.0111067900000000, 0.0116791000000000, -0.0439212200000000 ] - [ 0.0002207500000000, 0.0007029100000000, -0.0002936500000000 ] - [ 0.0005823300000000, 0.0023621400000000, 0.0015487800000000 ] - [ -0.0003630200000000, -0.0010477900000000, 0.0003748700000000 ] - [ 0.0001858900000000, -0.0006651600000000, -0.0009987500000000 ] - [ -0.0000759500000000, -0.0005752300000000, -0.0005130000000000 ] - [ 0.0030920500000000, 0.0017019100000000, 0.0010787100000000 ] - [ 0.0004095600000000, -0.0003453400000000, -0.0000180500000000 ] - [ -0.0004082000000000, -0.0006476200000000, -0.0005451300000000 ] - [ -0.0003055300000000, 0.0000285600000000, -0.0002835800000000 ] - [ 0.0019989100000000, -0.0015193900000000, -0.0009069000000000 ] - [ 0.0000467600000000, 0.0004956000000000, -0.0002783900000000 ] - [ -0.0005112100000000, -0.0007193800000000, -0.0004818900000000 ] - [ 0.0001303300000000, -0.0003371600000000, -0.0000377400000000 ] - [ 0.0003956200000000, -0.0002576800000000, -0.0009476800000000 ] - [ 0.0001198100000000, 0.0003050500000000, 0.0000576000000000 ] - [ -0.0001235600000000, 0.0015941600000000, -0.0015866600000000 ] - [ -0.0013239300000000, -0.0002656400000000, -0.0001162100000000 ] - [ -0.0078669200000000, 0.0054693800000000, 0.0001592300000000 ] - [ -0.0004406800000000, 0.0002306100000000, 0.0002016200000000 ] - [ -0.0002868500000000, 0.0005022000000000, 0.0020123700000000 ] - [ 0.0002229100000000, -0.0003766600000000, -0.0001714400000000 ] - [ -0.0010442800000000, -0.0097524800000000, -0.0229457000000000 ] - [ -0.0000557100000000, 0.0000752400000000, -0.0003876200000000 ] - [ 0.0022272500000000, -0.0004402500000000, 0.0020193800000000 ] - [ 0.0002711000000000, 0.0002171600000000, 0.0000701800000000 ] - [ 0.0037946000000000, 0.0005863300000000, 0.0022231900000000 ] - [ -0.0000922300000000, -0.0001018900000000, 0.0001887900000000 ] - [ -0.0028113800000000, -0.0023617600000000, 0.0001615700000000 ] - [ 0.0000035100000000, -0.0001833200000000, 0.0001799900000000 ] - [ 0.0120978200000000, -0.0948387800000000, -0.1614462400000000 ] - [ 0.0001342500000000, -0.0006930600000000, 0.0001551100000000 ] - [ -0.0000379100000000, 0.0136094700000000, 0.0034464300000000 ] - [ -0.0003418800000000, 0.0000039600000000, -0.0001646700000000 ] - [ 0.0012647600000000, -0.0003702800000000, 0.0021968600000000 ] - [ 0.0000411300000000, -0.0005173300000000, -0.0002464500000000 ] - [ 0.0005895600000000, 0.0001048900000000, 0.0006187000000000 ] - [ 0.0001056800000000, -0.0003615300000000, 0.0004030200000000 ] - [ -0.0003788900000000, -0.0010290800000000, 0.0001468200000000 ] - [ -0.0009109900000000, 0.0005605200000000, -0.0002690300000000 ] - [ 0.0011845600000000, -0.0035294000000000, 0.0023911800000000 ] - [ 0.0001503600000000, 0.0006157100000000, 0.0001322500000000 ] - [ -0.0006567100000000, -0.0003152500000000, 0.0006441200000000 ] - [ -0.0003214900000000, -0.0006311200000000, 0.0002417600000000 ] - [ 0.0000964900000000, -0.0000336400000000, -0.0020027200000000 ] - [ -0.0005444600000000, -0.0006412700000000, 0.0000390500000000 ] - [ -0.0013117500000000, -0.0000738100000000, -0.0055682500000000 ] - [ -0.0001103600000000, 0.0002481200000000, -0.0004685100000000 ] - [ -0.0001950200000000, -0.0002195100000000, 0.0000620500000000 ] - [ -0.0002875300000000, -0.0006994600000000, 0.0020058800000000 ] - [ 0.0001816400000000, -0.0019366700000000, 0.0034001600000000 ] - [ 0.0000207900000000, 0.0003539300000000, 0.0003124900000000 ] - [ -0.0000197900000000, -0.0000925300000000, 0.0000463700000000 ] - [ -0.0001247900000000, 0.0000056900000000, -0.0002669800000000 ] - [ 0.0006748500000000, 0.0011407300000000, 0.0021709500000000 ] - [ -0.0002452800000000, 0.0009336900000000, 0.0007067900000000 ] - [ 0.0004263400000000, -0.0007420200000000, -0.0002069300000000 ] - [ -0.0004860300000000, -0.0017070700000000, -0.0000331700000000 ] - [ -0.0019989900000000, -0.0005219400000000, 0.0004948000000000 ] - [ 0.0001360400000000, 0.0000114700000000, -0.0001116600000000 ]- atom: 13 displacement: [ 0.0099999786541794, 0.0000000000000000, -0.0000206619446251 ] forces: - [ 0.0046457800000000, 0.0012045600000000, 0.0000019600000000 ] - [ 0.0002337600000000, -0.0009400600000000, 0.0000745400000000 ] - [ 0.0190610700000000, -0.0163494100000000, 0.0151885500000000 ] - [ 0.0000996800000000, 0.0000119400000000, -0.0000377200000000 ] - [ -0.0004460300000000, -0.0000271900000000, -0.0000312000000000 ] - [ -0.0008524600000000, -0.0009063900000000, 0.0027723600000000 ] - [ 0.0004652800000000, 0.0020922500000000, -0.0005236500000000 ] - [ 0.0003519700000000, -0.0022935900000000, -0.0004217100000000 ] - [ 0.0006352200000000, 0.0013683700000000, 0.0034604000000000 ] - [ 0.0002859500000000, -0.0003046900000000, 0.0001542500000000 ] - [ -0.0002569600000000, -0.0009842900000000, 0.0003279600000000 ] - [ 0.0003574300000000, 0.0019014000000000, 0.0022399200000000 ] - [ -0.4772661900000000, 0.1189409300000000, 0.0595189500000000 ] - [ 0.0002913400000000, -0.0007127900000000, -0.0000054000000000 ] - [ 0.0006923000000000, 0.0024704100000000, 0.0073652600000000 ] - [ -0.0000235700000000, -0.0000101900000000, 0.0002622800000000 ] - [ 0.0045936200000000, 0.0355192700000000, -0.0416858600000000 ] - [ -0.0002237100000000, -0.0002506600000000, -0.0002579300000000 ] - [ 0.0012989400000000, 0.0002663000000000, -0.0029075800000000 ] - [ -0.0003082800000000, -0.0005436700000000, -0.0004078700000000 ] - [ -0.0003084800000000, -0.0009358000000000, -0.0002000700000000 ] - [ 0.0040842000000000, 0.0090889700000000, 0.0036863000000000 ] - [ -0.0015487400000000, -0.0016983300000000, -0.0007416600000000 ] - [ -0.0015485400000000, -0.0000835000000000, -0.0006800000000000 ] - [ 0.0014543500000000, 0.0006074600000000, 0.0012087800000000 ] - [ 0.0007444700000000, 0.0006604400000000, 0.0006037100000000 ] - [ -0.0006740400000000, -0.0030139000000000, -0.0081067600000000 ] - [ 0.0001426700000000, -0.0002119500000000, -0.0005771000000000 ] - [ 0.0074879100000000, 0.0033686100000000, 0.0018036800000000 ] - [ 0.0001063400000000, -0.0012717700000000, -0.0001988700000000 ] - [ 0.0000741300000000, -0.0011527300000000, 0.0000921900000000 ] - [ 0.0095285000000000, -0.0022055600000000, 0.0005529500000000 ] - [ 0.0004341400000000, -0.0004629500000000, 0.0003303700000000 ] - [ -0.0027422800000000, 0.0016345600000000, -0.0011205000000000 ] - [ 0.0001173800000000, -0.0008293300000000, 0.0003568700000000 ] - [ 0.0005935300000000, -0.0022773500000000, 0.0006619700000000 ] - [ 0.0002197100000000, -0.0008821100000000, -0.0003989100000000 ] - [ -0.0015457400000000, -0.0017045900000000, -0.0026103600000000 ] - [ 0.0034984800000000, -0.0032598200000000, -0.0029076800000000 ] - [ 0.0001656700000000, 0.0003183500000000, -0.0001537800000000 ] - [ -0.0007904000000000, 0.0019823800000000, 0.0017237900000000 ] - [ 0.0002717800000000, -0.0006375700000000, 0.0004929300000000 ] - [ -0.0068241800000000, -0.0003637100000000, -0.0019631400000000 ] - [ -0.0010268800000000, -0.0007777400000000, 0.0007497700000000 ] - [ 0.0056340900000000, 0.0011980100000000, 0.0010478100000000 ] - [ 0.0003235900000000, -0.0015152000000000, -0.0001088200000000 ] - [ -0.0021229500000000, 0.0018322800000000, -0.0036904600000000 ] - [ -0.0002543300000000, -0.0011369100000000, -0.0001067000000000 ] - [ 0.0059664000000000, -0.0029385800000000, -0.0044019100000000 ] - [ 0.0000474600000000, -0.0006252600000000, -0.0000681600000000 ] - [ -0.0006879000000000, -0.0000321300000000, 0.0005523500000000 ] - [ -0.0023092900000000, -0.0012947400000000, -0.0011797000000000 ] - [ 0.0000964000000000, -0.0003989800000000, 0.0002969200000000 ] - [ -0.0000105100000000, -0.0007766900000000, -0.0000404600000000 ] - [ -0.0100154600000000, -0.0267497300000000, 0.0487667200000000 ] - [ -0.0004517700000000, -0.0002606100000000, 0.0000944500000000 ] - [ -0.0003177500000000, -0.0001089500000000, 0.0001200000000000 ] - [ -0.0086250500000000, 0.0083426600000000, -0.0102954700000000 ] - [ 0.0522590100000000, -0.0076946700000000, 0.0090042000000000 ] - [ 0.0001689300000000, 0.0000369000000000, -0.0002213600000000 ] - [ 0.0018620400000000, -0.0012362200000000, -0.0014773000000000 ] - [ 0.0002891000000000, 0.0006337400000000, -0.0003593300000000 ] - [ -0.0013587200000000, 0.0005694300000000, -0.0004838000000000 ] - [ -0.0005985000000000, 0.0015955000000000, -0.0001469100000000 ] - [ -0.0027678400000000, -0.0044412000000000, -0.0017758700000000 ] - [ 0.0002879400000000, 0.0002590000000000, 0.0001086800000000 ] - [ 0.0001748800000000, 0.0005774000000000, 0.0002727500000000 ] - [ 0.0022766300000000, -0.0001626200000000, 0.0018867300000000 ] - [ 0.0005217500000000, -0.0009347300000000, -0.0029618700000000 ] - [ 0.0001064900000000, 0.0007383800000000, -0.0002683000000000 ] - [ -0.0040414200000000, -0.0003452100000000, -0.0011512600000000 ] - [ 0.0001763000000000, 0.0010965700000000, 0.0001036200000000 ] - [ -0.0041595900000000, -0.0006960700000000, 0.0005655400000000 ] - [ 0.0003304400000000, 0.0003143900000000, 0.0002033500000000 ] - [ 0.0038783400000000, -0.0018520700000000, -0.0010417600000000 ] - [ 0.0005949900000000, 0.0012054400000000, -0.0005644300000000 ] - [ -0.0007861200000000, 0.0003109000000000, -0.0026871300000000 ] - [ 0.0002263000000000, 0.0011763700000000, -0.0002590900000000 ] - [ -0.0002775700000000, 0.0010963900000000, 0.0000179600000000 ] - [ -0.0014541400000000, -0.0039992700000000, -0.0023321600000000 ] - [ 0.0001066300000000, 0.0002628400000000, 0.0006915500000000 ] - [ 0.0005030300000000, 0.0002298100000000, 0.0011186400000000 ] - [ 0.0264441200000000, -0.0066987900000000, -0.0076283300000000 ] - [ 0.0002137600000000, 0.0002247000000000, -0.0001966800000000 ] - [ -0.0003757700000000, 0.0000846800000000, -0.0002438000000000 ] - [ -0.0004403500000000, 0.0005888600000000, -0.0005779000000000 ] - [ 0.0014287300000000, 0.0006201400000000, 0.0006750000000000 ] - [ 0.0007795400000000, 0.0007215400000000, -0.0000269400000000 ] - [ 0.0000242000000000, -0.0001175700000000, 0.0011518700000000 ] - [ 0.0001398900000000, 0.0000997700000000, 0.0001894900000000 ] - [ -0.0040184600000000, -0.0009333100000000, 0.0132963400000000 ] - [ 0.0000803200000000, 0.0007378000000000, 0.0003450000000000 ] - [ -0.0000911500000000, 0.0002236400000000, -0.0006406100000000 ] - [ -0.0010840500000000, -0.0018923700000000, -0.0024593300000000 ] - [ -0.0010086500000000, 0.0001495700000000, 0.0006659200000000 ] - [ -0.0006516700000000, 0.0006225000000000, 0.0003591300000000 ] - [ -0.0042417900000000, 0.0010284300000000, 0.0010244800000000 ] - [ 0.0001934600000000, -0.0001621400000000, -0.0000344600000000 ] - [ -0.0002324800000000, -0.0006475900000000, -0.0016667000000000 ] - [ -0.0001422300000000, 0.0005413100000000, -0.0005979800000000 ] - [ 0.2112882300000000, -0.0083093300000000, -0.1077278100000000 ] - [ 0.0002453700000000, 0.0006197800000000, -0.0001537300000000 ] - [ 0.0007289100000000, 0.0055958300000000, 0.0019674000000000 ] - [ 0.0004859900000000, 0.0001898100000000, 0.0002488100000000 ] - [ -0.0011673500000000, -0.0005290500000000, 0.0000341400000000 ] - [ -0.0000517900000000, 0.0002647100000000, 0.0002511000000000 ] - [ -0.0018906400000000, -0.0016070200000000, -0.0030058000000000 ] - [ 0.0000034000000000, -0.0002896800000000, 0.0001394700000000 ] - [ -0.0015698500000000, 0.0020083300000000, -0.0009403000000000 ] - [ -0.0006865400000000, -0.0005917100000000, -0.0006119100000000 ] - [ 0.1851172900000000, -0.0871958600000000, 0.0303242800000000 ] - [ -0.0001400100000000, -0.0000117000000000, -0.0005972600000000 ] - [ 0.0003194700000000, 0.0011882200000000, 0.0024005300000000 ] - [ 0.0005549700000000, -0.0002772600000000, 0.0008424100000000 ] - [ -0.0004230200000000, -0.0000951100000000, -0.0001362800000000 ] - [ -0.0033675900000000, 0.0011503600000000, -0.0015092000000000 ] - [ -0.0039610700000000, -0.0041693100000000, -0.0051447400000000 ] - [ 0.0000517500000000, 0.0007044400000000, 0.0000302900000000 ] - [ 0.0000858600000000, -0.0003392400000000, 0.0000095800000000 ] - [ 0.0006657100000000, 0.0003454500000000, 0.0006023700000000 ] - [ -0.0009712200000000, -0.0015458400000000, 0.0006085700000000 ] - [ -0.0005597000000000, -0.0002082100000000, -0.0000524800000000 ] - [ 0.0012004300000000, 0.0017729100000000, 0.0023398400000000 ] - [ 0.0000629900000000, 0.0006758700000000, -0.0001580000000000 ] - [ -0.0000531800000000, 0.0000288200000000, -0.0002344500000000 ] - [ -0.0031528700000000, 0.0014521100000000, 0.0005961100000000 ] - [ 0.0011992200000000, 0.0004133800000000, -0.0002279900000000 ] - [ 0.0006961400000000, 0.0014121600000000, -0.0000334300000000 ] - [ -0.0002176000000000, 0.0002973900000000, 0.0001034600000000 ] - [ 0.0013099200000000, -0.0004426300000000, 0.0012699400000000 ] - [ -0.0072135600000000, -0.0106538500000000, 0.0026374100000000 ] - [ -0.0003879400000000, 0.0011621200000000, 0.0003534100000000 ] - [ 0.0006350500000000, -0.0002766300000000, 0.0001648500000000 ] - [ 0.0003038900000000, 0.0008863100000000, 0.0030904200000000 ] - [ 0.0024615400000000, 0.0000475100000000, 0.0018416800000000 ] - [ 0.0002394800000000, 0.0005150300000000, 0.0001217900000000 ]- atom: 13 displacement: [ -0.0099999786541794, 0.0000000000000000, 0.0000206619446251 ] forces: - [ -0.0041862400000000, -0.0018793700000000, 0.0000666300000000 ] - [ 0.0002398300000000, 0.0002926300000000, 0.0000284200000000 ] - [ -0.0184653400000000, 0.0167797300000000, -0.0149382100000000 ] - [ 0.0003710200000000, 0.0006481300000000, 0.0001421000000000 ] - [ -0.0000259500000000, 0.0006833900000000, -0.0000724000000000 ] - [ 0.0003693300000000, 0.0015726000000000, -0.0028869100000000 ] - [ -0.0009252600000000, -0.0027572800000000, 0.0004277500000000 ] - [ -0.0008219100000000, 0.0016458700000000, 0.0003183900000000 ] - [ -0.0002858800000000, -0.0004969500000000, -0.0036914700000000 ] - [ 0.0000649800000000, 0.0011965800000000, -0.0003887100000000 ] - [ -0.0000979800000000, 0.0018667400000000, -0.0000936700000000 ] - [ -0.0007083800000000, -0.0010026500000000, -0.0019937500000000 ] - [ 0.4755151200000000, -0.1281315500000000, -0.0456765000000000 ] - [ 0.0002739600000000, 0.0002098800000000, -0.0005199500000000 ] - [ -0.0007814000000000, -0.0011140400000000, -0.0072150600000000 ] - [ -0.0000385100000000, 0.0013659200000000, -0.0001696600000000 ] - [ -0.0045542400000000, -0.0346516000000000, 0.0412134400000000 ] - [ 0.0000267300000000, 0.0011427700000000, 0.0000444200000000 ] - [ -0.0020862600000000, -0.0004837900000000, 0.0026950500000000 ] - [ -0.0004921400000000, 0.0003322100000000, 0.0001899100000000 ] - [ 0.0000549300000000, 0.0011564300000000, 0.0000079600000000 ] - [ -0.0043264900000000, -0.0088153700000000, -0.0038696600000000 ] - [ 0.0009837000000000, 0.0011951900000000, 0.0012666300000000 ] - [ 0.0009843900000000, -0.0004175000000000, 0.0012015300000000 ] - [ -0.0013887500000000, 0.0007333900000000, -0.0013015800000000 ] - [ -0.0006830400000000, 0.0006981600000000, -0.0006942100000000 ] - [ 0.0012854900000000, 0.0035219600000000, 0.0075551900000000 ] - [ 0.0004268900000000, 0.0007230000000000, 0.0000540200000000 ] - [ -0.0071804800000000, -0.0042764300000000, -0.0020696000000000 ] - [ 0.0002466700000000, 0.0003937800000000, -0.0000345000000000 ] - [ -0.0000160800000000, -0.0001929400000000, -0.0001862300000000 ] - [ -0.0094681400000000, 0.0008716000000000, -0.0006558800000000 ] - [ 0.0003646600000000, 0.0002549100000000, -0.0001138700000000 ] - [ 0.0035385700000000, -0.0018807400000000, 0.0013245600000000 ] - [ -0.0004714500000000, -0.0000510400000000, -0.0001392700000000 ] - [ -0.0009456500000000, 0.0014001900000000, -0.0004313500000000 ] - [ -0.0000190700000000, 0.0000023700000000, 0.0006097500000000 ] - [ 0.0017672500000000, 0.0008190700000000, 0.0028270000000000 ] - [ -0.0027118600000000, 0.0034615900000000, 0.0031166900000000 ] - [ 0.0006369600000000, -0.0000966400000000, 0.0003751200000000 ] - [ 0.0010532300000000, -0.0017790500000000, -0.0015242600000000 ] - [ -0.0000194600000000, 0.0008591900000000, -0.0003010200000000 ] - [ 0.0070158900000000, 0.0012672200000000, 0.0022030800000000 ] - [ 0.0012187100000000, 0.0016697600000000, -0.0005295200000000 ] - [ -0.0056995500000000, -0.0025646100000000, -0.0009898700000000 ] - [ -0.0003804200000000, 0.0001695900000000, 0.0002013600000000 ] - [ 0.0021959100000000, -0.0026843100000000, 0.0033983600000000 ] - [ 0.0000579500000000, 0.0002545300000000, -0.0001070600000000 ] - [ -0.0057064200000000, 0.0027691600000000, 0.0046088100000000 ] - [ 0.0002071700000000, 0.0004151100000000, 0.0002605300000000 ] - [ 0.0001218100000000, 0.0005545000000000, -0.0000318500000000 ] - [ 0.0017516300000000, 0.0017879800000000, 0.0017034800000000 ] - [ -0.0003680000000000, 0.0001939500000000, -0.0005464200000000 ] - [ -0.0002432600000000, 0.0005641200000000, -0.0001523800000000 ] - [ 0.0090368700000000, 0.0271541100000000, -0.0490119600000000 ] - [ -0.0003510900000000, 0.0004803000000000, -0.0003154500000000 ] - [ -0.0003009700000000, -0.0005713900000000, 0.0003300800000000 ] - [ 0.0079855600000000, -0.0089932900000000, 0.0106586100000000 ] - [ -0.0525683200000000, 0.0080316700000000, -0.0105440700000000 ] - [ -0.0000190900000000, -0.0007356900000000, 0.0002951200000000 ] - [ -0.0012180100000000, 0.0019278100000000, 0.0010260300000000 ] - [ 0.0003345800000000, 0.0000401300000000, -0.0000893700000000 ] - [ 0.0010505100000000, 0.0006311100000000, 0.0000285800000000 ] - [ 0.0002906900000000, -0.0004081200000000, -0.0003174800000000 ] - [ 0.0034381300000000, 0.0034465500000000, 0.0017318000000000 ] - [ 0.0003681300000000, -0.0012857600000000, -0.0001708800000000 ] - [ -0.0000454000000000, 0.0000581100000000, 0.0005629900000000 ] - [ -0.0021466000000000, 0.0008179800000000, -0.0010562900000000 ] - [ -0.0000218700000000, 0.0012536100000000, 0.0030246600000000 ] - [ 0.0004007200000000, -0.0004389800000000, 0.0003290200000000 ] - [ 0.0043593900000000, 0.0015335400000000, 0.0016289400000000 ] - [ 0.0001322000000000, 0.0000936500000000, 0.0003632600000000 ] - [ 0.0046951700000000, 0.0003782500000000, -0.0005080500000000 ] - [ 0.0001747900000000, -0.0006231600000000, -0.0001447400000000 ] - [ -0.0027888900000000, 0.0030921900000000, 0.0008394000000000 ] - [ 0.0005180400000000, 0.0000234900000000, 0.0003736900000000 ] - [ 0.0014473200000000, 0.0007190900000000, 0.0026175500000000 ] - [ 0.0004309100000000, -0.0001603300000000, 0.0001983900000000 ] - [ -0.0002279100000000, -0.0007927300000000, -0.0000788900000000 ] - [ 0.0009441300000000, 0.0042801600000000, 0.0022601200000000 ] - [ -0.0002565200000000, -0.0009611500000000, -0.0007648800000000 ] - [ -0.0006589400000000, -0.0009291800000000, -0.0011894300000000 ] - [ -0.0260530800000000, 0.0064366300000000, 0.0075637600000000 ] - [ 0.0001523200000000, -0.0003662400000000, -0.0000408900000000 ] - [ -0.0001191700000000, -0.0004065300000000, 0.0002060600000000 ] - [ -0.0000644400000000, -0.0008961500000000, 0.0005204800000000 ] - [ -0.0017006300000000, -0.0000715400000000, -0.0006700800000000 ] - [ -0.0010506300000000, -0.0001823100000000, 0.0000320100000000 ] - [ 0.0001823300000000, -0.0004206600000000, -0.0010799400000000 ] - [ 0.0001308500000000, -0.0006506200000000, -0.0001977700000000 ] - [ 0.0041652000000000, 0.0016782600000000, -0.0132653900000000 ] - [ 0.0000689200000000, -0.0000445700000000, -0.0002740600000000 ] - [ -0.0002148200000000, -0.0014155500000000, 0.0001760500000000 ] - [ 0.0007810300000000, 0.0006926000000000, 0.0019838900000000 ] - [ 0.0003737900000000, 0.0005278600000000, -0.0002169500000000 ] - [ 0.0000296000000000, 0.0000521900000000, 0.0000904800000000 ] - [ 0.0048680000000000, -0.0016920300000000, -0.0014629300000000 ] - [ 0.0004236500000000, -0.0005191400000000, -0.0004156500000000 ] - [ 0.0001748900000000, 0.0010095400000000, 0.0012552100000000 ] - [ 0.0000860000000000, -0.0001920700000000, 0.0001902100000000 ] - [ -0.2002730400000000, 0.0088082500000000, 0.0986410200000000 ] - [ 0.0000265100000000, -0.0000749300000000, 0.0001465600000000 ] - [ -0.0010740500000000, -0.0057160200000000, -0.0017373400000000 ] - [ -0.0008517800000000, -0.0003328800000000, -0.0000134000000000 ] - [ 0.0012311000000000, 0.0001824900000000, 0.0004090100000000 ] - [ 0.0001081900000000, -0.0006225300000000, 0.0001570500000000 ] - [ 0.0021969400000000, 0.0004211700000000, 0.0034668000000000 ] - [ 0.0003050200000000, -0.0009100400000000, 0.0003246800000000 ] - [ 0.0009128300000000, -0.0009785900000000, 0.0010004000000000 ] - [ 0.0000282200000000, 0.0016026400000000, 0.0006703000000000 ] - [ -0.1935275100000000, 0.0943685300000000, -0.0347666300000000 ] - [ 0.0000116000000000, -0.0006337900000000, -0.0002326200000000 ] - [ -0.0001892900000000, -0.0018300600000000, -0.0015654800000000 ] - [ -0.0004272800000000, -0.0003690500000000, -0.0000125900000000 ] - [ -0.0002327100000000, -0.0009323400000000, 0.0002011900000000 ] - [ 0.0027126700000000, -0.0021789500000000, 0.0015790700000000 ] - [ 0.0039991400000000, 0.0044906700000000, 0.0055090400000000 ] - [ 0.0000052900000000, -0.0003519700000000, 0.0003789400000000 ] - [ -0.0003614600000000, -0.0002136100000000, 0.0000003400000000 ] - [ -0.0009452500000000, -0.0008933000000000, -0.0005935400000000 ] - [ -0.0001207500000000, 0.0002221400000000, -0.0003012800000000 ] - [ -0.0005512300000000, -0.0010259000000000, 0.0002447700000000 ] - [ -0.0013496500000000, -0.0011351900000000, -0.0031715000000000 ] - [ -0.0001948300000000, -0.0000369800000000, -0.0006745200000000 ] - [ -0.0000037500000000, -0.0003867000000000, -0.0001730200000000 ] - [ 0.0030872000000000, -0.0018130400000000, -0.0010040100000000 ] - [ -0.0013501600000000, 0.0002728500000000, 0.0001500700000000 ] - [ -0.0008464200000000, -0.0007129000000000, -0.0000442600000000 ] - [ -0.0001465200000000, -0.0001620500000000, 0.0001364400000000 ] - [ -0.0016855600000000, 0.0005931200000000, -0.0010299700000000 ] - [ 0.0060739500000000, 0.0118547900000000, -0.0024208800000000 ] - [ -0.0007242200000000, 0.0000680800000000, -0.0001640900000000 ] - [ 0.0004747300000000, -0.0009586800000000, -0.0003570100000000 ] - [ 0.0007970500000000, -0.0021283900000000, -0.0032934500000000 ] - [ -0.0021540200000000, 0.0000909500000000, -0.0020874400000000 ] - [ 0.0001265300000000, -0.0003767400000000, -0.0003592300000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0013390500000000, -0.0046531400000000, -0.0023554700000000 ] - [ 0.0003983200000000, 0.0016088500000000, -0.0001149200000000 ] - [ -0.0176848400000000, 0.0000358600000000, -0.0000014400000000 ] - [ 0.0001498100000000, 0.0022317200000000, 0.0002127100000000 ] - [ 0.0002476100000000, 0.0020773400000000, 0.0001748300000000 ] - [ -0.0008866800000000, 0.0019568800000000, -0.0034862200000000 ] - [ 0.0027946100000000, 0.0008320800000000, 0.0009147400000000 ] - [ -0.0010767700000000, 0.0020748800000000, 0.0001732400000000 ] - [ 0.0001219300000000, -0.0050230300000000, -0.0014192900000000 ] - [ -0.0001108700000000, 0.0029290600000000, -0.0004427100000000 ] - [ -0.0002645800000000, 0.0023350400000000, 0.0001424600000000 ] - [ 0.0002584900000000, 0.0016439700000000, 0.0005368500000000 ] - [ 0.1271914500000000, -0.3117211100000000, 0.1914193000000000 ] - [ -0.0001772300000000, 0.0012726900000000, -0.0009748700000000 ] - [ 0.0000139000000000, -0.0011759800000000, 0.0009127800000000 ] - [ -0.0004806300000000, 0.0024138100000000, -0.0002511800000000 ] - [ 0.0196273100000000, -0.0058192700000000, -0.0068831900000000 ] - [ -0.0001178400000000, 0.0023655400000000, 0.0000561000000000 ] - [ 0.0043998200000000, -0.0021406300000000, -0.0027666100000000 ] - [ -0.0002200300000000, 0.0011885800000000, 0.0004831300000000 ] - [ 0.0000224200000000, 0.0019896300000000, 0.0000415600000000 ] - [ 0.0020185700000000, -0.0000003500000000, 0.0006293800000000 ] - [ -0.0004409100000000, 0.0009380700000000, 0.0014771800000000 ] - [ 0.0011625700000000, 0.0009346000000000, 0.0003962800000000 ] - [ 0.0006879700000000, -0.0007987600000000, -0.0002004200000000 ] - [ -0.0000553600000000, 0.0022650400000000, -0.0001531400000000 ] - [ 0.0035498600000000, -0.0040078500000000, -0.0053617900000000 ] - [ 0.0007529400000000, 0.0017048400000000, 0.0004571400000000 ] - [ -0.0043057300000000, -0.0081381300000000, -0.0004526400000000 ] - [ 0.0004514000000000, 0.0020717300000000, 0.0001362800000000 ] - [ 0.0000265400000000, 0.0010421000000000, -0.0001758300000000 ] - [ -0.0075756100000000, -0.0004620300000000, -0.0001659100000000 ] - [ -0.0000330200000000, 0.0015171200000000, -0.0009497500000000 ] - [ 0.0021286000000000, -0.0026129100000000, 0.0054762000000000 ] - [ -0.0005155500000000, 0.0010954700000000, -0.0010865600000000 ] - [ -0.0005783200000000, 0.0015712200000000, -0.0002574300000000 ] - [ 0.0003524200000000, 0.0017572300000000, -0.0000636200000000 ] - [ 0.0005472400000000, -0.0005206200000000, 0.0014301800000000 ] - [ -0.0037803500000000, -0.0008414400000000, 0.0016863700000000 ] - [ 0.0010507700000000, 0.0012690900000000, 0.0006368300000000 ] - [ 0.0028337000000000, -0.0057694900000000, 0.0059398100000000 ] - [ -0.0002786300000000, 0.0022089000000000, -0.0004317700000000 ] - [ -0.0005514300000000, 0.0058931300000000, 0.0023426800000000 ] - [ 0.0006436500000000, 0.0031719500000000, -0.0005278100000000 ] - [ -0.0023194500000000, -0.0026021800000000, -0.0019573700000000 ] - [ 0.0001996400000000, 0.0011457600000000, 0.0003168200000000 ] - [ 0.0114849200000000, 0.0145023500000000, -0.0229691500000000 ] - [ -0.0000493100000000, 0.0015116800000000, -0.0002169300000000 ] - [ -0.0044826800000000, -0.0009514400000000, 0.0035114600000000 ] - [ 0.0005040600000000, 0.0018923400000000, 0.0004205900000000 ] - [ -0.0005816700000000, 0.0031487400000000, -0.0017586800000000 ] - [ -0.0018414500000000, 0.0037885500000000, 0.0006747700000000 ] - [ -0.0017489800000000, 0.0009821400000000, -0.0058515800000000 ] - [ -0.0003081600000000, 0.0015911900000000, -0.0000977700000000 ] - [ -0.0119478800000000, 0.0295330000000000, -0.0377142700000000 ] - [ -0.0006521800000000, 0.0015108500000000, -0.0006158100000000 ] - [ -0.0000963700000000, -0.0013463400000000, 0.0004383700000000 ] - [ 0.0067892200000000, -0.0080743500000000, 0.0040980100000000 ] - [ -0.0009158900000000, 0.1101370900000000, -0.1175852600000000 ] - [ 0.0000617600000000, -0.0015193200000000, 0.0007468100000000 ] - [ -0.0004188000000000, 0.0032339400000000, -0.0010079800000000 ] - [ 0.0008817200000000, -0.0007416600000000, 0.0001796100000000 ] - [ -0.0001388900000000, 0.0008375500000000, 0.0001151500000000 ] - [ 0.0001033600000000, -0.0008659500000000, -0.0003976500000000 ] - [ 0.0012779500000000, 0.0046387100000000, 0.0012461700000000 ] - [ 0.0001012200000000, -0.0025934300000000, -0.0004792700000000 ] - [ 0.0008070100000000, -0.0012760000000000, 0.0015144100000000 ] - [ -0.0002468900000000, -0.0014344300000000, -0.0026002100000000 ] - [ -0.0007560200000000, 0.0049899800000000, -0.0001280800000000 ] - [ 0.0006128200000000, -0.0015325100000000, 0.0006068700000000 ] - [ 0.0034725200000000, 0.0035053600000000, 0.0004509700000000 ] - [ 0.0000009700000000, -0.0010436000000000, 0.0005378500000000 ] - [ 0.0036626800000000, 0.0030686100000000, -0.0006240000000000 ] - [ -0.0000631100000000, -0.0017693100000000, -0.0004777900000000 ] - [ -0.0016193400000000, -0.0003083300000000, -0.0061627600000000 ] - [ 0.0009597800000000, -0.0008556900000000, 0.0006852800000000 ] - [ 0.0004748700000000, 0.0041582700000000, -0.0000069300000000 ] - [ 0.0006291100000000, -0.0015313200000000, 0.0004522000000000 ] - [ -0.0002892900000000, -0.0012215100000000, -0.0003112900000000 ] - [ -0.0005126600000000, 0.0001232600000000, -0.0002912900000000 ] - [ -0.0001415500000000, -0.0014616500000000, -0.0008713900000000 ] - [ -0.0005935500000000, -0.0010092200000000, -0.0002448000000000 ] - [ -0.0102744000000000, -0.0003212900000000, 0.0095255900000000 ] - [ 0.0004312800000000, -0.0010203100000000, 0.0001105700000000 ] - [ 0.0005836800000000, -0.0017141100000000, 0.0016594000000000 ] - [ -0.0000247600000000, -0.0014032000000000, 0.0003850800000000 ] - [ 0.0004048900000000, -0.0014783000000000, -0.0014391600000000 ] - [ -0.0007725600000000, -0.0013096700000000, 0.0001160400000000 ] - [ -0.0067175600000000, 0.0033576700000000, 0.0113982400000000 ] - [ 0.0001373000000000, -0.0014075800000000, -0.0004787800000000 ] - [ -0.0026800500000000, 0.0045951700000000, 0.0053769600000000 ] - [ 0.0000649900000000, -0.0007843100000000, -0.0006837600000000 ] - [ -0.0002173200000000, -0.0019749100000000, 0.0000791700000000 ] - [ 0.0002641400000000, -0.0002438800000000, 0.0000738600000000 ] - [ -0.0025968900000000, 0.0003632000000000, 0.0003275900000000 ] - [ -0.0004560400000000, -0.0005949700000000, -0.0000529800000000 ] - [ 0.0028639600000000, 0.0010945600000000, -0.0007403400000000 ] - [ -0.0001584700000000, -0.0012966800000000, -0.0005321000000000 ] - [ -0.0005937600000000, 0.0010644000000000, -0.0017247900000000 ] - [ 0.0000668400000000, -0.0010360200000000, -0.0000651400000000 ] - [ -0.0151402500000000, 0.0539623100000000, -0.0039678300000000 ] - [ 0.0001201800000000, -0.0008547800000000, 0.0004501200000000 ] - [ 0.0030746300000000, -0.0007956300000000, -0.0025242400000000 ] - [ -0.0009229400000000, -0.0011166400000000, -0.0001040900000000 ] - [ 0.0009126400000000, 0.0012912300000000, 0.0028586900000000 ] - [ 0.0000067900000000, -0.0013262800000000, 0.0000295300000000 ] - [ 0.0010909300000000, 0.0023686300000000, 0.0022879300000000 ] - [ 0.0003283900000000, -0.0021777700000000, 0.0000026600000000 ] - [ 0.0000849600000000, -0.0005381000000000, 0.0001622800000000 ] - [ -0.0004739300000000, -0.0006459500000000, -0.0002622500000000 ] - [ -0.0936023500000000, 0.1107697400000000, -0.0294242400000000 ] - [ 0.0003797600000000, -0.0014441500000000, 0.0001611000000000 ] - [ 0.0006053300000000, -0.0009642700000000, -0.0006205500000000 ] - [ -0.0007151700000000, -0.0012772400000000, -0.0001510600000000 ] - [ -0.0001373700000000, -0.0020444900000000, 0.0005748700000000 ] - [ 0.0016192200000000, -0.0016483500000000, 0.0010984400000000 ] - [ -0.0002796700000000, 0.0023809600000000, -0.0008540000000000 ] - [ 0.0000866400000000, -0.0010074200000000, 0.0004065700000000 ] - [ -0.0007176800000000, -0.0016987600000000, 0.0009067500000000 ] - [ 0.0005793500000000, -0.0009209200000000, -0.0006948800000000 ] - [ -0.0001359600000000, -0.0044941200000000, 0.0052563400000000 ] - [ -0.0002935600000000, -0.0017841800000000, 0.0003936700000000 ] - [ -0.0012616800000000, 0.0025262900000000, 0.0017439600000000 ] - [ -0.0005054200000000, -0.0007602400000000, -0.0010159800000000 ] - [ -0.0001472600000000, -0.0013461800000000, -0.0001344400000000 ] - [ 0.0023896400000000, -0.0004344800000000, -0.0013243000000000 ] - [ -0.0005325900000000, -0.0022956300000000, 0.0009107500000000 ] - [ -0.0000650500000000, -0.0015414600000000, 0.0006431900000000 ] - [ 0.0000861400000000, -0.0009378500000000, 0.0005712000000000 ] - [ -0.0005981400000000, 0.0013073300000000, -0.0012660800000000 ] - [ -0.0011364000000000, 0.0049261400000000, -0.0009144400000000 ] - [ -0.0008274500000000, -0.0005500100000000, -0.0003264700000000 ] - [ 0.0000552500000000, -0.0019326100000000, -0.0005996000000000 ] - [ 0.0010018900000000, -0.0002765400000000, -0.0015203100000000 ] - [ -0.0084739500000000, -0.0025630400000000, 0.0035968900000000 ] - [ -0.0000381700000000, -0.0009181100000000, -0.0004641800000000 ]- atom: 13 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0017965500000000, 0.0039896300000000, 0.0024613900000000 ] - [ 0.0000734200000000, -0.0022658700000000, 0.0002181800000000 ] - [ 0.0182147000000000, 0.0007369700000000, 0.0001170000000000 ] - [ 0.0003234600000000, -0.0015834900000000, -0.0001103200000000 ] - [ -0.0007232200000000, -0.0014326800000000, -0.0002833100000000 ] - [ 0.0004124400000000, -0.0013114100000000, 0.0033885900000000 ] - [ -0.0032939200000000, -0.0014830000000000, -0.0010066600000000 ] - [ 0.0006002700000000, -0.0027342600000000, -0.0002789200000000 ] - [ 0.0002280400000000, 0.0059181700000000, 0.0011746500000000 ] - [ 0.0004648800000000, -0.0020534900000000, 0.0002124100000000 ] - [ -0.0000857700000000, -0.0014452400000000, 0.0000913700000000 ] - [ -0.0006090700000000, -0.0007731300000000, -0.0003104100000000 ] - [ -0.1205969800000000, 0.3102769800000000, -0.1961651200000000 ] - [ 0.0007481400000000, -0.0017823600000000, 0.0004480200000000 ] - [ -0.0000767700000000, 0.0025175500000000, -0.0008339200000000 ] - [ 0.0004184800000000, -0.0010662600000000, 0.0003455000000000 ] - [ -0.0197800300000000, 0.0064639500000000, 0.0066682600000000 ] - [ -0.0000777000000000, -0.0014863700000000, -0.0002721900000000 ] - [ -0.0052000000000000, 0.0019434800000000, 0.0025591700000000 ] - [ -0.0005799600000000, -0.0014081900000000, -0.0007046900000000 ] - [ -0.0002755300000000, -0.0017782800000000, -0.0002328600000000 ] - [ -0.0022643300000000, 0.0001859500000000, -0.0008401700000000 ] - [ -0.0001122800000000, -0.0014441500000000, -0.0009646700000000 ] - [ -0.0017318500000000, -0.0014476300000000, 0.0001305800000000 ] - [ -0.0006260500000000, 0.0021687100000000, 0.0000867700000000 ] - [ 0.0001172600000000, -0.0009216200000000, 0.0000595900000000 ] - [ -0.0029646600000000, 0.0045506800000000, 0.0048685000000000 ] - [ -0.0001846200000000, -0.0012034700000000, -0.0009880200000000 ] - [ 0.0046865700000000, 0.0072836600000000, 0.0002192100000000 ] - [ -0.0000987800000000, -0.0029612500000000, -0.0003679600000000 ] - [ 0.0000324500000000, -0.0023944000000000, 0.0000814300000000 ] - [ 0.0076565700000000, -0.0009079400000000, 0.0000762400000000 ] - [ 0.0008314600000000, -0.0017371800000000, 0.0011778600000000 ] - [ -0.0013280000000000, 0.0023619400000000, -0.0052059800000000 ] - [ 0.0001606700000000, -0.0019736000000000, 0.0013111200000000 ] - [ 0.0002280500000000, -0.0024695700000000, 0.0004917700000000 ] - [ -0.0001538200000000, -0.0026488800000000, 0.0002789600000000 ] - [ -0.0003608600000000, -0.0003786800000000, -0.0012057500000000 ] - [ 0.0046446900000000, 0.0010858200000000, -0.0014857700000000 ] - [ -0.0002519300000000, -0.0010588400000000, -0.0004196500000000 ] - [ -0.0026091900000000, 0.0060595800000000, -0.0058443800000000 ] - [ 0.0005330700000000, -0.0020017200000000, 0.0006223200000000 ] - [ 0.0007831200000000, -0.0050878800000000, -0.0021331000000000 ] - [ -0.0004420000000000, -0.0022889900000000, 0.0007331000000000 ] - [ 0.0022567900000000, 0.0012678800000000, 0.0020478700000000 ] - [ -0.0002632300000000, -0.0025032900000000, -0.0002241700000000 ] - [ -0.0115626900000000, -0.0152889700000000, 0.0229702100000000 ] - [ -0.0001483600000000, -0.0024003800000000, 0.0000024400000000 ] - [ 0.0047477800000000, 0.0007202400000000, -0.0033356000000000 ] - [ -0.0002511400000000, -0.0021109500000000, -0.0002304800000000 ] - [ 0.0000125700000000, -0.0026608800000000, 0.0023186500000000 ] - [ 0.0012392000000000, -0.0032572300000000, -0.0001520700000000 ] - [ 0.0014907800000000, -0.0011830400000000, 0.0056434300000000 ] - [ 0.0000556400000000, -0.0018128200000000, -0.0000910100000000 ] - [ 0.0108536500000000, -0.0293342100000000, 0.0371913500000000 ] - [ -0.0001449100000000, -0.0013004000000000, 0.0003965900000000 ] - [ -0.0005215300000000, 0.0006770800000000, 0.0000060300000000 ] - [ -0.0074131700000000, 0.0074936700000000, -0.0037031600000000 ] - [ 0.0013710500000000, -0.1120816100000000, 0.1227940900000000 ] - [ 0.0000898200000000, 0.0008208600000000, -0.0006684900000000 ] - [ 0.0010324500000000, -0.0025432000000000, 0.0005604200000000 ] - [ -0.0002657400000000, 0.0014170200000000, -0.0006254400000000 ] - [ -0.0001654400000000, 0.0003545900000000, -0.0005755800000000 ] - [ -0.0004129100000000, 0.0020702500000000, -0.0000632500000000 ] - [ -0.0006223300000000, -0.0056861600000000, -0.0013140900000000 ] - [ 0.0005549800000000, 0.0015740700000000, 0.0004153800000000 ] - [ -0.0006755100000000, 0.0019259300000000, -0.0006969300000000 ] - [ 0.0003914500000000, 0.0020549100000000, 0.0033927300000000 ] - [ 0.0012715700000000, -0.0047202200000000, 0.0002112800000000 ] - [ -0.0001084300000000, 0.0018422900000000, -0.0005457000000000 ] - [ -0.0031758200000000, -0.0023082500000000, 0.0000090000000000 ] - [ 0.0003094100000000, 0.0022444100000000, -0.0000752500000000 ] - [ -0.0031707200000000, -0.0033792800000000, 0.0006969000000000 ] - [ 0.0005690700000000, 0.0014682300000000, 0.0005411300000000 ] - [ 0.0027611900000000, 0.0015697300000000, 0.0060880000000000 ] - [ 0.0001476300000000, 0.0020874900000000, -0.0008697300000000 ] - [ 0.0001809300000000, -0.0031410500000000, -0.0000550000000000 ] - [ 0.0000250400000000, 0.0025612500000000, -0.0005191300000000 ] - [ -0.0002184500000000, 0.0015283600000000, 0.0002463800000000 ] - [ 0.0000071300000000, 0.0001971700000000, 0.0002356400000000 ] - [ -0.0000124700000000, 0.0007658500000000, 0.0008007000000000 ] - [ 0.0004443100000000, 0.0003136400000000, 0.0001653800000000 ] - [ 0.0106108800000000, 0.0002443200000000, -0.0098198600000000 ] - [ -0.0000713300000000, 0.0008915700000000, -0.0003590100000000 ] - [ -0.0010826600000000, 0.0013969600000000, -0.0017112800000000 ] - [ -0.0004827600000000, 0.0011041200000000, -0.0004525300000000 ] - [ -0.0006989600000000, 0.0020393300000000, 0.0014580000000000 ] - [ 0.0004957000000000, 0.0018525100000000, -0.0001098300000000 ] - [ 0.0069845900000000, -0.0039066800000000, -0.0114053400000000 ] - [ 0.0001386300000000, 0.0008713200000000, 0.0004780000000000 ] - [ 0.0028614100000000, -0.0038856100000000, -0.0053947100000000 ] - [ 0.0000864800000000, 0.0014883700000000, 0.0007651600000000 ] - [ -0.0000916700000000, 0.0007757700000000, -0.0005416600000000 ] - [ -0.0005743800000000, -0.0009465300000000, -0.0005350300000000 ] - [ 0.0019709200000000, 0.0002998200000000, 0.0001172500000000 ] - [ -0.0001600500000000, 0.0012706200000000, 0.0004973400000000 ] - [ -0.0022651200000000, -0.0017949000000000, 0.0002903500000000 ] - [ 0.0007777200000000, 0.0006268200000000, 0.0000888500000000 ] - [ 0.0005437600000000, -0.0007188400000000, 0.0013658500000000 ] - [ -0.0001229800000000, 0.0013914100000000, -0.0003377000000000 ] - [ 0.0141347700000000, -0.0532354700000000, 0.0049517700000000 ] - [ 0.0001552400000000, 0.0013966000000000, -0.0004533200000000 ] - [ -0.0035012500000000, 0.0006569400000000, 0.0027900300000000 ] - [ 0.0005593400000000, 0.0009849600000000, 0.0003538700000000 ] - [ -0.0008546200000000, -0.0016487200000000, -0.0024525200000000 ] - [ 0.0000499200000000, 0.0009798800000000, 0.0003742900000000 ] - [ -0.0007749000000000, -0.0035767500000000, -0.0018168100000000 ] - [ -0.0000195200000000, 0.0009852400000000, 0.0004609000000000 ] - [ -0.0007370000000000, 0.0015514500000000, -0.0000923900000000 ] - [ -0.0001806100000000, 0.0016790400000000, 0.0003304600000000 ] - [ 0.0884739900000000, -0.1094918800000000, 0.0268830000000000 ] - [ -0.0005203300000000, 0.0008052800000000, -0.0009885000000000 ] - [ -0.0004818500000000, 0.0003177100000000, 0.0014584700000000 ] - [ 0.0008549100000000, 0.0006394100000000, 0.0009793700000000 ] - [ -0.0005158200000000, 0.0010161300000000, -0.0005071500000000 ] - [ -0.0022778800000000, 0.0006342200000000, -0.0010376100000000 ] - [ 0.0003442700000000, -0.0020083600000000, 0.0012792700000000 ] - [ -0.0000301600000000, 0.0013606900000000, -0.0000028100000000 ] - [ 0.0004476200000000, 0.0011627500000000, -0.0009150800000000 ] - [ -0.0008402900000000, 0.0003846200000000, 0.0006888000000000 ] - [ -0.0009762600000000, 0.0031866400000000, -0.0050496800000000 ] - [ -0.0008157600000000, 0.0005558800000000, -0.0002105000000000 ] - [ 0.0011074700000000, -0.0019067800000000, -0.0025865300000000 ] - [ 0.0003695000000000, 0.0014054300000000, 0.0001898800000000 ] - [ 0.0000924300000000, 0.0009989800000000, -0.0002683300000000 ] - [ -0.0024514200000000, 0.0000972900000000, 0.0009224700000000 ] - [ 0.0003872800000000, 0.0030255200000000, -0.0010132100000000 ] - [ -0.0000835200000000, 0.0022347900000000, -0.0007137700000000 ] - [ -0.0004480100000000, 0.0010729900000000, -0.0003258800000000 ] - [ 0.0002431300000000, -0.0011639400000000, 0.0015004200000000 ] - [ 0.0000401600000000, -0.0036353800000000, 0.0011049400000000 ] - [ -0.0002811600000000, 0.0017833100000000, 0.0005129400000000 ] - [ 0.0010549800000000, 0.0007073400000000, 0.0004151400000000 ] - [ 0.0001106000000000, -0.0009445700000000, 0.0013384700000000 ] - [ 0.0088366100000000, 0.0026798100000000, -0.0038682000000000 ] - [ 0.0004014400000000, 0.0010523500000000, 0.0002172900000000 ]- atom: 13 displacement: [ -0.0045139598196510, 0.0000000000000000, 0.0089232374588249 ] forces: - [ -0.0020470100000000, 0.0017570900000000, 0.0053767300000000 ] - [ 0.0001039200000000, -0.0009994800000000, 0.0001852600000000 ] - [ 0.0058090200000000, 0.0081607600000000, -0.0195914800000000 ] - [ 0.0004145300000000, -0.0003982000000000, -0.0000563300000000 ] - [ -0.0001640700000000, 0.0002979900000000, 0.0002648800000000 ] - [ 0.0011904900000000, -0.0010053100000000, 0.0018105800000000 ] - [ -0.0019281400000000, -0.0025657000000000, -0.0026919100000000 ] - [ -0.0004417000000000, -0.0003827800000000, -0.0002218700000000 ] - [ 0.0009887000000000, 0.0015466900000000, 0.0023249600000000 ] - [ 0.0002671800000000, -0.0003414500000000, -0.0000775200000000 ] - [ -0.0000460400000000, -0.0001231200000000, -0.0002990000000000 ] - [ -0.0005327100000000, -0.0008800300000000, -0.0021930900000000 ] - [ 0.2528089700000000, 0.1205376000000000, -0.4328970400000000 ] - [ 0.0005083400000000, -0.0006812100000000, -0.0001897000000000 ] - [ 0.0038746700000000, 0.0011849000000000, -0.0050327300000000 ] - [ 0.0003383200000000, 0.0001637500000000, 0.0000114000000000 ] - [ -0.0241434700000000, -0.0296720800000000, 0.0488047900000000 ] - [ -0.0001168200000000, 0.0000486300000000, -0.0001004900000000 ] - [ -0.0085568600000000, 0.0012470100000000, 0.0058060200000000 ] - [ -0.0006638600000000, -0.0004608300000000, -0.0001244100000000 ] - [ -0.0001090900000000, -0.0001489400000000, -0.0002375400000000 ] - [ -0.0043876900000000, -0.0062313200000000, -0.0099317000000000 ] - [ -0.0005482300000000, 0.0002776500000000, 0.0016178000000000 ] - [ -0.0006042000000000, -0.0014162000000000, 0.0015933400000000 ] - [ -0.0019159400000000, 0.0009582000000000, 0.0016548200000000 ] - [ -0.0003863200000000, -0.0001094400000000, -0.0002265700000000 ] - [ -0.0062480300000000, 0.0062893300000000, 0.0142581600000000 ] - [ 0.0000657000000000, -0.0001790900000000, -0.0003307900000000 ] - [ -0.0014354800000000, 0.0009576500000000, -0.0020520800000000 ] - [ 0.0000774000000000, -0.0012158000000000, -0.0001953500000000 ] - [ 0.0003393600000000, -0.0013435400000000, -0.0000355500000000 ] - [ -0.0001118300000000, -0.0000832600000000, -0.0003614300000000 ] - [ 0.0006444400000000, -0.0010112200000000, 0.0005085900000000 ] - [ 0.0010027200000000, 0.0045167000000000, 0.0007855200000000 ] - [ 0.0001355700000000, -0.0013038900000000, 0.0021041800000000 ] - [ -0.0003943900000000, -0.0007326000000000, 0.0005224300000000 ] - [ -0.0005699500000000, -0.0014499100000000, 0.0011143800000000 ] - [ -0.0015876900000000, 0.0014992000000000, 0.0016065500000000 ] - [ -0.0019693200000000, 0.0038363700000000, 0.0027201000000000 ] - [ 0.0002045000000000, -0.0008460900000000, -0.0001754300000000 ] - [ 0.0015036700000000, 0.0020217200000000, 0.0039815400000000 ] - [ 0.0002593000000000, -0.0005941300000000, 0.0000934200000000 ] - [ 0.0019932900000000, 0.0043507300000000, -0.0027060200000000 ] - [ 0.0009235200000000, -0.0004072800000000, -0.0008968800000000 ] - [ -0.0028917300000000, -0.0008064900000000, 0.0026671600000000 ] - [ -0.0004206300000000, -0.0011695000000000, 0.0000979600000000 ] - [ -0.0144721100000000, -0.0188847100000000, 0.0426594900000000 ] - [ -0.0000842500000000, -0.0008360200000000, -0.0001100800000000 ] - [ -0.0005147400000000, 0.0023125200000000, -0.0014146000000000 ] - [ -0.0000284600000000, -0.0008578700000000, 0.0000194300000000 ] - [ 0.0001607000000000, -0.0014299400000000, -0.0005099400000000 ] - [ -0.0006520800000000, 0.0013130800000000, -0.0007489400000000 ] - [ 0.0022477600000000, -0.0023025900000000, 0.0081242100000000 ] - [ -0.0001374200000000, -0.0003537700000000, 0.0000437400000000 ] - [ 0.0257275000000000, -0.0101146600000000, -0.0035837300000000 ] - [ -0.0001782400000000, -0.0002319500000000, -0.0001265900000000 ] - [ -0.0006069500000000, -0.0000881500000000, 0.0002572700000000 ] - [ -0.0024817600000000, -0.0031000100000000, 0.0039237500000000 ] - [ -0.0249983000000000, -0.1028742300000000, 0.2020863600000000 ] - [ 0.0000094600000000, -0.0000671900000000, -0.0000560400000000 ] - [ -0.0023830000000000, -0.0020679100000000, -0.0002908100000000 ] - [ -0.0000711900000000, 0.0007872200000000, -0.0003283100000000 ] - [ 0.0004993700000000, 0.0002135600000000, -0.0009957500000000 ] - [ 0.0000141400000000, 0.0008263800000000, -0.0003107300000000 ] - [ 0.0013503700000000, -0.0008926400000000, 0.0002881500000000 ] - [ 0.0004921500000000, 0.0000850100000000, 0.0001165400000000 ] - [ -0.0003211200000000, 0.0010609500000000, 0.0002455400000000 ] - [ -0.0001029900000000, -0.0010174100000000, 0.0015163900000000 ] - [ -0.0009612300000000, -0.0002788500000000, -0.0015487200000000 ] - [ 0.0001482100000000, 0.0006730100000000, -0.0000944600000000 ] - [ 0.0005357500000000, -0.0004987400000000, 0.0009880100000000 ] - [ 0.0001645100000000, 0.0011556900000000, 0.0001453600000000 ] - [ 0.0009766800000000, -0.0017534300000000, 0.0009509200000000 ] - [ 0.0003709600000000, 0.0003920300000000, 0.0001865700000000 ] - [ -0.0017470300000000, -0.0029433400000000, -0.0003737500000000 ] - [ 0.0002391000000000, 0.0010451700000000, -0.0000386500000000 ] - [ -0.0004038600000000, -0.0001428600000000, 0.0002864300000000 ] - [ 0.0001699700000000, 0.0011169800000000, -0.0001796800000000 ] - [ -0.0001098500000000, 0.0002462400000000, 0.0002927000000000 ] - [ 0.0008569700000000, 0.0034121400000000, 0.0029938000000000 ] - [ 0.0001419300000000, -0.0004718400000000, -0.0009929300000000 ] - [ 0.0006416700000000, -0.0005210400000000, -0.0016292500000000 ] - [ -0.0135023300000000, 0.0088893900000000, -0.0039608100000000 ] - [ 0.0000463600000000, 0.0000625000000000, -0.0001226700000000 ] - [ -0.0015273100000000, 0.0023336700000000, -0.0026387300000000 ] - [ -0.0003418300000000, -0.0000905000000000, -0.0002786000000000 ] - [ 0.0001043800000000, -0.0006786000000000, -0.0006517100000000 ] - [ -0.0002820300000000, 0.0015481100000000, -0.0000197200000000 ] - [ 0.0087489100000000, -0.0033605800000000, -0.0150905600000000 ] - [ 0.0002001300000000, 0.0000337800000000, 0.0000611400000000 ] - [ 0.0065922300000000, -0.0037681500000000, -0.0167237300000000 ] - [ 0.0001324200000000, 0.0006312900000000, 0.0001258000000000 ] - [ -0.0002933100000000, -0.0003055000000000, -0.0002039900000000 ] - [ -0.0007295300000000, -0.0005370000000000, 0.0012350400000000 ] - [ 0.0041240100000000, 0.0012989900000000, -0.0006324100000000 ] - [ 0.0000552300000000, 0.0006278600000000, 0.0002304800000000 ] - [ 0.0032731500000000, -0.0020993800000000, -0.0006265000000000 ] - [ 0.0006831500000000, 0.0001090000000000, -0.0001610900000000 ] - [ 0.0001362100000000, -0.0006659300000000, -0.0023927600000000 ] - [ -0.0000395600000000, 0.0007006100000000, -0.0001038500000000 ] - [ -0.1699622700000000, -0.0043069500000000, 0.1464446700000000 ] - [ 0.0000655800000000, 0.0005844100000000, -0.0000721500000000 ] - [ -0.0006975800000000, -0.0046970100000000, 0.0016181100000000 ] - [ -0.0002748400000000, 0.0003668400000000, 0.0003658800000000 ] - [ -0.0002498800000000, -0.0010476200000000, -0.0041633200000000 ] - [ 0.0001012200000000, 0.0000573100000000, 0.0001084800000000 ] - [ 0.0002989700000000, -0.0017112600000000, -0.0007301100000000 ] - [ 0.0001532400000000, 0.0000080700000000, 0.0003603400000000 ] - [ 0.0000393200000000, 0.0004913600000000, 0.0002598100000000 ] - [ -0.0000546800000000, 0.0017652500000000, 0.0006945600000000 ] - [ -0.0565530100000000, 0.0140205000000000, 0.0431464700000000 ] - [ -0.0002310600000000, -0.0000025600000000, -0.0004812500000000 ] - [ 0.0002199900000000, -0.0009831900000000, -0.0012441000000000 ] - [ 0.0003213300000000, 0.0003929600000000, 0.0004204800000000 ] - [ -0.0005278200000000, 0.0004330700000000, -0.0004944600000000 ] - [ 0.0000631700000000, -0.0005703600000000, -0.0002013000000000 ] - [ 0.0014972700000000, 0.0011297300000000, 0.0080733000000000 ] - [ -0.0000443500000000, 0.0004195900000000, 0.0002906300000000 ] - [ -0.0000692300000000, 0.0010056300000000, -0.0000815900000000 ] - [ 0.0000423200000000, -0.0007879800000000, 0.0001428600000000 ] - [ -0.0022493500000000, 0.0071676000000000, -0.0119771700000000 ] - [ -0.0006645500000000, -0.0004501500000000, -0.0000210100000000 ] - [ 0.0017711200000000, -0.0022260100000000, -0.0056792400000000 ] - [ 0.0001073000000000, 0.0006453600000000, -0.0003354200000000 ] - [ 0.0000075300000000, 0.0003488300000000, -0.0001883300000000 ] - [ -0.0003354100000000, -0.0006454200000000, 0.0006583000000000 ] - [ -0.0009237700000000, 0.0006217300000000, 0.0022194800000000 ] - [ -0.0002460800000000, 0.0001023600000000, 0.0008201700000000 ] - [ -0.0001787700000000, 0.0005205900000000, -0.0001727200000000 ] - [ 0.0005657200000000, -0.0015175300000000, -0.0009456200000000 ] - [ 0.0093044100000000, 0.0137559500000000, -0.0005707300000000 ] - [ -0.0004484800000000, 0.0007899000000000, 0.0002129500000000 ] - [ 0.0008719400000000, -0.0001132900000000, -0.0001051000000000 ] - [ 0.0015272300000000, -0.0018692700000000, -0.0006925700000000 ] - [ 0.0133085100000000, 0.0053583500000000, -0.0066857800000000 ] - [ 0.0003396500000000, 0.0002096800000000, -0.0001172200000000 ]- atom: 13 displacement: [ 0.0045139598196510, 0.0000000000000000, -0.0089232374588249 ] forces: - [ 0.0025441300000000, -0.0024022000000000, -0.0052567300000000 ] - [ 0.0003690300000000, 0.0003445400000000, -0.0000816300000000 ] - [ -0.0054382900000000, -0.0074480400000000, 0.0196978500000000 ] - [ 0.0000577100000000, 0.0010503600000000, 0.0001599900000000 ] - [ -0.0003106100000000, 0.0003526900000000, -0.0003687600000000 ] - [ -0.0016803100000000, 0.0016643900000000, -0.0019098400000000 ] - [ 0.0014562400000000, 0.0019127200000000, 0.0025774700000000 ] - [ -0.0000297200000000, -0.0002748600000000, 0.0001156100000000 ] - [ -0.0006428400000000, -0.0006603500000000, -0.0025616800000000 ] - [ 0.0000848100000000, 0.0012241800000000, -0.0001556000000000 ] - [ -0.0003062600000000, 0.0010061600000000, 0.0005339900000000 ] - [ 0.0001799600000000, 0.0017645600000000, 0.0024265500000000 ] - [ -0.2693245100000000, -0.1135424800000000, 0.4313971000000000 ] - [ 0.0000585300000000, 0.0001735700000000, -0.0003344100000000 ] - [ -0.0039321500000000, 0.0001641700000000, 0.0051210000000000 ] - [ -0.0003979600000000, 0.0011863000000000, 0.0000816300000000 ] - [ 0.0245265300000000, 0.0308300300000000, -0.0493330900000000 ] - [ -0.0000804000000000, 0.0008362000000000, -0.0001133700000000 ] - [ 0.0077228600000000, -0.0014711200000000, -0.0060230400000000 ] - [ -0.0001386000000000, 0.0002449400000000, -0.0000957200000000 ] - [ -0.0001441100000000, 0.0003635400000000, 0.0000467900000000 ] - [ 0.0041344100000000, 0.0064523800000000, 0.0097683700000000 ] - [ -0.0000198900000000, -0.0007881200000000, -0.0010947400000000 ] - [ 0.0000371600000000, 0.0009138300000000, -0.0010626500000000 ] - [ 0.0019634600000000, 0.0003939800000000, -0.0017469900000000 ] - [ 0.0004459600000000, 0.0014598300000000, 0.0001350000000000 ] - [ 0.0067846300000000, -0.0057835200000000, -0.0147843700000000 ] - [ 0.0005020400000000, 0.0006841800000000, -0.0001954800000000 ] - [ 0.0018111900000000, -0.0018363600000000, 0.0017904600000000 ] - [ 0.0002743000000000, 0.0003294200000000, -0.0000383200000000 ] - [ -0.0002810900000000, -0.0000082000000000, -0.0000576900000000 ] - [ 0.0002115800000000, -0.0012787500000000, 0.0002632200000000 ] - [ 0.0001581000000000, 0.0007958200000000, -0.0002878000000000 ] - [ -0.0001864800000000, -0.0047163000000000, -0.0005919800000000 ] - [ -0.0004868100000000, 0.0004205200000000, -0.0018765100000000 ] - [ 0.0000452900000000, -0.0001565700000000, -0.0002860800000000 ] - [ 0.0007690100000000, 0.0005599800000000, -0.0009016400000000 ] - [ 0.0017825400000000, -0.0023707800000000, -0.0013993600000000 ] - [ 0.0027885600000000, -0.0036302400000000, -0.0025075400000000 ] - [ 0.0005969600000000, 0.0010612000000000, 0.0003957700000000 ] - [ -0.0012613200000000, -0.0018062700000000, -0.0037939300000000 ] - [ -0.0000061100000000, 0.0008076200000000, 0.0000983700000000 ] - [ -0.0018096400000000, -0.0034654400000000, 0.0029275800000000 ] - [ -0.0007310300000000, 0.0012910900000000, 0.0011163600000000 ] - [ 0.0028435000000000, -0.0005395500000000, -0.0025745400000000 ] - [ 0.0003625000000000, -0.0001842000000000, -0.0000059700000000 ] - [ 0.0144587100000000, 0.0175808700000000, -0.0426160300000000 ] - [ -0.0001129000000000, -0.0000522500000000, -0.0001032000000000 ] - [ 0.0007659400000000, -0.0025137400000000, 0.0015724800000000 ] - [ 0.0002808000000000, 0.0006397300000000, 0.0001696900000000 ] - [ -0.0007241500000000, 0.0019368100000000, 0.0010364200000000 ] - [ 0.0000907500000000, -0.0008180800000000, 0.0012648000000000 ] - [ -0.0025063300000000, 0.0020759300000000, -0.0083277400000000 ] - [ -0.0001150000000000, 0.0001368800000000, -0.0002337500000000 ] - [ -0.0267054100000000, 0.0103213300000000, 0.0036844800000000 ] - [ -0.0006242600000000, 0.0004459800000000, -0.0000921800000000 ] - [ -0.0000120700000000, -0.0005889000000000, 0.0001925600000000 ] - [ 0.0018273600000000, 0.0024890700000000, -0.0035532200000000 ] - [ 0.0266634700000000, 0.0955343700000000, -0.1931203200000000 ] - [ 0.0001393200000000, -0.0006273700000000, 0.0001280800000000 ] - [ 0.0029943700000000, 0.0027383400000000, -0.0001529000000000 ] - [ 0.0006895200000000, -0.0001093400000000, -0.0001213300000000 ] - [ -0.0008085500000000, 0.0009811200000000, 0.0005329800000000 ] - [ -0.0003231100000000, 0.0003695900000000, -0.0001543100000000 ] - [ -0.0006995300000000, -0.0001345400000000, -0.0003471000000000 ] - [ 0.0001641000000000, -0.0011043500000000, -0.0001785500000000 ] - [ 0.0004471300000000, -0.0004180300000000, 0.0005860900000000 ] - [ 0.0002330100000000, 0.0016665200000000, -0.0006680300000000 ] - [ 0.0014780900000000, 0.0005813600000000, 0.0016082500000000 ] - [ 0.0003575600000000, -0.0003677800000000, 0.0001536000000000 ] - [ -0.0002482900000000, 0.0016886800000000, -0.0005211500000000 ] - [ 0.0001436900000000, 0.0000400600000000, 0.0003198000000000 ] - [ -0.0004661400000000, 0.0014456500000000, -0.0008696500000000 ] - [ 0.0001356300000000, -0.0006954700000000, -0.0001247800000000 ] - [ 0.0028794000000000, 0.0041876000000000, 0.0001721300000000 ] - [ 0.0008732200000000, 0.0001873500000000, -0.0001540300000000 ] - [ 0.0010608800000000, 0.0011620100000000, -0.0003514200000000 ] - [ 0.0004862900000000, -0.0000942500000000, 0.0001173900000000 ] - [ -0.0003966800000000, 0.0000602400000000, -0.0003541600000000 ] - [ -0.0013642900000000, -0.0031108100000000, -0.0030590600000000 ] - [ -0.0002899300000000, -0.0002209100000000, 0.0009220700000000 ] - [ -0.0007887200000000, -0.0001804200000000, 0.0015547500000000 ] - [ 0.0139936400000000, -0.0091018400000000, 0.0036851700000000 ] - [ 0.0003191800000000, -0.0002012300000000, -0.0001155000000000 ] - [ 0.0010284700000000, -0.0026459400000000, 0.0025885900000000 ] - [ -0.0001658400000000, -0.0002130200000000, 0.0002158500000000 ] - [ -0.0003728200000000, 0.0012291000000000, 0.0006605200000000 ] - [ 0.0000139500000000, -0.0010049600000000, 0.0000223800000000 ] - [ -0.0084537700000000, 0.0028371100000000, 0.0150265900000000 ] - [ 0.0000709700000000, -0.0005796000000000, -0.0000667300000000 ] - [ -0.0064683200000000, 0.0044568500000000, 0.0167609900000000 ] - [ 0.0000158700000000, 0.0000657500000000, -0.0000523800000000 ] - [ -0.0000139000000000, -0.0008867700000000, -0.0002615700000000 ] - [ 0.0004207700000000, -0.0006598100000000, -0.0016998900000000 ] - [ -0.0047304200000000, -0.0006147700000000, 0.0010861100000000 ] - [ -0.0006739800000000, 0.0000500800000000, 0.0002198300000000 ] - [ -0.0026643200000000, 0.0014190400000000, 0.0001747000000000 ] - [ -0.0000638800000000, -0.0007864500000000, -0.0002891400000000 ] - [ -0.0001908500000000, 0.0010210100000000, 0.0019835900000000 ] - [ -0.0000162200000000, -0.0003458400000000, -0.0003035100000000 ] - [ 0.1839431300000000, 0.0049499100000000, -0.1544867600000000 ] - [ 0.0002058300000000, -0.0000359500000000, 0.0000642100000000 ] - [ 0.0003308300000000, 0.0045787100000000, -0.0013855700000000 ] - [ -0.0000900000000000, -0.0005065300000000, -0.0001298800000000 ] - [ 0.0003033700000000, 0.0006999000000000, 0.0045764500000000 ] - [ -0.0000453700000000, -0.0004099700000000, 0.0002970200000000 ] - [ 0.0000108700000000, 0.0005164900000000, 0.0011945700000000 ] - [ 0.0001552700000000, -0.0012024500000000, 0.0001055600000000 ] - [ -0.0006925100000000, 0.0005304800000000, -0.0001971500000000 ] - [ -0.0006014800000000, -0.0007441700000000, -0.0006314100000000 ] - [ 0.0576951400000000, -0.0155258300000000, -0.0439635200000000 ] - [ 0.0001010000000000, -0.0006388700000000, -0.0003505000000000 ] - [ -0.0000914500000000, 0.0003445300000000, 0.0020775500000000 ] - [ -0.0001933800000000, -0.0010364600000000, 0.0004095900000000 ] - [ -0.0001280000000000, -0.0014560400000000, 0.0005592500000000 ] - [ -0.0007290200000000, -0.0004468700000000, 0.0002605600000000 ] - [ -0.0014380900000000, -0.0007783900000000, -0.0076851100000000 ] - [ 0.0001008500000000, -0.0000631700000000, 0.0001171600000000 ] - [ -0.0002032500000000, -0.0015498100000000, 0.0000887300000000 ] - [ -0.0003171300000000, 0.0002363400000000, -0.0001278300000000 ] - [ 0.0011365900000000, -0.0084706800000000, 0.0122730100000000 ] - [ -0.0004479300000000, -0.0007798200000000, 0.0002121900000000 ] - [ -0.0018874900000000, 0.0028753400000000, 0.0048548600000000 ] - [ -0.0002355100000000, -0.0000025500000000, -0.0004961600000000 ] - [ -0.0000634600000000, -0.0007024800000000, -0.0002181200000000 ] - [ 0.0002675700000000, 0.0002912600000000, -0.0010519900000000 ] - [ 0.0007777900000000, 0.0000738000000000, -0.0022960700000000 ] - [ 0.0001004400000000, 0.0005984100000000, -0.0008936800000000 ] - [ -0.0001870200000000, -0.0003805600000000, 0.0004102700000000 ] - [ -0.0009382300000000, 0.0016456700000000, 0.0011870400000000 ] - [ -0.0104529400000000, -0.0125114300000000, 0.0007513500000000 ] - [ -0.0006634000000000, 0.0004426400000000, -0.0000217100000000 ] - [ 0.0002408400000000, -0.0011154300000000, -0.0000858100000000 ] - [ -0.0004083600000000, 0.0006308000000000, 0.0005121600000000 ] - [ -0.0129177200000000, -0.0051848400000000, 0.0064271100000000 ] - [ 0.0000269700000000, -0.0000688000000000, -0.0001192900000000 ]- atom: 15 displacement: [ 0.0099999786541794, 0.0000000000000000, -0.0000206619446251 ] forces: - [ 0.0060985000000000, 0.0070132700000000, -0.0146342200000000 ] - [ 0.0001780700000000, -0.0008627800000000, 0.0000634200000000 ] - [ -0.0040413300000000, 0.0025071500000000, -0.0007429400000000 ] - [ -0.0009435600000000, 0.0006668200000000, -0.0006011800000000 ] - [ -0.0000595200000000, -0.0005283900000000, 0.0001458400000000 ] - [ 0.0116380600000000, 0.0105140200000000, 0.0135621300000000 ] - [ -0.0000232200000000, -0.0004439400000000, 0.0000278700000000 ] - [ 0.0017594000000000, -0.0012399300000000, 0.0000742900000000 ] - [ 0.0064436500000000, -0.0286506200000000, 0.0040997400000000 ] - [ 0.0001912600000000, 0.0005907500000000, 0.0003851400000000 ] - [ -0.0005258300000000, -0.0009868300000000, -0.0002643500000000 ] - [ -0.0030950300000000, 0.0118017300000000, -0.0168488300000000 ] - [ 0.0010243100000000, -0.0002118000000000, 0.0044789400000000 ] - [ 0.0002927100000000, -0.0007043400000000, 0.0001542300000000 ] - [ -0.2881594100000000, 0.0076172800000000, -0.0288062000000000 ] - [ -0.0003852900000000, 0.0002343300000000, 0.0000335100000000 ] - [ 0.0030096000000000, -0.0004240300000000, -0.0009188100000000 ] - [ -0.0000026200000000, -0.0000192100000000, -0.0002089900000000 ] - [ 0.0025644200000000, 0.0006024900000000, 0.0000372200000000 ] - [ 0.0010620800000000, -0.0000136400000000, -0.0003405800000000 ] - [ -0.0002688500000000, -0.0003876500000000, -0.0003269200000000 ] - [ -0.0016178900000000, -0.0037346000000000, 0.0009542700000000 ] - [ 0.0004275300000000, -0.0001696000000000, 0.0001568200000000 ] - [ 0.0011323200000000, -0.0009107400000000, -0.0011930200000000 ] - [ 0.0027818200000000, -0.0048804400000000, -0.0011349800000000 ] - [ 0.0027758400000000, 0.0033511700000000, 0.0016767100000000 ] - [ 0.0059449300000000, 0.0025396500000000, -0.0006083100000000 ] - [ 0.0006349700000000, 0.0000238600000000, -0.0005227800000000 ] - [ -0.0002004900000000, 0.0006499900000000, -0.0030787100000000 ] - [ 0.0001032700000000, -0.0011271500000000, -0.0003095600000000 ] - [ -0.0001620800000000, -0.0009677400000000, -0.0000704700000000 ] - [ -0.0043900600000000, 0.0008323200000000, -0.0022803100000000 ] - [ 0.0002936400000000, -0.0001902200000000, 0.0002357100000000 ] - [ 0.0524342400000000, -0.0298635600000000, 0.0121198400000000 ] - [ -0.0003593700000000, -0.0004259100000000, -0.0001828500000000 ] - [ -0.0005871900000000, -0.0033562900000000, -0.0020591200000000 ] - [ 0.0003142100000000, -0.0007116800000000, -0.0000413800000000 ] - [ 0.0148135900000000, -0.0025115800000000, 0.0025314900000000 ] - [ 0.0008203400000000, 0.0004762900000000, -0.0001096100000000 ] - [ -0.0000099400000000, -0.0000459000000000, -0.0007798900000000 ] - [ 0.0017480200000000, -0.0059663700000000, 0.0022941400000000 ] - [ 0.0004546200000000, 0.0006335200000000, 0.0022347500000000 ] - [ 0.0014245500000000, -0.0005422000000000, 0.0012184800000000 ] - [ -0.0015072500000000, -0.0010310000000000, 0.0035984500000000 ] - [ -0.0004772100000000, -0.0002631000000000, -0.0013928000000000 ] - [ 0.0003968400000000, -0.0015877900000000, -0.0007861800000000 ] - [ 0.0016880600000000, 0.0040951100000000, 0.0009638000000000 ] - [ 0.0003509900000000, -0.0017130000000000, 0.0002383400000000 ] - [ 0.0038529300000000, 0.0016778900000000, -0.0006402000000000 ] - [ 0.0001172100000000, -0.0004819200000000, 0.0000148300000000 ] - [ -0.0002384300000000, 0.0002515900000000, 0.0006329000000000 ] - [ 0.0091908400000000, -0.0073350400000000, 0.0048768600000000 ] - [ -0.0009063000000000, 0.0013627800000000, -0.0005476500000000 ] - [ 0.0000841600000000, -0.0027065300000000, 0.0001186500000000 ] - [ 0.0005511600000000, -0.0002165100000000, 0.0040233200000000 ] - [ -0.0003605500000000, -0.0001505700000000, 0.0001698200000000 ] - [ -0.0002531900000000, -0.0001285800000000, 0.0000707600000000 ] - [ 0.0011124300000000, -0.0008558800000000, -0.0028347300000000 ] - [ -0.0009674900000000, -0.0024479100000000, -0.0026112400000000 ] - [ 0.0002437500000000, 0.0001886000000000, -0.0004572100000000 ] - [ 0.0804201400000000, 0.0039897700000000, -0.0190645800000000 ] - [ 0.0005352800000000, 0.0004933900000000, -0.0003212400000000 ] - [ 0.0001173300000000, 0.0003945200000000, 0.0001764100000000 ] - [ -0.0003888900000000, 0.0021017800000000, 0.0011023400000000 ] - [ 0.0006382800000000, -0.0007645700000000, 0.0006723100000000 ] - [ 0.0003294500000000, 0.0002696600000000, 0.0003409300000000 ] - [ 0.0000542700000000, 0.0004245200000000, 0.0002707100000000 ] - [ -0.0088423600000000, 0.0148136200000000, -0.0134441500000000 ] - [ -0.0044282400000000, 0.0122401900000000, -0.0083393800000000 ] - [ 0.0001921900000000, 0.0000271300000000, -0.0005286000000000 ] - [ 0.0025218000000000, -0.0007803400000000, 0.0029490300000000 ] - [ 0.0002591800000000, 0.0009792600000000, 0.0001964600000000 ] - [ -0.0011095400000000, -0.0004888600000000, 0.0019910100000000 ] - [ 0.0002682500000000, 0.0002042200000000, 0.0002261200000000 ] - [ -0.0007738300000000, 0.0027702700000000, -0.0030364100000000 ] - [ 0.0003251600000000, 0.0014274400000000, -0.0018482000000000 ] - [ 0.0734512300000000, -0.0242740200000000, 0.0354880900000000 ] - [ 0.0003878100000000, 0.0005624600000000, -0.0001438600000000 ] - [ -0.0000449300000000, 0.0007823700000000, 0.0004526900000000 ] - [ 0.0039826900000000, 0.0022768900000000, 0.0078170900000000 ] - [ -0.0003435500000000, -0.0001761800000000, 0.0001007900000000 ] - [ -0.0050942000000000, 0.0007896500000000, 0.0019079500000000 ] - [ -0.0021131700000000, 0.0004773400000000, -0.0023897600000000 ] - [ 0.0000854800000000, 0.0001361700000000, -0.0002498600000000 ] - [ 0.0001637800000000, -0.0009207600000000, 0.0002421900000000 ] - [ 0.0002843300000000, 0.0027247600000000, 0.0005055600000000 ] - [ -0.0007330700000000, 0.0006300500000000, 0.0000132400000000 ] - [ -0.0012995800000000, -0.0006137000000000, -0.0011985700000000 ] - [ -0.0037037000000000, -0.0037174300000000, 0.0003070300000000 ] - [ -0.0001955500000000, 0.0001893400000000, 0.0002618400000000 ] - [ -0.0033370700000000, -0.0003313500000000, 0.0009801300000000 ] - [ -0.0000418700000000, 0.0006193900000000, 0.0002805000000000 ] - [ 0.0000216600000000, 0.0001379500000000, -0.0003287100000000 ] - [ 0.0531750100000000, 0.0193370900000000, 0.0074438700000000 ] - [ -0.0030650000000000, 0.0006722000000000, 0.0006596600000000 ] - [ -0.0023550400000000, -0.0001474900000000, 0.0003033300000000 ] - [ 0.0001457800000000, -0.0007351300000000, 0.0001801500000000 ] - [ 0.0002491200000000, -0.0001172400000000, 0.0004900000000000 ] - [ -0.0006673700000000, 0.0029803600000000, -0.0000901200000000 ] - [ -0.0006750900000000, -0.0014710900000000, -0.0017701300000000 ] - [ 0.0007655500000000, 0.0006238200000000, -0.0004044200000000 ] - [ 0.0002555500000000, 0.0004933600000000, -0.0001020200000000 ] - [ -0.0007080200000000, -0.0002395500000000, -0.0000333700000000 ] - [ 0.0004928300000000, 0.0002175700000000, -0.0000698500000000 ] - [ 0.0005976700000000, -0.0016112600000000, 0.0010172200000000 ] - [ -0.0000714500000000, 0.0010620900000000, 0.0009590100000000 ] - [ 0.0003464600000000, 0.0122891600000000, 0.0053668600000000 ] - [ 0.0001037000000000, -0.0015966400000000, -0.0001544000000000 ] - [ 0.0002378700000000, 0.0029316500000000, 0.0013508100000000 ] - [ -0.0034013900000000, -0.0080091200000000, 0.0024272200000000 ] - [ -0.0011267700000000, 0.0002615200000000, -0.0028621500000000 ] - [ -0.0001788100000000, -0.0000417300000000, -0.0006623200000000 ] - [ -0.0002458100000000, -0.0005787200000000, 0.0004177700000000 ] - [ -0.0002596500000000, 0.0000234600000000, 0.0010188300000000 ] - [ -0.0002588000000000, -0.0004704000000000, 0.0000780500000000 ] - [ 0.0018388300000000, 0.0008691700000000, 0.0040345200000000 ] - [ 0.0449889100000000, -0.0011423800000000, 0.0011528700000000 ] - [ 0.0001183600000000, 0.0004028100000000, 0.0002802100000000 ] - [ -0.0001969700000000, -0.0002496000000000, -0.0001073700000000 ] - [ -0.0056790600000000, 0.0017264700000000, -0.0005722800000000 ] - [ -0.0000457800000000, -0.0021410800000000, 0.0005351000000000 ] - [ -0.0006505500000000, 0.0007463900000000, -0.0003399000000000 ] - [ -0.0036284000000000, -0.0009348900000000, -0.0012135800000000 ] - [ -0.0004191700000000, 0.0003119900000000, -0.0003540600000000 ] - [ -0.0000161400000000, 0.0000247500000000, -0.0001809700000000 ] - [ -0.0001777900000000, -0.0009987600000000, 0.0008251100000000 ] - [ -0.0001722000000000, 0.0006896300000000, -0.0007472200000000 ] - [ -0.0016273600000000, 0.0039389700000000, -0.0047712900000000 ] - [ -0.0002393200000000, 0.0002034100000000, 0.0000408100000000 ] - [ -0.0243814600000000, 0.0065548100000000, 0.0031412500000000 ] - [ -0.0034179800000000, 0.0010009900000000, 0.0029067100000000 ] - [ -0.0004772600000000, 0.0009168200000000, 0.0003376400000000 ] - [ 0.0005080900000000, -0.0004142400000000, 0.0000326000000000 ] - [ -0.0068764000000000, -0.0030633900000000, -0.0016991300000000 ] - [ -0.0021845200000000, -0.0011568100000000, -0.0003176500000000 ] - [ -0.0006211400000000, 0.0006104300000000, 0.0002053000000000 ]- atom: 15 displacement: [ -0.0099999786541794, 0.0000000000000000, 0.0000206619446251 ] forces: - [ -0.0056766900000000, -0.0076738500000000, 0.0147874300000000 ] - [ 0.0002945800000000, 0.0002092600000000, 0.0000406900000000 ] - [ 0.0045360600000000, -0.0018142500000000, 0.0008520600000000 ] - [ 0.0014266900000000, -0.0000216800000000, 0.0007108300000000 ] - [ -0.0004141900000000, 0.0011808700000000, -0.0002501800000000 ] - [ -0.0121256000000000, -0.0097854400000000, -0.0135983400000000 ] - [ -0.0004498000000000, -0.0002135000000000, -0.0001336000000000 ] - [ -0.0022460300000000, 0.0005979900000000, -0.0001800100000000 ] - [ -0.0060109900000000, 0.0294654500000000, -0.0042206400000000 ] - [ 0.0001612100000000, 0.0002875200000000, -0.0006238800000000 ] - [ 0.0001735900000000, 0.0018718800000000, 0.0004995100000000 ] - [ 0.0027540400000000, -0.0109664100000000, 0.0171249800000000 ] - [ -0.0004395400000000, -0.0002963700000000, -0.0050334200000000 ] - [ 0.0002761100000000, 0.0001973500000000, -0.0006792700000000 ] - [ 0.2961723500000000, -0.0052203500000000, 0.0214626400000000 ] - [ 0.0003275600000000, 0.0011148000000000, 0.0000600300000000 ] - [ -0.0031786400000000, 0.0013373600000000, 0.0007288200000000 ] - [ -0.0001945900000000, 0.0009056300000000, -0.0000044200000000 ] - [ -0.0033704500000000, -0.0008251200000000, -0.0002571200000000 ] - [ -0.0018735600000000, -0.0002037900000000, 0.0001215000000000 ] - [ 0.0000146700000000, 0.0006024000000000, 0.0001353500000000 ] - [ 0.0013968700000000, 0.0039450500000000, -0.0010537600000000 ] - [ -0.0009963500000000, -0.0003384400000000, 0.0003682100000000 ] - [ -0.0016978200000000, 0.0004072200000000, 0.0017300400000000 ] - [ -0.0027246100000000, 0.0062279500000000, 0.0010452500000000 ] - [ -0.0027420400000000, -0.0020297800000000, -0.0017827600000000 ] - [ -0.0053848300000000, -0.0020318600000000, 0.0001013500000000 ] - [ -0.0000690100000000, 0.0004828400000000, -0.0000007400000000 ] - [ 0.0005417500000000, -0.0015485800000000, 0.0028234000000000 ] - [ 0.0002488700000000, 0.0002422700000000, 0.0000765200000000 ] - [ 0.0002224800000000, -0.0003847000000000, -0.0000220900000000 ] - [ 0.0044556400000000, -0.0021882800000000, 0.0021757500000000 ] - [ 0.0005091900000000, -0.0000282100000000, -0.0000143000000000 ] - [ -0.0524018700000000, 0.0297337900000000, -0.0116417800000000 ] - [ 0.0000078400000000, -0.0004609700000000, 0.0004193700000000 ] - [ 0.0002365900000000, 0.0024817000000000, 0.0023007800000000 ] - [ -0.0001177200000000, -0.0001770700000000, 0.0002562200000000 ] - [ -0.0146378600000000, 0.0016584600000000, -0.0022873300000000 ] - [ -0.0000177800000000, -0.0002587200000000, 0.0003320200000000 ] - [ 0.0008164000000000, 0.0002579100000000, 0.0010086900000000 ] - [ -0.0015073400000000, 0.0061790000000000, -0.0020971400000000 ] - [ -0.0002029200000000, -0.0004236600000000, -0.0020584700000000 ] - [ -0.0012249900000000, 0.0014300000000000, -0.0010060500000000 ] - [ 0.0017162400000000, 0.0019322800000000, -0.0034037700000000 ] - [ 0.0004111000000000, -0.0010914100000000, 0.0014885100000000 ] - [ -0.0004611900000000, 0.0002390500000000, 0.0008838800000000 ] - [ -0.0018881900000000, -0.0049982100000000, -0.0011775800000000 ] - [ -0.0005484600000000, 0.0008310000000000, -0.0004533800000000 ] - [ -0.0035915500000000, -0.0018952900000000, 0.0007926600000000 ] - [ 0.0001362400000000, 0.0002641300000000, 0.0001769900000000 ] - [ -0.0003283600000000, 0.0002537400000000, -0.0001087600000000 ] - [ -0.0098221800000000, 0.0078944500000000, -0.0043806300000000 ] - [ 0.0006544100000000, -0.0015837300000000, 0.0003586700000000 ] - [ -0.0003381300000000, 0.0025007600000000, -0.0003121700000000 ] - [ -0.0013481300000000, 0.0004324300000000, -0.0042594600000000 ] - [ -0.0004406400000000, 0.0003659600000000, -0.0003907200000000 ] - [ -0.0003645300000000, -0.0005485000000000, 0.0003791900000000 ] - [ -0.0017340300000000, 0.0001799200000000, 0.0032937800000000 ] - [ 0.0011171900000000, 0.0017620700000000, 0.0027029800000000 ] - [ -0.0000961800000000, -0.0008859700000000, 0.0005306400000000 ] - [ -0.0887595500000000, -0.0034953000000000, 0.0220513500000000 ] - [ 0.0000783200000000, 0.0001844800000000, -0.0001269700000000 ] - [ -0.0004248200000000, 0.0007994200000000, -0.0006417300000000 ] - [ 0.0000829100000000, -0.0009140400000000, -0.0015740100000000 ] - [ 0.0000240500000000, -0.0002470500000000, -0.0007267800000000 ] - [ 0.0003286900000000, -0.0012923500000000, -0.0004034400000000 ] - [ 0.0000737200000000, 0.0002189800000000, 0.0005593700000000 ] - [ 0.0090614900000000, -0.0142742500000000, 0.0143510400000000 ] - [ 0.0049137200000000, -0.0119853500000000, 0.0084297400000000 ] - [ 0.0003156500000000, 0.0002797600000000, 0.0005923500000000 ] - [ -0.0022102900000000, 0.0019767000000000, -0.0024800800000000 ] - [ 0.0000495600000000, 0.0002153400000000, 0.0002687900000000 ] - [ 0.0016162200000000, 0.0001970100000000, -0.0019087500000000 ] - [ 0.0002401500000000, -0.0005084100000000, -0.0001651200000000 ] - [ 0.0018895800000000, -0.0015400900000000, 0.0028510400000000 ] - [ 0.0007883600000000, -0.0001999900000000, 0.0016711200000000 ] - [ -0.0712240300000000, 0.0233761300000000, -0.0332553900000000 ] - [ 0.0002680500000000, 0.0004636100000000, 0.0000826700000000 ] - [ -0.0004631200000000, -0.0004785500000000, -0.0005129400000000 ] - [ -0.0044804700000000, -0.0019263600000000, -0.0079302000000000 ] - [ 0.0001941000000000, -0.0005194200000000, -0.0001730200000000 ] - [ 0.0049456300000000, -0.0014929400000000, -0.0019947900000000 ] - [ 0.0024679900000000, -0.0006186700000000, 0.0021515400000000 ] - [ 0.0002797800000000, -0.0002749500000000, 0.0000120600000000 ] - [ -0.0006732500000000, 0.0006207000000000, -0.0003034800000000 ] - [ -0.0007950800000000, -0.0030432100000000, -0.0005713400000000 ] - [ 0.0004635400000000, -0.0000829200000000, -0.0000068800000000 ] - [ 0.0010275600000000, 0.0011588500000000, 0.0012058700000000 ] - [ 0.0039872400000000, 0.0031804800000000, -0.0003217800000000 ] - [ 0.0004672800000000, -0.0007375400000000, -0.0002697400000000 ] - [ 0.0034917200000000, 0.0010201300000000, -0.0009274700000000 ] - [ 0.0001919800000000, 0.0000770300000000, -0.0002090100000000 ] - [ -0.0003304100000000, -0.0013307100000000, -0.0001363500000000 ] - [ -0.0533431400000000, -0.0198313700000000, -0.0077171700000000 ] - [ 0.0024527100000000, 0.0000088600000000, -0.0002100700000000 ] - [ 0.0017522000000000, 0.0008285300000000, 0.0001452700000000 ] - [ 0.0004755000000000, 0.0000547800000000, -0.0006339000000000 ] - [ 0.0003696500000000, -0.0005593300000000, -0.0009457000000000 ] - [ 0.0006153900000000, -0.0026274000000000, -0.0003217600000000 ] - [ 0.0006278400000000, 0.0018397400000000, 0.0013789600000000 ] - [ -0.0005220100000000, -0.0000858400000000, 0.0003987300000000 ] - [ 0.0000133000000000, 0.0000549500000000, 0.0000935800000000 ] - [ 0.0003383700000000, 0.0000974600000000, 0.0002682800000000 ] - [ -0.0008670700000000, -0.0003586100000000, 0.0003070400000000 ] - [ -0.0005428700000000, 0.0012602500000000, -0.0006143100000000 ] - [ 0.0001269700000000, -0.0014222800000000, -0.0005558500000000 ] - [ -0.0000253900000000, -0.0134689800000000, -0.0049000300000000 ] - [ 0.0002067000000000, 0.0004144200000000, 0.0006256500000000 ] - [ -0.0008932400000000, -0.0019105300000000, -0.0012892900000000 ] - [ 0.0027241600000000, 0.0091337300000000, -0.0023967200000000 ] - [ 0.0009939700000000, -0.0009007700000000, 0.0020421500000000 ] - [ 0.0000491300000000, -0.0006002400000000, -0.0001678600000000 ] - [ 0.0003750600000000, -0.0000636800000000, 0.0004111200000000 ] - [ 0.0003855100000000, -0.0006684000000000, -0.0001952700000000 ] - [ -0.0003980900000000, -0.0005495700000000, -0.0000168500000000 ] - [ -0.0025001300000000, -0.0019000600000000, -0.0039885900000000 ] - [ -0.0449617300000000, 0.0016829100000000, 0.0002789100000000 ] - [ -0.0000641900000000, -0.0000457200000000, 0.0001267000000000 ] - [ -0.0000733500000000, -0.0002964100000000, 0.0001141500000000 ] - [ 0.0054300900000000, -0.0022862600000000, 0.0005741700000000 ] - [ -0.0010704600000000, 0.0009146400000000, -0.0003484300000000 ] - [ -0.0004631900000000, -0.0019854800000000, 0.0005310200000000 ] - [ 0.0035048800000000, 0.0015807800000000, 0.0003792400000000 ] - [ 0.0002932200000000, 0.0003315800000000, -0.0004770800000000 ] - [ -0.0000383500000000, -0.0003794500000000, -0.0002267000000000 ] - [ 0.0001259600000000, 0.0006389400000000, -0.0012178000000000 ] - [ 0.0000220700000000, 0.0000069200000000, 0.0006758900000000 ] - [ 0.0014867900000000, -0.0032657900000000, 0.0047261400000000 ] - [ -0.0001262800000000, -0.0000640200000000, 0.0001971600000000 ] - [ 0.0239416800000000, -0.0063538500000000, -0.0029456700000000 ] - [ 0.0022599700000000, 0.0002406600000000, -0.0028130000000000 ] - [ -0.0006351300000000, 0.0003163300000000, -0.0001488500000000 ] - [ 0.0006056600000000, -0.0008171200000000, -0.0002227300000000 ] - [ 0.0079740000000000, 0.0018243300000000, 0.0015207400000000 ] - [ 0.0025542600000000, 0.0013004400000000, 0.0000794600000000 ] - [ 0.0009923400000000, -0.0004739100000000, -0.0004453300000000 ]- atom: 15 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0021831700000000, -0.0038342500000000, -0.0006462000000000 ] - [ 0.0004754600000000, 0.0021286600000000, 0.0000017600000000 ] - [ 0.0032370100000000, 0.0061260900000000, 0.0068210900000000 ] - [ -0.0017835400000000, 0.0046799000000000, -0.0016209500000000 ] - [ -0.0000270700000000, 0.0035968900000000, -0.0002478500000000 ] - [ 0.0096884900000000, -0.0127252200000000, 0.0132949800000000 ] - [ -0.0004942100000000, 0.0015570400000000, 0.0002446700000000 ] - [ 0.0012671000000000, -0.0008556900000000, -0.0009285100000000 ] - [ -0.0127161900000000, 0.0377108900000000, -0.0171093400000000 ] - [ -0.0001956100000000, 0.0050226200000000, 0.0006579800000000 ] - [ 0.0004767800000000, 0.0051167300000000, 0.0007280000000000 ] - [ -0.0018753600000000, 0.0435678400000000, -0.0439097100000000 ] - [ 0.0020771300000000, -0.0020946200000000, 0.0012142200000000 ] - [ -0.0004062900000000, 0.0014865800000000, -0.0011837700000000 ] - [ 0.0029488900000000, -0.3229117800000000, 0.0187501300000000 ] - [ -0.0004722600000000, 0.0038728100000000, -0.0005454200000000 ] - [ -0.0001050500000000, -0.0016289400000000, 0.0007126100000000 ] - [ 0.0000114900000000, 0.0029172900000000, 0.0000781700000000 ] - [ -0.0023494700000000, -0.0001398600000000, 0.0003244700000000 ] - [ 0.0019454900000000, 0.0020665700000000, 0.0008387200000000 ] - [ 0.0003235700000000, 0.0030831900000000, 0.0000470000000000 ] - [ -0.0027794600000000, -0.0316991500000000, -0.0047221300000000 ] - [ -0.0002631100000000, 0.0013405100000000, 0.0011524200000000 ] - [ -0.0002229400000000, -0.0017453300000000, -0.0000277100000000 ] - [ -0.0026506900000000, 0.0094548500000000, 0.0012014700000000 ] - [ 0.0056009100000000, 0.0094786800000000, 0.0047794000000000 ] - [ -0.0015978200000000, -0.0016767600000000, -0.0010622700000000 ] - [ 0.0011284000000000, 0.0020795000000000, 0.0007169500000000 ] - [ -0.0001998400000000, -0.0021989600000000, 0.0004894600000000 ] - [ 0.0004946900000000, 0.0024586500000000, -0.0000283600000000 ] - [ -0.0002624300000000, 0.0017211500000000, -0.0004011800000000 ] - [ 0.0015380000000000, -0.0056435800000000, -0.0002159300000000 ] - [ -0.0000217400000000, 0.0016032600000000, -0.0006539500000000 ] - [ -0.0093143300000000, -0.0046731300000000, 0.0085611500000000 ] - [ -0.0004176400000000, 0.0025538600000000, -0.0004017900000000 ] - [ -0.0002335600000000, -0.0038196600000000, 0.0028412700000000 ] - [ 0.0000250900000000, 0.0019798100000000, 0.0004422100000000 ] - [ 0.0009138900000000, -0.0047118600000000, -0.0003341800000000 ] - [ 0.0003819900000000, 0.0011673900000000, 0.0009605700000000 ] - [ 0.0001504000000000, 0.0006405500000000, -0.0012928600000000 ] - [ -0.0021069300000000, 0.0069053100000000, -0.0025755300000000 ] - [ 0.0003567200000000, 0.0033426700000000, 0.0032909000000000 ] - [ -0.0006804700000000, 0.0032571200000000, -0.0008213100000000 ] - [ -0.0004430100000000, -0.0005579400000000, 0.0002735900000000 ] - [ -0.0004418200000000, 0.0002649200000000, -0.0003731400000000 ] - [ 0.0008853500000000, 0.0003410500000000, 0.0002566600000000 ] - [ 0.0007583300000000, -0.0007413600000000, -0.0010347300000000 ] - [ -0.0003551300000000, 0.0016269700000000, -0.0003517300000000 ] - [ -0.0006067300000000, -0.0066133100000000, -0.0004253200000000 ] - [ 0.0005266100000000, 0.0025068700000000, 0.0003468500000000 ] - [ -0.0007666100000000, 0.0019739500000000, -0.0007308100000000 ] - [ -0.0018231000000000, 0.0004777800000000, 0.0001568900000000 ] - [ 0.0001209400000000, 0.0019380200000000, -0.0007896900000000 ] - [ -0.0011207000000000, 0.0019117600000000, 0.0003650800000000 ] - [ 0.0003114800000000, -0.0032210700000000, -0.0007773900000000 ] - [ -0.0008122600000000, 0.0018836900000000, -0.0007693000000000 ] - [ 0.0001422000000000, -0.0016849000000000, 0.0005920100000000 ] - [ -0.0013628700000000, 0.0034158000000000, 0.0005810000000000 ] - [ -0.0014834300000000, -0.0000155700000000, -0.0007611300000000 ] - [ 0.0003839200000000, -0.0016865700000000, 0.0008979400000000 ] - [ 0.0034185900000000, 0.0468680100000000, -0.0091443100000000 ] - [ 0.0008397700000000, -0.0010635800000000, 0.0001762400000000 ] - [ -0.0000477200000000, -0.0009127600000000, -0.0004741200000000 ] - [ -0.0006589100000000, 0.0009790000000000, -0.0003202400000000 ] - [ 0.0004592300000000, 0.0001605200000000, -0.0000692300000000 ] - [ -0.0001498800000000, -0.0024998900000000, -0.0003302200000000 ] - [ 0.0005990900000000, -0.0010681700000000, 0.0012028000000000 ] - [ 0.0022988000000000, 0.0036951900000000, -0.0001677700000000 ] - [ 0.0026771100000000, -0.0095220900000000, 0.0084953400000000 ] - [ 0.0005722900000000, -0.0023530000000000, -0.0002255900000000 ] - [ -0.0000064000000000, 0.0035398200000000, 0.0001834200000000 ] - [ 0.0000220200000000, -0.0014758400000000, 0.0006335600000000 ] - [ 0.0019981300000000, 0.0027062700000000, -0.0000421300000000 ] - [ -0.0002000800000000, -0.0021690900000000, -0.0004329700000000 ] - [ 0.0019271900000000, -0.0020767500000000, 0.0028821600000000 ] - [ 0.0003400700000000, 0.0004687700000000, -0.0014370200000000 ] - [ -0.0197048800000000, 0.0710280400000000, -0.0229694100000000 ] - [ 0.0008289800000000, -0.0031841700000000, 0.0005933600000000 ] - [ -0.0008331700000000, -0.0024717300000000, -0.0010306200000000 ] - [ 0.0055345200000000, 0.0159755900000000, 0.0208920900000000 ] - [ 0.0000856300000000, -0.0017928000000000, -0.0009525000000000 ] - [ -0.0013860200000000, 0.0012654200000000, 0.0006183200000000 ] - [ -0.0005537800000000, 0.0027926400000000, -0.0004306300000000 ] - [ 0.0005277600000000, -0.0013285400000000, 0.0002274800000000 ] - [ -0.0000516800000000, -0.0018512700000000, 0.0006843200000000 ] - [ 0.0013574600000000, -0.0002650700000000, -0.0019193300000000 ] - [ 0.0002620900000000, -0.0012803100000000, -0.0005229500000000 ] - [ -0.0004415300000000, 0.0010410100000000, -0.0001928900000000 ] - [ 0.0005955600000000, 0.0009991400000000, 0.0003655100000000 ] - [ 0.0000677900000000, -0.0016342800000000, -0.0005371000000000 ] - [ 0.0005873300000000, 0.0016432600000000, 0.0006629300000000 ] - [ -0.0000142200000000, -0.0010892000000000, -0.0009195900000000 ] - [ -0.0004308800000000, -0.0036003200000000, 0.0003645600000000 ] - [ 0.0207487100000000, 0.1018893300000000, 0.0085907400000000 ] - [ 0.0022581600000000, -0.0011447800000000, -0.0006409100000000 ] - [ -0.0042538900000000, -0.0019682900000000, -0.0002730600000000 ] - [ 0.0004922100000000, -0.0009636100000000, -0.0008921800000000 ] - [ 0.0000330200000000, -0.0010348600000000, 0.0005855900000000 ] - [ 0.0007354000000000, -0.0036624900000000, 0.0000926800000000 ] - [ -0.0016635200000000, -0.0035202500000000, -0.0039746400000000 ] - [ -0.0001906000000000, 0.0016071400000000, -0.0014395200000000 ] - [ 0.0002504500000000, -0.0012175800000000, 0.0007842800000000 ] - [ -0.0002210700000000, -0.0010104000000000, -0.0003700800000000 ] - [ 0.0003763600000000, -0.0003729700000000, 0.0007471300000000 ] - [ -0.0004385700000000, -0.0008806500000000, 0.0006026800000000 ] - [ -0.0000490600000000, -0.0013385000000000, -0.0002548800000000 ] - [ 0.0024664900000000, -0.0140045400000000, -0.0033693100000000 ] - [ -0.0000217000000000, -0.0052189100000000, -0.0013623500000000 ] - [ -0.0009991300000000, -0.0045453100000000, -0.0017184100000000 ] - [ -0.0009673200000000, -0.0183315200000000, 0.0022881400000000 ] - [ -0.0009708800000000, 0.0016909900000000, -0.0011297700000000 ] - [ 0.0005326400000000, -0.0016932100000000, 0.0003279000000000 ] - [ -0.0002552700000000, -0.0013610900000000, -0.0002391400000000 ] - [ 0.0005297500000000, 0.0002219600000000, 0.0010670500000000 ] - [ -0.0000039700000000, -0.0030204100000000, 0.0006424800000000 ] - [ -0.0006813400000000, 0.0036617600000000, -0.0015692500000000 ] - [ -0.0020771000000000, 0.0712873800000000, 0.0243604600000000 ] - [ 0.0000591000000000, -0.0018114700000000, 0.0005721800000000 ] - [ -0.0001552600000000, -0.0015767900000000, 0.0005603900000000 ] - [ 0.0006647000000000, 0.0008948000000000, -0.0008309300000000 ] - [ -0.0012348000000000, -0.0013752000000000, 0.0006901000000000 ] - [ 0.0005145200000000, -0.0017499300000000, 0.0003468100000000 ] - [ 0.0018418400000000, 0.0006627200000000, -0.0000423100000000 ] - [ -0.0011658500000000, -0.0012771700000000, -0.0014526100000000 ] - [ -0.0000003300000000, -0.0017715700000000, 0.0000183900000000 ] - [ -0.0008491400000000, 0.0030811900000000, 0.0000142200000000 ] - [ -0.0000533100000000, -0.0011811300000000, 0.0012322900000000 ] - [ 0.0003061800000000, 0.0009154000000000, -0.0002409700000000 ] - [ 0.0002003000000000, -0.0010807400000000, 0.0004352400000000 ] - [ -0.0035189500000000, 0.0018184900000000, -0.0019005700000000 ] - [ -0.0001029000000000, 0.0064978500000000, -0.0040586400000000 ] - [ -0.0010336300000000, -0.0009949100000000, -0.0005439200000000 ] - [ 0.0001263000000000, -0.0021624000000000, -0.0007240300000000 ] - [ 0.0004305200000000, 0.0028053600000000, 0.0007542300000000 ] - [ 0.0007904100000000, 0.0000164600000000, -0.0004682600000000 ] - [ -0.0009315300000000, -0.0006816600000000, 0.0000418600000000 ]- atom: 15 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0016975400000000, 0.0032120000000000, 0.0007250900000000 ] - [ -0.0000025400000000, -0.0027787900000000, 0.0001018500000000 ] - [ -0.0027879600000000, -0.0055420600000000, -0.0067808500000000 ] - [ 0.0022552300000000, -0.0040181900000000, 0.0017234900000000 ] - [ -0.0004449900000000, -0.0029397200000000, 0.0001451400000000 ] - [ -0.0101402600000000, 0.0133205900000000, -0.0133819600000000 ] - [ 0.0000227500000000, -0.0022059000000000, -0.0003512000000000 ] - [ -0.0017341900000000, 0.0001952000000000, 0.0008255700000000 ] - [ 0.0133884800000000, -0.0369076900000000, 0.0172635900000000 ] - [ 0.0005478200000000, -0.0041315600000000, -0.0008892000000000 ] - [ -0.0008300400000000, -0.0042343200000000, -0.0004958700000000 ] - [ 0.0017955400000000, -0.0419828800000000, 0.0440267300000000 ] - [ -0.0015131700000000, 0.0016005500000000, -0.0017457600000000 ] - [ 0.0009731000000000, -0.0019921000000000, 0.0006584800000000 ] - [ -0.0098812200000000, 0.3157635000000000, -0.0208158300000000 ] - [ 0.0004110800000000, -0.0025195600000000, 0.0006375400000000 ] - [ -0.0000771300000000, 0.0025300000000000, -0.0009302200000000 ] - [ -0.0002087600000000, -0.0020278300000000, -0.0002920300000000 ] - [ 0.0015554500000000, -0.0000637600000000, -0.0005349300000000 ] - [ -0.0027430200000000, -0.0022800900000000, -0.0010579600000000 ] - [ -0.0005773300000000, -0.0028656000000000, -0.0002388900000000 ] - [ 0.0024729600000000, 0.0316310200000000, 0.0045260100000000 ] - [ -0.0003051000000000, -0.0018451600000000, -0.0006265800000000 ] - [ -0.0003473500000000, 0.0012241800000000, 0.0005413900000000 ] - [ 0.0027250900000000, -0.0081415600000000, -0.0012878000000000 ] - [ -0.0055280600000000, -0.0081171300000000, -0.0048593600000000 ] - [ 0.0021684000000000, 0.0021924400000000, 0.0005426000000000 ] - [ -0.0005601600000000, -0.0015713100000000, -0.0012411600000000 ] - [ 0.0005508500000000, 0.0013280500000000, -0.0007282000000000 ] - [ -0.0001421700000000, -0.0033408500000000, -0.0002055900000000 ] - [ 0.0003215900000000, -0.0030694900000000, 0.0003075800000000 ] - [ -0.0014819000000000, 0.0042801300000000, 0.0001177000000000 ] - [ 0.0008227800000000, -0.0018176600000000, 0.0008738400000000 ] - [ 0.0101118600000000, 0.0042585500000000, -0.0082984500000000 ] - [ 0.0000657600000000, -0.0034339700000000, 0.0006381300000000 ] - [ -0.0001163200000000, 0.0029075600000000, -0.0025920000000000 ] - [ 0.0001719400000000, -0.0028636700000000, -0.0002279100000000 ] - [ -0.0006886100000000, 0.0038048400000000, 0.0005598300000000 ] - [ 0.0004208900000000, -0.0009502700000000, -0.0007429600000000 ] - [ 0.0006487200000000, -0.0004187700000000, 0.0015027200000000 ] - [ 0.0023456000000000, -0.0066596500000000, 0.0027763300000000 ] - [ -0.0001017900000000, -0.0031217300000000, -0.0030916400000000 ] - [ 0.0008702700000000, -0.0023633500000000, 0.0010313600000000 ] - [ 0.0006326200000000, 0.0014370300000000, -0.0000579500000000 ] - [ 0.0003884600000000, -0.0016094200000000, 0.0004661300000000 ] - [ -0.0009415800000000, -0.0016919700000000, -0.0001622100000000 ] - [ -0.0009656300000000, -0.0001359500000000, 0.0008296700000000 ] - [ 0.0001558000000000, -0.0025113500000000, 0.0001361000000000 ] - [ 0.0008496900000000, 0.0063907400000000, 0.0006249700000000 ] - [ -0.0002723400000000, -0.0027204500000000, -0.0001558300000000 ] - [ 0.0001970000000000, -0.0014643800000000, 0.0012535300000000 ] - [ 0.0012537000000000, 0.0000308400000000, 0.0003746100000000 ] - [ -0.0003748300000000, -0.0021498400000000, 0.0006066500000000 ] - [ 0.0008627300000000, -0.0021198800000000, -0.0005573800000000 ] - [ -0.0011132400000000, 0.0034314500000000, 0.0005506000000000 ] - [ 0.0000102000000000, -0.0016658000000000, 0.0005479300000000 ] - [ -0.0007602500000000, 0.0010057400000000, -0.0001417900000000 ] - [ 0.0007475700000000, -0.0040846700000000, -0.0001321500000000 ] - [ 0.0016449300000000, -0.0006866500000000, 0.0008390900000000 ] - [ -0.0002351700000000, 0.0009887100000000, -0.0008238400000000 ] - [ -0.0019714500000000, -0.0460563200000000, 0.0084808800000000 ] - [ -0.0002214800000000, 0.0017393900000000, -0.0006249600000000 ] - [ -0.0002612900000000, 0.0021016700000000, 0.0000091200000000 ] - [ 0.0003458800000000, 0.0002203300000000, -0.0001441100000000 ] - [ 0.0001954500000000, -0.0011914800000000, 0.0000083500000000 ] - [ 0.0008055800000000, 0.0014760600000000, 0.0002686200000000 ] - [ -0.0004686600000000, 0.0017089300000000, -0.0003714300000000 ] - [ -0.0021650400000000, -0.0029922200000000, 0.0009672200000000 ] - [ -0.0021783800000000, 0.0097195000000000, -0.0083913500000000 ] - [ -0.0000648800000000, 0.0026556400000000, 0.0002867700000000 ] - [ 0.0003205500000000, -0.0023474100000000, 0.0002879600000000 ] - [ 0.0002865400000000, 0.0026678200000000, -0.0001685700000000 ] - [ -0.0014880800000000, -0.0030147900000000, 0.0001036800000000 ] - [ 0.0007071800000000, 0.0018617900000000, 0.0004941300000000 ] - [ -0.0008062900000000, 0.0032963600000000, -0.0030621700000000 ] - [ 0.0007724200000000, 0.0007655400000000, 0.0012442500000000 ] - [ 0.0221872700000000, -0.0714344400000000, 0.0247884500000000 ] - [ -0.0001712600000000, 0.0042028900000000, -0.0006529600000000 ] - [ 0.0003254200000000, 0.0027766300000000, 0.0009701900000000 ] - [ -0.0059969200000000, -0.0156546600000000, -0.0208038200000000 ] - [ -0.0002359900000000, 0.0010950000000000, 0.0008789000000000 ] - [ 0.0012221200000000, -0.0019493100000000, -0.0006800700000000 ] - [ 0.0009151200000000, -0.0029276500000000, 0.0001943200000000 ] - [ -0.0001623200000000, 0.0011879500000000, -0.0004648400000000 ] - [ -0.0004559400000000, 0.0015450800000000, -0.0007457300000000 ] - [ -0.0018535400000000, -0.0000384700000000, 0.0018434200000000 ] - [ -0.0005301900000000, 0.0018255600000000, 0.0005290500000000 ] - [ 0.0001698700000000, -0.0004906600000000, 0.0002007300000000 ] - [ -0.0003249300000000, -0.0015562300000000, -0.0003788400000000 ] - [ 0.0002026300000000, 0.0010850900000000, 0.0005298700000000 ] - [ -0.0004452600000000, -0.0009523000000000, -0.0005904100000000 ] - [ 0.0001634000000000, 0.0017841200000000, 0.0009918800000000 ] - [ 0.0001213300000000, 0.0024037400000000, -0.0008305200000000 ] - [ -0.0173622800000000, -0.0937702700000000, -0.0085416300000000 ] - [ -0.0028910900000000, 0.0018244500000000, 0.0010908100000000 ] - [ 0.0036236000000000, 0.0026409300000000, 0.0007203600000000 ] - [ 0.0001223100000000, 0.0002839100000000, 0.0004457800000000 ] - [ 0.0005852400000000, 0.0003547200000000, -0.0010346300000000 ] - [ -0.0007916900000000, 0.0040125400000000, -0.0005205700000000 ] - [ 0.0016028700000000, 0.0038677600000000, 0.0035613300000000 ] - [ 0.0004617000000000, -0.0010673800000000, 0.0014411400000000 ] - [ 0.0000196800000000, 0.0017636700000000, -0.0007912600000000 ] - [ -0.0001416600000000, 0.0008715100000000, 0.0006114100000000 ] - [ -0.0007361200000000, 0.0002315000000000, -0.0005059400000000 ] - [ 0.0004929100000000, 0.0005205600000000, -0.0002004600000000 ] - [ 0.0001033800000000, 0.0009803700000000, 0.0006608100000000 ] - [ -0.0021997500000000, 0.0128314900000000, 0.0037874500000000 ] - [ 0.0003307400000000, 0.0040160400000000, 0.0018274500000000 ] - [ 0.0003411800000000, 0.0055751100000000, 0.0017791900000000 ] - [ 0.0002517400000000, 0.0194033200000000, -0.0023113800000000 ] - [ 0.0008451000000000, -0.0023367400000000, 0.0003011000000000 ] - [ -0.0006611200000000, 0.0010493200000000, -0.0011575500000000 ] - [ 0.0003838400000000, 0.0007175100000000, 0.0010703100000000 ] - [ -0.0003966800000000, -0.0008593900000000, -0.0002289600000000 ] - [ -0.0006526900000000, 0.0019947300000000, -0.0005818600000000 ] - [ 0.0000255900000000, -0.0046592600000000, 0.0016322100000000 ] - [ 0.0022874800000000, -0.0706320200000000, -0.0242075300000000 ] - [ -0.0000039800000000, 0.0021641500000000, -0.0001648900000000 ] - [ -0.0001148900000000, 0.0010280400000000, -0.0005529600000000 ] - [ -0.0009352000000000, -0.0014338800000000, 0.0008265900000000 ] - [ 0.0001286200000000, 0.0001427300000000, -0.0005052300000000 ] - [ -0.0016235900000000, 0.0005152600000000, -0.0001548800000000 ] - [ -0.0019723000000000, -0.0000294200000000, -0.0007954700000000 ] - [ 0.0010364400000000, 0.0019179600000000, 0.0006206600000000 ] - [ -0.0000544000000000, 0.0014148200000000, -0.0004254000000000 ] - [ 0.0007935400000000, -0.0034282000000000, -0.0004230700000000 ] - [ -0.0000952800000000, 0.0018745500000000, -0.0013021900000000 ] - [ -0.0004541300000000, -0.0002118200000000, 0.0001595000000000 ] - [ -0.0005651200000000, 0.0012188500000000, -0.0001972500000000 ] - [ 0.0030422500000000, -0.0016278000000000, 0.0021330000000000 ] - [ -0.0010360700000000, -0.0052236100000000, 0.0041889300000000 ] - [ -0.0000794400000000, 0.0022255400000000, 0.0007334800000000 ] - [ 0.0009863600000000, 0.0009293200000000, 0.0005338700000000 ] - [ 0.0006757400000000, -0.0040325100000000, -0.0009458000000000 ] - [ -0.0004244100000000, 0.0001186000000000, 0.0002271700000000 ] - [ 0.0012964700000000, 0.0008217300000000, -0.0002784200000000 ]- atom: 15 displacement: [ -0.0045139598196510, 0.0000000000000000, 0.0089232374588249 ] forces: - [ -0.0101291500000000, -0.0047434300000000, 0.0145446300000000 ] - [ 0.0001890400000000, -0.0003656700000000, 0.0000926000000000 ] - [ 0.0026834500000000, 0.0112986800000000, -0.0023060200000000 ] - [ 0.0010807500000000, -0.0008706800000000, 0.0001778000000000 ] - [ -0.0002056800000000, -0.0001244100000000, -0.0000227500000000 ] - [ 0.0044017100000000, 0.0057924900000000, -0.0017093300000000 ] - [ -0.0003724200000000, -0.0003691300000000, -0.0002137400000000 ] - [ -0.0017318100000000, -0.0000175300000000, -0.0000507300000000 ] - [ 0.0003268200000000, -0.0170739800000000, 0.0037270700000000 ] - [ 0.0002295400000000, -0.0002302400000000, -0.0005370800000000 ] - [ -0.0002131400000000, 0.0003059000000000, -0.0000243000000000 ] - [ -0.0068009400000000, -0.0212736400000000, -0.0066022700000000 ] - [ 0.0064443300000000, 0.0005033500000000, -0.0041936500000000 ] - [ 0.0004725600000000, -0.0003159900000000, -0.0003876200000000 ] - [ 0.1119301200000000, 0.0171775300000000, -0.2780419900000000 ] - [ 0.0001206000000000, 0.0003471500000000, 0.0000662400000000 ] - [ 0.0063778100000000, 0.0064803400000000, 0.0094587900000000 ] - [ -0.0001125800000000, 0.0002616900000000, -0.0000143200000000 ] - [ -0.0003813100000000, -0.0004185400000000, -0.0009694300000000 ] - [ -0.0013908100000000, -0.0003776100000000, -0.0000897800000000 ] - [ -0.0001261900000000, -0.0000346500000000, -0.0000398800000000 ] - [ 0.0052111900000000, -0.0291497300000000, 0.0515332400000000 ] - [ -0.0000278800000000, -0.0001974000000000, 0.0004215900000000 ] - [ 0.0001964100000000, 0.0001686100000000, 0.0031869100000000 ] - [ 0.0003254400000000, -0.0011068200000000, -0.0006948200000000 ] - [ -0.0021991300000000, -0.0016619000000000, -0.0019775800000000 ] - [ -0.0013637500000000, 0.0010032000000000, 0.0029759300000000 ] - [ -0.0000147000000000, 0.0001157200000000, -0.0001622700000000 ] - [ -0.0013851500000000, 0.0000048400000000, 0.0035987100000000 ] - [ 0.0001420700000000, -0.0006053700000000, -0.0000511100000000 ] - [ 0.0000955800000000, -0.0008597400000000, 0.0000097000000000 ] - [ 0.0000574900000000, -0.0015098900000000, 0.0051656400000000 ] - [ 0.0004695000000000, -0.0002634700000000, 0.0001034000000000 ] - [ -0.0296271600000000, 0.0256782300000000, -0.0166110600000000 ] - [ -0.0001588000000000, -0.0007921900000000, 0.0006119400000000 ] - [ -0.0008278300000000, 0.0030352100000000, 0.0028568900000000 ] - [ 0.0000568400000000, -0.0006383100000000, 0.0001306100000000 ] - [ -0.0095131100000000, 0.0021473400000000, -0.0024626100000000 ] - [ 0.0006360200000000, 0.0009845800000000, 0.0010523000000000 ] - [ 0.0007125500000000, -0.0012563900000000, 0.0017218200000000 ] - [ 0.0015889500000000, -0.0039500400000000, 0.0015163500000000 ] - [ 0.0000932900000000, -0.0003306200000000, -0.0008273100000000 ] - [ 0.0015096500000000, 0.0002934400000000, 0.0006719300000000 ] - [ 0.0018435600000000, 0.0013279700000000, -0.0011138000000000 ] - [ -0.0011116100000000, -0.0004923300000000, 0.0023058500000000 ] - [ -0.0009680900000000, -0.0004438800000000, 0.0009472300000000 ] - [ 0.0002851100000000, -0.0018448100000000, -0.0031356300000000 ] - [ -0.0003905500000000, 0.0000749200000000, -0.0003886400000000 ] - [ -0.0039615600000000, -0.0016391400000000, -0.0023309200000000 ] - [ 0.0000779100000000, -0.0003158300000000, 0.0000730200000000 ] - [ -0.0001796800000000, 0.0001388100000000, 0.0001687900000000 ] - [ -0.0040485400000000, 0.0035888800000000, -0.0018712300000000 ] - [ -0.0003374500000000, -0.0013653700000000, -0.0003453500000000 ] - [ -0.0005225900000000, 0.0021494200000000, -0.0004900000000000 ] - [ 0.0031355000000000, -0.0012025000000000, 0.0008761900000000 ] - [ -0.0003182500000000, -0.0000458200000000, -0.0000988500000000 ] - [ -0.0003857600000000, -0.0002122100000000, 0.0002018100000000 ] - [ -0.0021901900000000, 0.0002942300000000, -0.0019804800000000 ] - [ -0.0015952300000000, -0.0006913600000000, 0.0037326800000000 ] - [ -0.0000992300000000, -0.0004484200000000, 0.0002778900000000 ] - [ -0.0598476900000000, -0.0093635600000000, 0.0587700700000000 ] - [ 0.0001792700000000, 0.0004537800000000, -0.0002173800000000 ] - [ 0.0000573300000000, 0.0005393200000000, -0.0006783200000000 ] - [ 0.0003862400000000, -0.0007570100000000, -0.0018703200000000 ] - [ 0.0007854800000000, -0.0010229800000000, -0.0009373600000000 ] - [ 0.0005052600000000, -0.0005624900000000, -0.0001936700000000 ] - [ -0.0000106600000000, 0.0004278200000000, 0.0004047800000000 ] - [ 0.0034706900000000, -0.0090632500000000, 0.0132035500000000 ] - [ -0.0000536600000000, 0.0043122900000000, -0.0036148900000000 ] - [ 0.0002306900000000, 0.0004462500000000, 0.0002962700000000 ] - [ 0.0005535100000000, 0.0016292000000000, -0.0032735000000000 ] - [ 0.0001378100000000, 0.0007217400000000, 0.0001765600000000 ] - [ 0.0024299400000000, -0.0001330500000000, -0.0010824400000000 ] - [ 0.0003161900000000, -0.0000218300000000, 0.0000249000000000 ] - [ -0.0003823000000000, 0.0015823500000000, -0.0016661500000000 ] - [ 0.0003807900000000, 0.0003467800000000, 0.0006345600000000 ] - [ -0.0014459300000000, -0.0115360900000000, 0.0491682600000000 ] - [ 0.0002509400000000, 0.0010137100000000, -0.0000382200000000 ] - [ -0.0001814700000000, 0.0002597700000000, 0.0000849900000000 ] - [ 0.0016184700000000, 0.0180040400000000, 0.0009931600000000 ] - [ -0.0001422000000000, -0.0002982000000000, -0.0001098800000000 ] - [ 0.0020798400000000, -0.0019220400000000, -0.0020590900000000 ] - [ -0.0040984100000000, 0.0000077500000000, -0.0019423700000000 ] - [ 0.0001219800000000, 0.0000393300000000, -0.0001532500000000 ] - [ -0.0003337400000000, 0.0004482400000000, -0.0002805600000000 ] - [ -0.0002138700000000, -0.0028142000000000, -0.0004685800000000 ] - [ -0.0004488400000000, 0.0002948000000000, -0.0001731500000000 ] - [ -0.0004859400000000, 0.0002832000000000, -0.0007081500000000 ] - [ 0.0024816900000000, 0.0015180000000000, -0.0004758100000000 ] - [ 0.0003528200000000, -0.0003647100000000, -0.0000872500000000 ] - [ 0.0018549600000000, -0.0018400600000000, -0.0052274300000000 ] - [ 0.0001382000000000, 0.0004268700000000, -0.0000200800000000 ] - [ -0.0001469100000000, -0.0004077000000000, -0.0001657900000000 ] - [ -0.0152218900000000, -0.0002196200000000, 0.0457726400000000 ] - [ -0.0007187200000000, 0.0007711200000000, 0.0007061900000000 ] - [ 0.0012434200000000, 0.0008640300000000, 0.0003826200000000 ] - [ 0.0009729200000000, -0.0014497100000000, -0.0014594600000000 ] - [ 0.0008536700000000, 0.0001453700000000, -0.0008986400000000 ] - [ -0.0001905000000000, 0.0013092500000000, 0.0004254600000000 ] - [ 0.0004785000000000, 0.0009877100000000, 0.0012003600000000 ] - [ -0.0057253800000000, -0.0025154700000000, -0.0019996300000000 ] - [ -0.0000014900000000, 0.0004712800000000, -0.0000484400000000 ] - [ -0.0010466000000000, -0.0009104200000000, -0.0006411300000000 ] - [ -0.0012176800000000, 0.0002334000000000, -0.0003225400000000 ] - [ 0.0005456700000000, 0.0011235200000000, -0.0009403100000000 ] - [ 0.0002254600000000, -0.0010418400000000, -0.0005548600000000 ] - [ 0.0016117300000000, 0.0058024500000000, 0.0061991200000000 ] - [ 0.0002602400000000, 0.0004982500000000, 0.0007573300000000 ] - [ 0.0002677700000000, 0.0009374200000000, 0.0009293800000000 ] - [ 0.0025194000000000, 0.0060489500000000, 0.0023659000000000 ] - [ -0.0017397000000000, 0.0010648400000000, -0.0005876300000000 ] - [ -0.0001341700000000, -0.0002355600000000, -0.0004267000000000 ] - [ -0.0000431400000000, -0.0006412700000000, -0.0002054500000000 ] - [ -0.0002339200000000, -0.0004390600000000, -0.0008269900000000 ] - [ -0.0003742100000000, -0.0002659300000000, -0.0001030500000000 ] - [ 0.0000607000000000, -0.0022282900000000, -0.0041154400000000 ] - [ -0.0219085300000000, 0.0213952700000000, 0.0910412900000000 ] - [ -0.0000026100000000, 0.0003641400000000, 0.0001968000000000 ] - [ -0.0001594600000000, -0.0001283500000000, 0.0000171900000000 ] - [ 0.0019630300000000, -0.0018226800000000, 0.0013120200000000 ] - [ -0.0005978500000000, -0.0001598800000000, 0.0007232200000000 ] - [ -0.0005002600000000, -0.0014558600000000, 0.0006204400000000 ] - [ -0.0000259800000000, 0.0006476600000000, -0.0005915600000000 ] - [ 0.0002216400000000, 0.0005332700000000, -0.0003577500000000 ] - [ -0.0000304100000000, -0.0000554500000000, -0.0002369000000000 ] - [ 0.0015382300000000, -0.0000807300000000, -0.0016822300000000 ] - [ -0.0003029100000000, 0.0004352000000000, -0.0001248800000000 ] - [ 0.0003638900000000, -0.0016091800000000, 0.0024821500000000 ] - [ -0.0002120400000000, 0.0001513400000000, 0.0001184200000000 ] - [ 0.0183185800000000, -0.0066160400000000, -0.0024873700000000 ] - [ -0.0048433000000000, -0.0015015100000000, -0.0205259000000000 ] - [ -0.0005308000000000, 0.0006950100000000, 0.0000771900000000 ] - [ 0.0006119500000000, -0.0004977500000000, -0.0000562400000000 ] - [ 0.0042266100000000, 0.0006670900000000, 0.0026188700000000 ] - [ 0.0001686600000000, 0.0002662300000000, 0.0007200400000000 ] - [ 0.0007655000000000, -0.0001197400000000, -0.0002500200000000 ]- atom: 15 displacement: [ 0.0045139598196510, 0.0000000000000000, -0.0089232374588249 ] forces: - [ 0.0105191100000000, 0.0040654500000000, -0.0144284200000000 ] - [ 0.0002831200000000, -0.0002863200000000, 0.0000104000000000 ] - [ -0.0022132200000000, -0.0106695400000000, 0.0024293900000000 ] - [ -0.0006008500000000, 0.0015200500000000, -0.0000662200000000 ] - [ -0.0002679200000000, 0.0007797900000000, -0.0000818800000000 ] - [ -0.0048890700000000, -0.0051533200000000, 0.0015146000000000 ] - [ -0.0000985300000000, -0.0002881800000000, 0.0001105500000000 ] - [ 0.0012581300000000, -0.0006264900000000, -0.0000453000000000 ] - [ 0.0000541900000000, 0.0179914100000000, -0.0038917500000000 ] - [ 0.0001235000000000, 0.0011103700000000, 0.0003003500000000 ] - [ -0.0001387800000000, 0.0005814400000000, 0.0002600000000000 ] - [ 0.0064167800000000, 0.0222794000000000, 0.0071095300000000 ] - [ -0.0058835600000000, -0.0010160000000000, 0.0036723100000000 ] - [ 0.0000952300000000, -0.0001909100000000, -0.0001366500000000 ] - [ -0.1057475500000000, -0.0122384000000000, 0.2853716500000000 ] - [ -0.0001785900000000, 0.0010040400000000, 0.0000275900000000 ] - [ -0.0065813200000000, -0.0055982800000000, -0.0096928600000000 ] - [ -0.0000848500000000, 0.0006260500000000, -0.0001996200000000 ] - [ -0.0004264000000000, 0.0001996900000000, 0.0007545900000000 ] - [ 0.0005804400000000, 0.0001580000000000, -0.0001299300000000 ] - [ -0.0001279400000000, 0.0002517700000000, -0.0001518700000000 ] - [ -0.0055974000000000, 0.0293862800000000, -0.0524011500000000 ] - [ -0.0005425700000000, -0.0003108500000000, 0.0001021600000000 ] - [ -0.0007732300000000, -0.0006826700000000, -0.0026677000000000 ] - [ -0.0002672400000000, 0.0024709800000000, 0.0006063400000000 ] - [ 0.0022402800000000, 0.0029857800000000, 0.0018692200000000 ] - [ 0.0019215500000000, -0.0005028400000000, -0.0035049400000000 ] - [ 0.0005801100000000, 0.0003908300000000, -0.0003624000000000 ] - [ 0.0017370200000000, -0.0009165200000000, -0.0038404100000000 ] - [ 0.0002112900000000, -0.0002772500000000, -0.0001807100000000 ] - [ -0.0000346100000000, -0.0004912100000000, -0.0001026100000000 ] - [ 0.0000201100000000, 0.0001510200000000, -0.0052391700000000 ] - [ 0.0003327000000000, 0.0000463400000000, 0.0001169300000000 ] - [ 0.0302566300000000, -0.0258940200000000, 0.0169150200000000 ] - [ -0.0001927300000000, -0.0000949300000000, -0.0003778200000000 ] - [ 0.0004688900000000, -0.0038768200000000, -0.0026238000000000 ] - [ 0.0001394000000000, -0.0002490300000000, 0.0000840500000000 ] - [ 0.0096916700000000, -0.0030196900000000, 0.0026921400000000 ] - [ 0.0001625300000000, -0.0007717400000000, -0.0008335000000000 ] - [ 0.0000874300000000, 0.0014763500000000, -0.0015044600000000 ] - [ -0.0013501200000000, 0.0041908400000000, -0.0013274400000000 ] - [ 0.0001600900000000, 0.0005423200000000, 0.0010067800000000 ] - [ -0.0013179700000000, 0.0005966100000000, -0.0004620200000000 ] - [ -0.0016457800000000, -0.0004377200000000, 0.0013153500000000 ] - [ 0.0010485900000000, -0.0008665500000000, -0.0022161200000000 ] - [ 0.0009049600000000, -0.0008952300000000, -0.0008506700000000 ] - [ -0.0004832100000000, 0.0009505200000000, 0.0029244800000000 ] - [ 0.0001915700000000, -0.0009584700000000, 0.0001727900000000 ] - [ 0.0042338700000000, 0.0014302600000000, 0.0025489000000000 ] - [ 0.0001764000000000, 0.0000997700000000, 0.0001194400000000 ] - [ -0.0003878300000000, 0.0003677300000000, 0.0003554100000000 ] - [ 0.0034559900000000, -0.0030693300000000, 0.0023867400000000 ] - [ 0.0000848900000000, 0.0011459100000000, 0.0001502800000000 ] - [ 0.0002654100000000, -0.0023493000000000, 0.0002890400000000 ] - [ -0.0039171000000000, 0.0014060900000000, -0.0011034200000000 ] - [ -0.0004825700000000, 0.0002614400000000, -0.0001217000000000 ] - [ -0.0002328000000000, -0.0004653700000000, 0.0002489200000000 ] - [ 0.0015462900000000, -0.0009691400000000, 0.0024261800000000 ] - [ 0.0017449600000000, 0.0000005400000000, -0.0036635600000000 ] - [ 0.0002495700000000, -0.0002492700000000, -0.0002054000000000 ] - [ 0.0549949100000000, 0.0098080200000000, -0.0573972100000000 ] - [ 0.0004351400000000, 0.0002231200000000, -0.0002310500000000 ] - [ -0.0003664100000000, 0.0006575800000000, 0.0002150600000000 ] - [ -0.0006952300000000, 0.0019300700000000, 0.0013998400000000 ] - [ -0.0001255400000000, 0.0000159800000000, 0.0008809700000000 ] - [ 0.0001520200000000, -0.0004651500000000, 0.0001311800000000 ] - [ 0.0001371100000000, 0.0002151100000000, 0.0004260100000000 ] - [ -0.0032933200000000, 0.0096409400000000, -0.0123482400000000 ] - [ 0.0005559000000000, -0.0040934300000000, 0.0037376300000000 ] - [ 0.0002775200000000, -0.0001386900000000, -0.0002316000000000 ] - [ -0.0002455600000000, -0.0004241200000000, 0.0037277400000000 ] - [ 0.0001713300000000, 0.0004722500000000, 0.0002881800000000 ] - [ -0.0019354500000000, -0.0001665200000000, 0.0011443500000000 ] - [ 0.0001922500000000, -0.0002843900000000, 0.0000357800000000 ] - [ 0.0015023400000000, -0.0003581200000000, 0.0014896800000000 ] - [ 0.0007329800000000, 0.0008836700000000, -0.0008141300000000 ] - [ 0.0023352900000000, 0.0123819800000000, -0.0494326700000000 ] - [ 0.0004053300000000, 0.0000119700000000, -0.0000229600000000 ] - [ -0.0003274800000000, 0.0000446200000000, -0.0001482700000000 ] - [ -0.0021144900000000, -0.0178167100000000, -0.0011221200000000 ] - [ -0.0000074300000000, -0.0003977300000000, 0.0000388200000000 ] - [ -0.0022239400000000, 0.0012281500000000, 0.0019869000000000 ] - [ 0.0044679300000000, -0.0001507200000000, 0.0017221600000000 ] - [ 0.0002441300000000, -0.0001789300000000, -0.0000843000000000 ] - [ -0.0001756300000000, -0.0007495100000000, 0.0002203900000000 ] - [ -0.0002896600000000, 0.0024875100000000, 0.0004165200000000 ] - [ 0.0001819200000000, 0.0002524000000000, 0.0001806500000000 ] - [ 0.0002207300000000, 0.0002679100000000, 0.0007241500000000 ] - [ -0.0022066900000000, -0.0020598800000000, 0.0004697100000000 ] - [ -0.0000812800000000, -0.0001830100000000, 0.0000801700000000 ] - [ -0.0016989200000000, 0.0025432300000000, 0.0053079500000000 ] - [ 0.0000125400000000, 0.0002691200000000, 0.0000916800000000 ] - [ -0.0001616300000000, -0.0007862800000000, -0.0002978900000000 ] - [ 0.0146729400000000, -0.0017387100000000, -0.0465154100000000 ] - [ 0.0001099800000000, -0.0000940800000000, -0.0002594500000000 ] - [ -0.0018472400000000, -0.0001815800000000, 0.0000663800000000 ] - [ -0.0003523200000000, 0.0007762100000000, 0.0010100600000000 ] - [ -0.0002328900000000, -0.0008263300000000, 0.0004444800000000 ] - [ 0.0001384300000000, -0.0009624400000000, -0.0008396200000000 ] - [ -0.0005297600000000, -0.0006219900000000, -0.0015941700000000 ] - [ 0.0060027900000000, 0.0030692200000000, 0.0020006000000000 ] - [ 0.0002703700000000, 0.0000757400000000, 0.0000400700000000 ] - [ 0.0006820700000000, 0.0007726100000000, 0.0008785800000000 ] - [ 0.0008514200000000, -0.0003761200000000, 0.0005620600000000 ] - [ -0.0004912600000000, -0.0014716900000000, 0.0013479300000000 ] - [ -0.0001702700000000, 0.0006798600000000, 0.0009604800000000 ] - [ -0.0012920500000000, -0.0070079600000000, -0.0057658200000000 ] - [ 0.0000500600000000, -0.0016846200000000, -0.0002878900000000 ] - [ -0.0009267000000000, 0.0000821600000000, -0.0008730500000000 ] - [ -0.0031896600000000, -0.0049245600000000, -0.0023596500000000 ] - [ 0.0016079900000000, -0.0017026900000000, -0.0002422500000000 ] - [ 0.0000055200000000, -0.0004068800000000, -0.0004026100000000 ] - [ 0.0001729100000000, 0.0000006700000000, 0.0010368200000000 ] - [ 0.0003664800000000, -0.0002025100000000, 0.0016598800000000 ] - [ -0.0002837200000000, -0.0007550700000000, 0.0001627500000000 ] - [ -0.0007133400000000, 0.0011818900000000, 0.0041504300000000 ] - [ 0.0216784400000000, -0.0235232100000000, -0.0987608200000000 ] - [ 0.0000566700000000, -0.0000079300000000, 0.0002106200000000 ] - [ -0.0001099000000000, -0.0004174500000000, -0.0000111700000000 ] - [ -0.0022250700000000, 0.0012747500000000, -0.0013107500000000 ] - [ -0.0005175200000000, -0.0010696300000000, -0.0005345300000000 ] - [ -0.0006120300000000, 0.0002170100000000, -0.0004255800000000 ] - [ -0.0000924500000000, -0.0000034300000000, -0.0002384700000000 ] - [ -0.0003472800000000, 0.0001106800000000, -0.0004715000000000 ] - [ -0.0000237800000000, -0.0002993700000000, -0.0001706400000000 ] - [ -0.0016036400000000, -0.0002728800000000, 0.0012646300000000 ] - [ 0.0001538700000000, 0.0002610900000000, 0.0000543000000000 ] - [ -0.0005124000000000, 0.0022984900000000, -0.0025457900000000 ] - [ -0.0001538300000000, -0.0000123400000000, 0.0001199100000000 ] - [ -0.0187519400000000, 0.0067958500000000, 0.0027067200000000 ] - [ 0.0036882900000000, 0.0028036900000000, 0.0206672500000000 ] - [ -0.0005821400000000, 0.0005377200000000, 0.0001103500000000 ] - [ 0.0005017700000000, -0.0007346500000000, -0.0001332500000000 ] - [ -0.0031065500000000, -0.0019066000000000, -0.0028249300000000 ] - [ 0.0002015500000000, -0.0001236000000000, -0.0009605500000000 ] - [ -0.0003935100000000, 0.0002585400000000, 0.0000108600000000 ]- atom: 17 displacement: [ 0.0099999786541794, 0.0000000000000000, -0.0000206619446251 ] forces: - [ 0.0169798200000000, 0.0004425200000000, -0.0079007300000000 ] - [ 0.0002272400000000, -0.0003121300000000, 0.0000121500000000 ] - [ -0.0049182400000000, -0.0002351700000000, -0.0001536900000000 ] - [ -0.0001148400000000, 0.0010236500000000, -0.0000282800000000 ] - [ -0.0003141700000000, 0.0006216200000000, 0.0000254900000000 ] - [ 0.0049160700000000, -0.0097316300000000, 0.0134275000000000 ] - [ 0.0004316200000000, -0.0001514900000000, -0.0006754900000000 ] - [ 0.0008463000000000, -0.0012019300000000, -0.0005219200000000 ] - [ 0.0013299500000000, 0.0007693100000000, 0.0047160400000000 ] - [ 0.0002494800000000, 0.0004474000000000, 0.0003780000000000 ] - [ -0.0000934300000000, 0.0008502700000000, 0.0003064700000000 ] - [ 0.0005970700000000, 0.0026592400000000, 0.0089178000000000 ] - [ 0.0049983700000000, 0.0193740300000000, -0.0252089000000000 ] - [ 0.0001582800000000, -0.0002726100000000, -0.0003472200000000 ] - [ 0.0030847200000000, 0.0006642300000000, 0.0088634200000000 ] - [ 0.0000656100000000, 0.0007863900000000, 0.0000791500000000 ] - [ -0.3247033600000000, -0.0055789200000000, 0.0265022100000000 ] - [ -0.0001967500000000, 0.0005141000000000, -0.0001246200000000 ] - [ -0.0001284800000000, -0.0028177200000000, -0.0046372000000000 ] - [ -0.0003328100000000, -0.0001541900000000, -0.0000396200000000 ] - [ -0.0001315100000000, 0.0002145200000000, -0.0000748000000000 ] - [ 0.0119464100000000, 0.0104830500000000, 0.0343419500000000 ] - [ -0.0014065100000000, -0.0007952900000000, 0.0006256800000000 ] - [ -0.0071943200000000, 0.0004111100000000, -0.0011021900000000 ] - [ -0.0015858500000000, 0.0012112900000000, 0.0010906400000000 ] - [ 0.0013568100000000, 0.0014487300000000, 0.0022071400000000 ] - [ -0.0018120700000000, -0.0113154900000000, -0.0176864200000000 ] - [ 0.0001277500000000, 0.0002043100000000, -0.0003254400000000 ] - [ 0.0032922100000000, -0.0000353900000000, 0.0007499500000000 ] - [ 0.0002384500000000, -0.0003557200000000, -0.0000916800000000 ] - [ 0.0002470400000000, -0.0007489800000000, 0.0000170200000000 ] - [ 0.0147394900000000, 0.0001392200000000, -0.0033532600000000 ] - [ 0.0004549400000000, -0.0001209800000000, -0.0000558900000000 ] - [ 0.0007452800000000, 0.0007361900000000, -0.0021828200000000 ] - [ 0.0000287500000000, -0.0008871400000000, 0.0002791200000000 ] - [ 0.0010512500000000, -0.0004428800000000, -0.0000119700000000 ] - [ 0.0000788400000000, -0.0004903400000000, 0.0000388400000000 ] - [ -0.0037652700000000, 0.0013539300000000, -0.0008273500000000 ] - [ -0.0028522800000000, -0.0015603200000000, 0.0017060400000000 ] - [ -0.0004310000000000, 0.0014180200000000, -0.0001797500000000 ] - [ -0.0007513500000000, 0.0042065500000000, 0.0014570700000000 ] - [ 0.0003173800000000, -0.0007166700000000, 0.0002248100000000 ] - [ -0.0009129200000000, 0.0025049600000000, -0.0003690600000000 ] - [ -0.0009239000000000, -0.0020770300000000, -0.0018919700000000 ] - [ 0.0017565700000000, -0.0015452500000000, 0.0013874200000000 ] - [ 0.0004185300000000, -0.0004189400000000, -0.0000515700000000 ] - [ 0.0036894500000000, -0.0023783300000000, -0.0098446400000000 ] - [ -0.0003527900000000, -0.0003886200000000, -0.0002807000000000 ] - [ 0.0024349700000000, 0.0003981100000000, -0.0017911300000000 ] - [ 0.0001355500000000, -0.0001002000000000, 0.0001138200000000 ] - [ -0.0001652000000000, 0.0005084800000000, -0.0004300700000000 ] - [ -0.0019394300000000, 0.0007043400000000, -0.0024652100000000 ] - [ 0.0002855400000000, -0.0016470200000000, -0.0011054300000000 ] - [ -0.0001683400000000, 0.0002062200000000, -0.0002007500000000 ] - [ 0.0586737000000000, -0.0060407800000000, -0.0206592500000000 ] - [ -0.0003932100000000, 0.0001199900000000, -0.0001484100000000 ] - [ -0.0004248400000000, -0.0003721700000000, 0.0002490600000000 ] - [ -0.0243688000000000, 0.0073351500000000, 0.0013052900000000 ] - [ -0.0008292300000000, -0.0057113000000000, 0.0093142900000000 ] - [ 0.0001889000000000, -0.0003817300000000, 0.0001150000000000 ] - [ -0.0002129700000000, -0.0002994700000000, -0.0005947300000000 ] - [ 0.0002483700000000, 0.0003203800000000, -0.0001742100000000 ] - [ -0.0006432800000000, 0.0010715300000000, -0.0004647000000000 ] - [ -0.0007412600000000, 0.0005080900000000, -0.0002074200000000 ] - [ -0.0007549000000000, -0.0012175400000000, -0.0005766900000000 ] - [ 0.0001044700000000, -0.0006073200000000, -0.0001231200000000 ] - [ 0.0001061600000000, 0.0002093800000000, 0.0006221200000000 ] - [ 0.0018062100000000, -0.0005565500000000, 0.0021165400000000 ] - [ -0.0013534000000000, -0.0030190500000000, -0.0026193500000000 ] - [ 0.0000917900000000, 0.0006393100000000, -0.0002451000000000 ] - [ -0.0059903400000000, -0.0013034400000000, -0.0004952900000000 ] - [ 0.0001049000000000, 0.0005869700000000, 0.0002248300000000 ] - [ -0.0015322200000000, -0.0009851900000000, 0.0001186100000000 ] - [ 0.0002329700000000, -0.0001783200000000, -0.0000025200000000 ] - [ 0.0008356300000000, -0.0016506400000000, 0.0001098400000000 ] - [ 0.0004036400000000, 0.0013430800000000, -0.0001218300000000 ] - [ -0.0031158800000000, 0.0015970400000000, -0.0051404900000000 ] - [ 0.0002975800000000, 0.0004753300000000, -0.0001221800000000 ] - [ -0.0002300800000000, 0.0000090500000000, -0.0001782200000000 ] - [ -0.0069329300000000, -0.0111452300000000, -0.0123416600000000 ] - [ 0.0001350400000000, -0.0002499300000000, -0.0001264400000000 ] - [ 0.0036640300000000, 0.0002155900000000, -0.0006987400000000 ] - [ 0.0764550500000000, -0.0193921800000000, 0.0156061300000000 ] - [ 0.0002385000000000, -0.0001184800000000, -0.0000857500000000 ] - [ -0.0003976800000000, 0.0005737500000000, -0.0000518700000000 ] - [ -0.0003865000000000, -0.0003304500000000, -0.0001302400000000 ] - [ 0.0006528000000000, -0.0002879300000000, -0.0005744600000000 ] - [ 0.0035157100000000, 0.0047043500000000, 0.0003824200000000 ] - [ -0.0064876200000000, 0.0041675500000000, 0.0106696300000000 ] - [ 0.0002394300000000, -0.0002875600000000, 0.0000170100000000 ] - [ 0.0625411300000000, -0.0172654400000000, -0.0336010800000000 ] - [ 0.0001393200000000, 0.0003287900000000, 0.0000529300000000 ] - [ -0.0002406600000000, -0.0008096600000000, -0.0002277700000000 ] - [ -0.0028135200000000, 0.0000530700000000, -0.0063274800000000 ] - [ 0.0013203300000000, 0.0015296400000000, 0.0010507000000000 ] - [ -0.0008180300000000, 0.0002731000000000, -0.0000516400000000 ] - [ 0.0010763300000000, 0.0017866900000000, -0.0013333200000000 ] - [ 0.0002599900000000, -0.0006406100000000, -0.0000804600000000 ] - [ 0.0004676600000000, -0.0013012300000000, -0.0018268100000000 ] - [ -0.0003663000000000, 0.0012032100000000, -0.0011220700000000 ] - [ 0.0526462200000000, 0.0038929300000000, -0.0064460900000000 ] - [ 0.0002356800000000, 0.0002096800000000, 0.0000487500000000 ] - [ 0.0015762000000000, -0.0015197300000000, -0.0007581300000000 ] - [ 0.0013911500000000, 0.0002286200000000, 0.0008042100000000 ] - [ -0.0011329100000000, 0.0013992300000000, 0.0003290000000000 ] - [ -0.0000553800000000, -0.0003280900000000, 0.0002514300000000 ] - [ 0.0007526500000000, -0.0013207400000000, -0.0013711700000000 ] - [ -0.0000783000000000, -0.0009411700000000, -0.0003305400000000 ] - [ 0.0000484400000000, -0.0002011300000000, -0.0001990900000000 ] - [ -0.0011091500000000, -0.0026140700000000, -0.0024648000000000 ] - [ -0.0056531100000000, -0.0088891200000000, 0.0151791500000000 ] - [ -0.0000271200000000, -0.0003318800000000, -0.0003658800000000 ] - [ 0.0008161900000000, 0.0004196200000000, 0.0000790000000000 ] - [ 0.0022169200000000, -0.0008321500000000, 0.0014439700000000 ] - [ -0.0004278900000000, -0.0002162200000000, -0.0000603100000000 ] - [ -0.0059479900000000, -0.0001366300000000, -0.0012384400000000 ] - [ -0.0013924300000000, 0.0049061600000000, -0.0159347400000000 ] - [ 0.0000115400000000, 0.0000943200000000, 0.0001804500000000 ] - [ -0.0003051300000000, -0.0002158900000000, 0.0002631500000000 ] - [ 0.0006649800000000, -0.0007259200000000, 0.0007172400000000 ] - [ -0.0017422100000000, 0.0002135700000000, 0.0020717700000000 ] - [ -0.0003542600000000, -0.0007635600000000, 0.0002382800000000 ] - [ 0.0064178900000000, 0.0076893300000000, 0.0077498100000000 ] - [ 0.0000177800000000, 0.0003848900000000, -0.0004194900000000 ] - [ -0.0000727600000000, -0.0001577400000000, -0.0002245300000000 ] - [ -0.0032483700000000, 0.0000065800000000, 0.0024008500000000 ] - [ -0.0001920200000000, -0.0002760000000000, 0.0007358200000000 ] - [ 0.0004526900000000, 0.0009682200000000, 0.0015437200000000 ] - [ -0.0001967800000000, 0.0000886100000000, 0.0001943000000000 ] - [ 0.0004528800000000, -0.0017179700000000, 0.0028139500000000 ] - [ 0.0762070700000000, 0.0380270200000000, 0.0145166000000000 ] - [ -0.0005184000000000, 0.0005847500000000, 0.0000560800000000 ] - [ 0.0005747800000000, -0.0006096700000000, -0.0000959100000000 ] - [ 0.0018615400000000, -0.0008898800000000, 0.0006743900000000 ] - [ -0.0008955200000000, 0.0006998400000000, 0.0026078800000000 ] - [ 0.0002041800000000, 0.0001539300000000, 0.0000002900000000 ]- atom: 17 displacement: [ -0.0099999786541794, 0.0000000000000000, 0.0000206619446251 ] forces: - [ -0.0164317700000000, -0.0011028100000000, 0.0079009800000000 ] - [ 0.0002457300000000, -0.0003389700000000, 0.0000914800000000 ] - [ 0.0053377800000000, 0.0008993500000000, 0.0002445100000000 ] - [ 0.0005887900000000, -0.0003687000000000, 0.0001334400000000 ] - [ -0.0001577800000000, 0.0000329300000000, -0.0001295100000000 ] - [ -0.0054163200000000, 0.0104023900000000, -0.0135464200000000 ] - [ -0.0009000800000000, -0.0005031900000000, 0.0005754100000000 ] - [ -0.0013216200000000, 0.0005516500000000, 0.0004190200000000 ] - [ -0.0009818500000000, 0.0001090700000000, -0.0049729100000000 ] - [ 0.0001020700000000, 0.0004395200000000, -0.0006128600000000 ] - [ -0.0002588200000000, 0.0000373100000000, -0.0000731200000000 ] - [ -0.0009552500000000, -0.0017639100000000, -0.0086780900000000 ] - [ -0.0042150200000000, -0.0200625200000000, 0.0248977800000000 ] - [ 0.0004086500000000, -0.0002323700000000, -0.0001780000000000 ] - [ -0.0031419700000000, 0.0006959900000000, -0.0087653200000000 ] - [ -0.0001254200000000, 0.0005668600000000, 0.0000130400000000 ] - [ 0.3291550300000000, -0.0000542600000000, -0.0238350900000000 ] - [ -0.0000000300000000, 0.0003753000000000, -0.0000890700000000 ] - [ -0.0006631600000000, 0.0026047700000000, 0.0044139700000000 ] - [ -0.0004708800000000, -0.0000607200000000, -0.0001798600000000 ] - [ -0.0001212200000000, 0.0000045200000000, -0.0001161500000000 ] - [ -0.0121033200000000, -0.0100611500000000, -0.0344678000000000 ] - [ 0.0008407500000000, 0.0002923900000000, -0.0000983000000000 ] - [ 0.0066424300000000, -0.0009336000000000, 0.0016215000000000 ] - [ 0.0016462900000000, 0.0001352800000000, -0.0011892700000000 ] - [ -0.0012992400000000, -0.0000979300000000, -0.0023017200000000 ] - [ 0.0025644200000000, 0.0118276900000000, 0.0171480900000000 ] - [ 0.0004409100000000, 0.0003042600000000, -0.0001985500000000 ] - [ -0.0029381600000000, -0.0008679100000000, -0.0009697800000000 ] - [ 0.0001135600000000, -0.0005259200000000, -0.0001425700000000 ] - [ -0.0001875000000000, -0.0006011000000000, -0.0001094300000000 ] - [ -0.0146903400000000, -0.0014656000000000, 0.0032705500000000 ] - [ 0.0003471800000000, -0.0000936800000000, 0.0002753700000000 ] - [ 0.0000574600000000, -0.0009544300000000, 0.0023984800000000 ] - [ -0.0003815100000000, 0.0000027200000000, -0.0000476600000000 ] - [ -0.0014058800000000, -0.0004303500000000, 0.0002448100000000 ] - [ 0.0001184800000000, -0.0003936400000000, 0.0001751500000000 ] - [ 0.0039575600000000, -0.0022424800000000, 0.0010473500000000 ] - [ 0.0036292800000000, 0.0017802000000000, -0.0014858400000000 ] - [ 0.0012355600000000, -0.0012019600000000, 0.0004017400000000 ] - [ 0.0010161400000000, -0.0040165500000000, -0.0012567600000000 ] - [ -0.0000656500000000, 0.0009354900000000, -0.0000370700000000 ] - [ 0.0011236600000000, -0.0016116600000000, 0.0005894300000000 ] - [ 0.0011188200000000, 0.0029732500000000, 0.0021117800000000 ] - [ -0.0018197200000000, 0.0001828300000000, -0.0012975600000000 ] - [ -0.0004774400000000, -0.0009295000000000, 0.0001451100000000 ] - [ -0.0038664600000000, 0.0015203000000000, 0.0096063100000000 ] - [ 0.0001558800000000, -0.0004957800000000, 0.0000671000000000 ] - [ -0.0021830200000000, -0.0006092400000000, 0.0019907200000000 ] - [ 0.0001179000000000, -0.0001140300000000, 0.0000774900000000 ] - [ -0.0004027600000000, 0.0000020700000000, 0.0009531500000000 ] - [ 0.0013738800000000, -0.0001982200000000, 0.0029936600000000 ] - [ -0.0005453900000000, 0.0014303900000000, 0.0008963700000000 ] - [ -0.0000850100000000, -0.0004198000000000, 0.0000088500000000 ] - [ -0.0602420300000000, 0.0065771600000000, 0.0203657100000000 ] - [ -0.0004084100000000, 0.0000974000000000, -0.0000731200000000 ] - [ -0.0001947000000000, -0.0003067200000000, 0.0002008900000000 ] - [ 0.0236556400000000, -0.0080079300000000, -0.0007925100000000 ] - [ 0.0009112300000000, 0.0049805100000000, -0.0091261100000000 ] - [ -0.0000403100000000, -0.0003156500000000, -0.0000414400000000 ] - [ 0.0008319800000000, 0.0009762500000000, 0.0001514200000000 ] - [ 0.0003696400000000, 0.0003558000000000, -0.0002739300000000 ] - [ 0.0003351500000000, 0.0001252300000000, 0.0000005100000000 ] - [ 0.0004344500000000, 0.0006800900000000, -0.0002583500000000 ] - [ 0.0014134000000000, 0.0002084300000000, 0.0005163600000000 ] - [ 0.0005521900000000, -0.0004168300000000, 0.0000610000000000 ] - [ 0.0000241500000000, 0.0004313700000000, 0.0002102200000000 ] - [ -0.0016794000000000, 0.0011997800000000, -0.0012856500000000 ] - [ 0.0018697400000000, 0.0033494000000000, 0.0026957900000000 ] - [ 0.0004151100000000, -0.0003366400000000, 0.0003074400000000 ] - [ 0.0062863100000000, 0.0024997300000000, 0.0009478800000000 ] - [ 0.0002023600000000, 0.0006039200000000, 0.0002395000000000 ] - [ 0.0020385800000000, 0.0006809900000000, -0.0000647400000000 ] - [ 0.0002729900000000, -0.0001283400000000, 0.0000627600000000 ] - [ 0.0002664900000000, 0.0028876200000000, -0.0003123500000000 ] - [ 0.0007104200000000, -0.0001153500000000, -0.0000669500000000 ] - [ 0.0037772700000000, -0.0005763600000000, 0.0050863200000000 ] - [ 0.0003592300000000, 0.0005440300000000, 0.0000608500000000 ] - [ -0.0002759500000000, 0.0002933800000000, 0.0001170000000000 ] - [ 0.0064029600000000, 0.0114864800000000, 0.0123331000000000 ] - [ -0.0002838700000000, -0.0004481100000000, 0.0000517400000000 ] - [ -0.0038165800000000, -0.0009084700000000, 0.0006255300000000 ] - [ -0.0833949200000000, 0.0227217900000000, -0.0183828700000000 ] - [ 0.0001262300000000, -0.0000220700000000, -0.0001523100000000 ] - [ -0.0001065100000000, -0.0008790500000000, -0.0000041100000000 ] - [ -0.0001192700000000, 0.0000222800000000, 0.0000707800000000 ] - [ -0.0009260800000000, 0.0008335900000000, 0.0005783000000000 ] - [ -0.0037978300000000, -0.0041845100000000, -0.0003703400000000 ] - [ 0.0067941400000000, -0.0047488800000000, -0.0107530300000000 ] - [ 0.0000312200000000, -0.0002615900000000, -0.0000240700000000 ] - [ -0.0619269700000000, 0.0170420300000000, 0.0318696100000000 ] - [ 0.0000095000000000, 0.0003654900000000, 0.0000185900000000 ] - [ -0.0000676200000000, -0.0003872000000000, -0.0002363500000000 ] - [ 0.0025064000000000, -0.0012530100000000, 0.0058688200000000 ] - [ -0.0019473700000000, -0.0008530600000000, -0.0005997200000000 ] - [ 0.0001999300000000, 0.0004051300000000, 0.0005016400000000 ] - [ -0.0004425100000000, -0.0024504600000000, 0.0008828200000000 ] - [ 0.0003599900000000, -0.0000382300000000, -0.0003706600000000 ] - [ -0.0005263200000000, 0.0016633600000000, 0.0014218600000000 ] - [ 0.0003105800000000, -0.0008483000000000, 0.0007170100000000 ] - [ -0.0523681900000000, -0.0029110000000000, 0.0060172400000000 ] - [ 0.0000358000000000, 0.0003363800000000, -0.0000557800000000 ] - [ -0.0019373500000000, 0.0013651800000000, 0.0009905300000000 ] - [ -0.0017599700000000, -0.0003704900000000, -0.0005678800000000 ] - [ 0.0011917400000000, -0.0017439300000000, 0.0000888300000000 ] - [ 0.0001117600000000, -0.0000290200000000, 0.0001562700000000 ] - [ -0.0004401600000000, 0.0001354900000000, 0.0018494800000000 ] - [ 0.0003869500000000, -0.0002548800000000, 0.0007955100000000 ] - [ -0.0007020000000000, 0.0012201900000000, 0.0002629700000000 ] - [ 0.0004551600000000, 0.0036411100000000, 0.0025312800000000 ] - [ 0.0054823700000000, 0.0083127100000000, -0.0161125200000000 ] - [ -0.0001034200000000, -0.0003120900000000, -0.0004632900000000 ] - [ -0.0006841200000000, -0.0010649000000000, 0.0007502500000000 ] - [ -0.0020892500000000, 0.0001915600000000, -0.0006144000000000 ] - [ -0.0002277000000000, -0.0008063400000000, 0.0001239300000000 ] - [ 0.0052854000000000, -0.0008970500000000, 0.0012992800000000 ] - [ 0.0014578800000000, -0.0045588800000000, 0.0163085900000000 ] - [ 0.0000450700000000, 0.0002587300000000, 0.0002278100000000 ] - [ 0.0000336900000000, -0.0003335400000000, -0.0002561000000000 ] - [ -0.0009353500000000, 0.0001773800000000, -0.0007111400000000 ] - [ 0.0006346800000000, -0.0014552600000000, -0.0018663300000000 ] - [ -0.0007576000000000, -0.0004693000000000, -0.0000462100000000 ] - [ -0.0065627600000000, -0.0070266100000000, -0.0085627500000000 ] - [ -0.0001494500000000, 0.0002563200000000, -0.0004111100000000 ] - [ 0.0000161800000000, -0.0001983500000000, -0.0001833800000000 ] - [ 0.0031922400000000, -0.0003647000000000, -0.0028092000000000 ] - [ 0.0000412100000000, 0.0009693700000000, -0.0008088600000000 ] - [ -0.0006010700000000, -0.0002745700000000, -0.0016197800000000 ] - [ -0.0001683800000000, 0.0000493900000000, 0.0000441300000000 ] - [ -0.0008164500000000, 0.0018573500000000, -0.0025688700000000 ] - [ -0.0746636300000000, -0.0336973700000000, -0.0125827000000000 ] - [ -0.0005940300000000, 0.0006443800000000, 0.0001339900000000 ] - [ 0.0005369600000000, -0.0006229400000000, -0.0000960600000000 ] - [ -0.0007502900000000, -0.0003406600000000, -0.0008699200000000 ] - [ 0.0012446400000000, -0.0005680200000000, -0.0028448500000000 ] - [ 0.0001631600000000, -0.0000146400000000, -0.0002377100000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0044820000000000, -0.0116560600000000, -0.0049378200000000 ] - [ 0.0005081400000000, 0.0022767800000000, -0.0000938200000000 ] - [ -0.0080026800000000, 0.0032277500000000, -0.0087783600000000 ] - [ -0.0001845500000000, 0.0033856900000000, 0.0004403000000000 ] - [ 0.0003822000000000, 0.0028011700000000, 0.0000572300000000 ] - [ -0.0038052800000000, 0.0018997300000000, -0.0045054500000000 ] - [ 0.0005278700000000, 0.0010189100000000, 0.0005332900000000 ] - [ -0.0003826100000000, 0.0006669900000000, 0.0002323700000000 ] - [ 0.0015329300000000, -0.0076582400000000, 0.0006023600000000 ] - [ -0.0002196700000000, 0.0038857500000000, -0.0003733500000000 ] - [ -0.0000121500000000, 0.0033554800000000, 0.0000390600000000 ] - [ 0.0014711700000000, 0.0036591800000000, 0.0082093400000000 ] - [ 0.0353392900000000, -0.0064424100000000, -0.0163599200000000 ] - [ -0.0004138700000000, 0.0016724200000000, -0.0010567500000000 ] - [ -0.0008971000000000, -0.0013990700000000, 0.0063966600000000 ] - [ -0.0004918500000000, 0.0031515400000000, -0.0003922400000000 ] - [ -0.0038987300000000, -0.2999132500000000, 0.0012707000000000 ] - [ -0.0000304300000000, 0.0031195600000000, 0.0000841200000000 ] - [ 0.0012978600000000, 0.0020097700000000, 0.0038326300000000 ] - [ 0.0002166200000000, 0.0014831200000000, 0.0002590000000000 ] - [ 0.0002354100000000, 0.0028819500000000, 0.0000591800000000 ] - [ 0.0082782900000000, 0.0090303900000000, 0.0373766000000000 ] - [ 0.0009423900000000, 0.0024757300000000, 0.0018332400000000 ] - [ 0.0005264700000000, 0.0052576600000000, -0.0037293300000000 ] - [ 0.0015120500000000, -0.0003169500000000, -0.0002877700000000 ] - [ 0.0010152900000000, 0.0034869000000000, 0.0006220600000000 ] - [ -0.0018418900000000, 0.0151686700000000, 0.0189819200000000 ] - [ 0.0009831100000000, 0.0022119000000000, 0.0005281700000000 ] - [ 0.0006808100000000, -0.0063619100000000, 0.0003908300000000 ] - [ 0.0005309400000000, 0.0027941700000000, 0.0001659400000000 ] - [ -0.0002400900000000, 0.0017456500000000, -0.0003996900000000 ] - [ -0.0020404700000000, -0.0049366300000000, 0.0017915200000000 ] - [ -0.0001256400000000, 0.0016998200000000, -0.0007692000000000 ] - [ -0.0003681300000000, -0.0033795500000000, 0.0022779200000000 ] - [ -0.0006769300000000, 0.0024455400000000, -0.0004072100000000 ] - [ 0.0006133400000000, 0.0005730700000000, -0.0004816700000000 ] - [ 0.0000538500000000, 0.0021951100000000, 0.0005703100000000 ] - [ 0.0018953800000000, -0.0048167800000000, -0.0032736700000000 ] - [ -0.0014732700000000, 0.0046911300000000, 0.0015424400000000 ] - [ 0.0013593200000000, 0.0035230300000000, 0.0013975700000000 ] - [ 0.0029763300000000, -0.0017086500000000, 0.0031122200000000 ] - [ -0.0005101000000000, 0.0029630300000000, -0.0004693100000000 ] - [ 0.0026195000000000, 0.0042451900000000, 0.0006255000000000 ] - [ -0.0019620100000000, 0.0042609600000000, 0.0022390600000000 ] - [ -0.0045673500000000, -0.0009750600000000, -0.0006954000000000 ] - [ 0.0012473700000000, 0.0013902800000000, 0.0001102800000000 ] - [ 0.0018411900000000, 0.0030683200000000, -0.0024946600000000 ] - [ -0.0001539900000000, 0.0016784600000000, -0.0002451200000000 ] - [ 0.0010666500000000, -0.0049153200000000, 0.0006241700000000 ] - [ 0.0005528600000000, 0.0024674000000000, 0.0004321600000000 ] - [ -0.0007303000000000, 0.0024583700000000, -0.0010854100000000 ] - [ -0.0015461500000000, 0.0001812700000000, 0.0017990400000000 ] - [ -0.0013901400000000, 0.0018464000000000, -0.0019374000000000 ] - [ -0.0001243200000000, 0.0015604100000000, -0.0004030400000000 ] - [ -0.0180262900000000, -0.0086492700000000, 0.0211223400000000 ] - [ -0.0007626600000000, 0.0019016300000000, -0.0008527400000000 ] - [ 0.0001074000000000, -0.0016501700000000, 0.0005811500000000 ] - [ 0.0066577100000000, -0.0018862900000000, -0.0034942900000000 ] - [ -0.0067326400000000, -0.0062928700000000, 0.0126475200000000 ] - [ 0.0002011300000000, -0.0017500000000000, 0.0007922300000000 ] - [ 0.0024230000000000, 0.0025766000000000, -0.0028987200000000 ] - [ 0.0009064300000000, -0.0009896700000000, 0.0001822500000000 ] - [ 0.0007264100000000, -0.0007848100000000, -0.0003975000000000 ] - [ -0.0005896700000000, -0.0004114200000000, -0.0001946700000000 ] - [ 0.0014624600000000, 0.0031207500000000, 0.0008646000000000 ] - [ -0.0002246500000000, -0.0030503800000000, -0.0006385600000000 ] - [ 0.0006965500000000, -0.0012237100000000, 0.0013413900000000 ] - [ 0.0009620900000000, 0.0013205900000000, -0.0020136000000000 ] - [ -0.0011966900000000, 0.0045111300000000, -0.0014999400000000 ] - [ 0.0007056400000000, -0.0020766800000000, 0.0007088900000000 ] - [ 0.0002780400000000, 0.0050808700000000, -0.0003993200000000 ] - [ -0.0000072100000000, -0.0015754600000000, 0.0006624300000000 ] - [ -0.0001284600000000, 0.0032899900000000, 0.0005693200000000 ] - [ -0.0001625900000000, -0.0022250800000000, -0.0005905200000000 ] - [ -0.0015150900000000, -0.0003704200000000, -0.0018038000000000 ] - [ 0.0017400100000000, -0.0014220800000000, 0.0003090900000000 ] - [ -0.0001486200000000, 0.0062600000000000, -0.0021368800000000 ] - [ 0.0007304800000000, -0.0023333600000000, 0.0006075100000000 ] - [ -0.0004771200000000, -0.0019851500000000, -0.0003648300000000 ] - [ -0.0036910000000000, -0.0093704400000000, -0.0101076200000000 ] - [ -0.0002429200000000, -0.0021249500000000, -0.0014352100000000 ] - [ -0.0008575900000000, -0.0003665200000000, 0.0041055800000000 ] - [ -0.0269758600000000, 0.0585834300000000, -0.0176408700000000 ] - [ 0.0005127200000000, -0.0013524100000000, 0.0002333800000000 ] - [ 0.0003603100000000, -0.0020444800000000, 0.0009206000000000 ] - [ -0.0001497500000000, -0.0009974100000000, 0.0004050500000000 ] - [ -0.0006466500000000, -0.0015576100000000, -0.0010870000000000 ] - [ 0.0010455200000000, -0.0032206700000000, 0.0002830500000000 ] - [ 0.0056086600000000, -0.0035922000000000, -0.0062614700000000 ] - [ 0.0000641600000000, -0.0016357400000000, -0.0005057400000000 ] - [ -0.0150571600000000, 0.0562015300000000, 0.0300152600000000 ] - [ 0.0000333000000000, -0.0011852400000000, -0.0008521200000000 ] - [ -0.0003101600000000, -0.0026911800000000, 0.0002768400000000 ] - [ 0.0000586600000000, 0.0014121000000000, -0.0031656400000000 ] - [ -0.0024612200000000, -0.0008457200000000, -0.0008622800000000 ] - [ -0.0012180100000000, -0.0008671000000000, 0.0000510800000000 ] - [ 0.0037754800000000, -0.0023622300000000, -0.0004319200000000 ] - [ -0.0010451500000000, -0.0020863300000000, -0.0006445700000000 ] - [ -0.0007049600000000, 0.0004471200000000, -0.0007759300000000 ] - [ 0.0001158400000000, -0.0014833500000000, -0.0003333900000000 ] - [ 0.0079248600000000, 0.0921163000000000, -0.0423625600000000 ] - [ 0.0001713100000000, -0.0013397300000000, 0.0005856000000000 ] - [ -0.0005456400000000, -0.0035042500000000, -0.0003110800000000 ] - [ -0.0002345800000000, -0.0018407600000000, -0.0006216000000000 ] - [ 0.0015586500000000, -0.0002727100000000, 0.0007148600000000 ] - [ -0.0002149300000000, -0.0014252400000000, 0.0002503700000000 ] - [ 0.0004788200000000, 0.0028192400000000, 0.0018576300000000 ] - [ 0.0002420400000000, -0.0030311800000000, -0.0002889600000000 ] - [ -0.0000678900000000, -0.0014203700000000, 0.0003066600000000 ] - [ -0.0011565400000000, -0.0033243100000000, -0.0021657100000000 ] - [ -0.0124149500000000, 0.0160767900000000, -0.0119019400000000 ] - [ 0.0005608000000000, -0.0017612400000000, 0.0003480500000000 ] - [ -0.0004694000000000, -0.0025425900000000, -0.0011038500000000 ] - [ -0.0008630700000000, -0.0029155500000000, -0.0000100100000000 ] - [ 0.0000219800000000, -0.0030120000000000, 0.0006727100000000 ] - [ -0.0009617600000000, 0.0004111000000000, 0.0003980600000000 ] - [ 0.0000028300000000, 0.0098242400000000, -0.0163535900000000 ] - [ 0.0000542100000000, -0.0015510100000000, 0.0005318300000000 ] - [ -0.0003451100000000, -0.0017090500000000, 0.0006271000000000 ] - [ 0.0003514000000000, 0.0004073800000000, -0.0001762700000000 ] - [ 0.0006740100000000, -0.0032048200000000, 0.0020988800000000 ] - [ -0.0001501500000000, -0.0017612600000000, 0.0005415700000000 ] - [ -0.0038097000000000, -0.0042667500000000, -0.0064280800000000 ] - [ -0.0006827700000000, -0.0011060600000000, -0.0009816400000000 ] - [ -0.0000432100000000, -0.0017294900000000, -0.0000180400000000 ] - [ -0.0003049400000000, 0.0022769900000000, -0.0021288500000000 ] - [ -0.0007379600000000, -0.0014620900000000, 0.0012003300000000 ] - [ 0.0007913500000000, -0.0001715600000000, -0.0011839000000000 ] - [ 0.0002357900000000, -0.0011604800000000, 0.0004510100000000 ] - [ -0.0002155500000000, 0.0031444000000000, -0.0004991100000000 ] - [ 0.0373847800000000, 0.0829252700000000, 0.0173441500000000 ] - [ -0.0010234000000000, -0.0010580900000000, -0.0004893600000000 ] - [ 0.0000522400000000, -0.0022389500000000, -0.0008087100000000 ] - [ 0.0002395300000000, 0.0024901400000000, 0.0007649600000000 ] - [ -0.0017373900000000, -0.0015302000000000, -0.0011317100000000 ] - [ -0.0002404900000000, -0.0008321800000000, -0.0002797900000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0049062300000000, 0.0109638000000000, 0.0050449800000000 ] - [ -0.0000337800000000, -0.0029274500000000, 0.0001974200000000 ] - [ 0.0084599100000000, -0.0025810700000000, 0.0089274700000000 ] - [ 0.0006599500000000, -0.0027291100000000, -0.0003320200000000 ] - [ -0.0008570100000000, -0.0021456600000000, -0.0001633000000000 ] - [ 0.0032998600000000, -0.0012850600000000, 0.0044086800000000 ] - [ -0.0010022000000000, -0.0016645700000000, -0.0006307600000000 ] - [ -0.0000956100000000, -0.0013260200000000, -0.0003392900000000 ] - [ -0.0011754700000000, 0.0085460000000000, -0.0008371500000000 ] - [ 0.0005717100000000, -0.0029978700000000, 0.0001372800000000 ] - [ -0.0003389200000000, -0.0024631200000000, 0.0002001500000000 ] - [ -0.0018280000000000, -0.0027657600000000, -0.0079538000000000 ] - [ -0.0347664200000000, 0.0058434700000000, 0.0159780800000000 ] - [ 0.0009810900000000, -0.0021775200000000, 0.0005321600000000 ] - [ 0.0008365300000000, 0.0027578300000000, -0.0062603800000000 ] - [ 0.0004328400000000, -0.0017951900000000, 0.0004850900000000 ] - [ 0.0017269200000000, 0.3009977200000000, -0.0062370800000000 ] - [ -0.0001681500000000, -0.0022291600000000, -0.0002973500000000 ] - [ -0.0020905500000000, -0.0022162000000000, -0.0040425000000000 ] - [ -0.0010204000000000, -0.0016989500000000, -0.0004823000000000 ] - [ -0.0004891100000000, -0.0026625900000000, -0.0002472800000000 ] - [ -0.0083066100000000, -0.0086022200000000, -0.0374659800000000 ] - [ -0.0015115600000000, -0.0029844500000000, -0.0013133300000000 ] - [ -0.0010866300000000, -0.0057209000000000, 0.0042133300000000 ] - [ -0.0014479100000000, 0.0016757300000000, 0.0001920800000000 ] - [ -0.0009580500000000, -0.0021348800000000, -0.0007164300000000 ] - [ 0.0025936500000000, -0.0146251000000000, -0.0196356400000000 ] - [ -0.0004125100000000, -0.0017020500000000, -0.0010539000000000 ] - [ -0.0003294700000000, 0.0054880100000000, -0.0006325400000000 ] - [ -0.0001781000000000, -0.0036772000000000, -0.0004010700000000 ] - [ 0.0002973400000000, -0.0030957600000000, 0.0003071500000000 ] - [ 0.0021238000000000, 0.0035814900000000, -0.0018931600000000 ] - [ 0.0009282900000000, -0.0019148400000000, 0.0009913000000000 ] - [ 0.0011697500000000, 0.0031485200000000, -0.0020459100000000 ] - [ 0.0003233000000000, -0.0033251300000000, 0.0006369700000000 ] - [ -0.0009584700000000, -0.0014762100000000, 0.0007205400000000 ] - [ 0.0001465700000000, -0.0030800000000000, -0.0003594400000000 ] - [ -0.0016887600000000, 0.0038986400000000, 0.0034664500000000 ] - [ 0.0022940100000000, -0.0044975900000000, -0.0013325300000000 ] - [ -0.0005482600000000, -0.0032924400000000, -0.0011645700000000 ] - [ -0.0027310800000000, 0.0019343300000000, -0.0029420900000000 ] - [ 0.0007603400000000, -0.0027424500000000, 0.0006510100000000 ] - [ -0.0024353000000000, -0.0033684200000000, -0.0004119100000000 ] - [ 0.0021447300000000, -0.0033526200000000, -0.0020046300000000 ] - [ 0.0045270500000000, -0.0003677500000000, 0.0007741100000000 ] - [ -0.0012981200000000, -0.0027460300000000, -0.0000187300000000 ] - [ -0.0020461700000000, -0.0039097700000000, 0.0023046000000000 ] - [ -0.0000445500000000, -0.0025653400000000, 0.0000328800000000 ] - [ -0.0008127300000000, 0.0046964800000000, -0.0004372900000000 ] - [ -0.0002983300000000, -0.0026820300000000, -0.0002438400000000 ] - [ 0.0001598000000000, -0.0019492200000000, 0.0016153300000000 ] - [ 0.0009719600000000, 0.0003214000000000, -0.0012655000000000 ] - [ 0.0011315200000000, -0.0020488900000000, 0.0017399100000000 ] - [ -0.0001263100000000, -0.0017811300000000, 0.0002137400000000 ] - [ 0.0172501300000000, 0.0089242100000000, -0.0214431600000000 ] - [ -0.0000405700000000, -0.0016836500000000, 0.0006310100000000 ] - [ -0.0007209600000000, 0.0009691300000000, -0.0001268000000000 ] - [ -0.0073907900000000, 0.0012365500000000, 0.0039807300000000 ] - [ 0.0068398200000000, 0.0055860500000000, -0.0125047900000000 ] - [ -0.0000580700000000, 0.0010543900000000, -0.0007229300000000 ] - [ -0.0018011200000000, -0.0018895400000000, 0.0024281300000000 ] - [ -0.0002950900000000, 0.0016691200000000, -0.0006348500000000 ] - [ -0.0010436500000000, 0.0019809300000000, -0.0000703400000000 ] - [ 0.0002741800000000, 0.0016137100000000, -0.0002722200000000 ] - [ -0.0008097400000000, -0.0041503900000000, -0.0009262000000000 ] - [ 0.0008804200000000, 0.0020289700000000, 0.0005786000000000 ] - [ -0.0005776400000000, 0.0018656200000000, -0.0005082600000000 ] - [ -0.0008414300000000, -0.0006722600000000, 0.0028332800000000 ] - [ 0.0017128400000000, -0.0042149600000000, 0.0015695400000000 ] - [ -0.0001916900000000, 0.0023801600000000, -0.0006427700000000 ] - [ 0.0000347600000000, -0.0038898400000000, 0.0008774700000000 ] - [ 0.0003200200000000, 0.0027699400000000, -0.0001927900000000 ] - [ 0.0006410000000000, -0.0035959500000000, -0.0005038200000000 ] - [ 0.0006760200000000, 0.0019180600000000, 0.0006531800000000 ] - [ 0.0026504800000000, 0.0016049700000000, 0.0016235700000000 ] - [ -0.0006109900000000, 0.0026454600000000, -0.0004928300000000 ] - [ 0.0007965300000000, -0.0052354100000000, 0.0020597000000000 ] - [ -0.0000738100000000, 0.0033527200000000, -0.0006674300000000 ] - [ -0.0000378800000000, 0.0022890000000000, 0.0002987700000000 ] - [ 0.0031506200000000, 0.0097141100000000, 0.0100958300000000 ] - [ 0.0001008600000000, 0.0014302400000000, 0.0013680500000000 ] - [ 0.0007189100000000, -0.0003228900000000, -0.0041436100000000 ] - [ 0.0261692300000000, -0.0584731600000000, 0.0170204500000000 ] - [ -0.0001420100000000, 0.0012098400000000, -0.0004669700000000 ] - [ -0.0008723800000000, 0.0017312300000000, -0.0009771400000000 ] - [ -0.0003667600000000, 0.0006972100000000, -0.0004726300000000 ] - [ 0.0003831500000000, 0.0021121200000000, 0.0011002500000000 ] - [ -0.0012965400000000, 0.0037441500000000, -0.0002657100000000 ] - [ -0.0053020100000000, 0.0029948600000000, 0.0061423800000000 ] - [ 0.0002005600000000, 0.0010852100000000, 0.0004967800000000 ] - [ 0.0158476000000000, -0.0559200100000000, -0.0310806300000000 ] - [ 0.0001090600000000, 0.0018787100000000, 0.0009215400000000 ] - [ -0.0000024700000000, 0.0014922500000000, -0.0007462100000000 ] - [ -0.0003734200000000, -0.0026094800000000, 0.0026842900000000 ] - [ 0.0018371500000000, 0.0015184400000000, 0.0013127900000000 ] - [ 0.0006062600000000, 0.0015468700000000, 0.0004027300000000 ] - [ -0.0031842100000000, 0.0016873300000000, -0.0000209300000000 ] - [ 0.0016518100000000, 0.0014014500000000, 0.0001877300000000 ] - [ 0.0006564400000000, -0.0000925800000000, 0.0003732000000000 ] - [ -0.0001614400000000, 0.0018411400000000, -0.0000696300000000 ] - [ -0.0089424100000000, -0.0948705200000000, 0.0464339000000000 ] - [ 0.0000948500000000, 0.0018878900000000, -0.0005952700000000 ] - [ 0.0001736300000000, 0.0033800400000000, 0.0005380600000000 ] - [ -0.0001381300000000, 0.0016914200000000, 0.0008500300000000 ] - [ -0.0015096500000000, -0.0000938000000000, -0.0002999800000000 ] - [ 0.0002619300000000, 0.0010698100000000, 0.0001580500000000 ] - [ -0.0001663800000000, -0.0040152500000000, -0.0013862900000000 ] - [ 0.0000713600000000, 0.0018325000000000, 0.0007580400000000 ] - [ -0.0005894100000000, 0.0024337300000000, -0.0002482800000000 ] - [ 0.0005021500000000, 0.0043501000000000, 0.0022269900000000 ] - [ 0.0123449300000000, -0.0167662500000000, 0.0110635700000000 ] - [ -0.0006806100000000, 0.0011170300000000, -0.0011796600000000 ] - [ 0.0005877800000000, 0.0019024900000000, 0.0019438500000000 ] - [ 0.0009793000000000, 0.0022596700000000, 0.0008389400000000 ] - [ -0.0006767700000000, 0.0019866800000000, -0.0006094900000000 ] - [ 0.0002920100000000, -0.0014137200000000, -0.0003431700000000 ] - [ 0.0000221900000000, -0.0094842000000000, 0.0166516400000000 ] - [ -0.0000055900000000, 0.0019061700000000, -0.0001251100000000 ] - [ 0.0000812800000000, 0.0011550000000000, -0.0006176200000000 ] - [ -0.0006154400000000, -0.0009520500000000, 0.0001868300000000 ] - [ -0.0017879900000000, 0.0019592400000000, -0.0019081800000000 ] - [ -0.0009721300000000, 0.0005301500000000, -0.0003560900000000 ] - [ 0.0036649300000000, 0.0048762600000000, 0.0055886100000000 ] - [ 0.0005623200000000, 0.0017473000000000, 0.0001497500000000 ] - [ -0.0000045800000000, 0.0013704000000000, -0.0003894600000000 ] - [ 0.0002517800000000, -0.0026295900000000, 0.0017317900000000 ] - [ 0.0006003100000000, 0.0021586500000000, -0.0012758700000000 ] - [ -0.0009270600000000, 0.0008678200000000, 0.0011052400000000 ] - [ -0.0006059200000000, 0.0013013400000000, -0.0002161500000000 ] - [ -0.0001588200000000, -0.0029881400000000, 0.0007303800000000 ] - [ -0.0349543600000000, -0.0785608900000000, -0.0149845300000000 ] - [ -0.0000989100000000, 0.0022880500000000, 0.0006746500000000 ] - [ 0.0010697100000000, 0.0010073600000000, 0.0006223400000000 ] - [ 0.0008854900000000, -0.0037092100000000, -0.0009481100000000 ] - [ 0.0020996900000000, 0.0016604900000000, 0.0008886100000000 ] - [ 0.0006127000000000, 0.0009743200000000, 0.0000456000000000 ]- atom: 17 displacement: [ -0.0045139598196510, 0.0000000000000000, 0.0089232374588249 ] forces: - [ -0.0198666900000000, -0.0069424900000000, 0.0012636900000000 ] - [ 0.0002801600000000, -0.0000683700000000, 0.0000475200000000 ] - [ 0.0094328700000000, -0.0084636000000000, 0.0079916100000000 ] - [ 0.0001592200000000, 0.0006666300000000, 0.0000314600000000 ] - [ -0.0001229900000000, 0.0005275800000000, -0.0002279000000000 ] - [ 0.0019483400000000, 0.0011477700000000, -0.0025579800000000 ] - [ -0.0010150300000000, 0.0000860800000000, 0.0012652100000000 ] - [ -0.0003524600000000, -0.0001487900000000, 0.0002543500000000 ] - [ 0.0016597200000000, -0.0002386200000000, 0.0001684500000000 ] - [ 0.0001438500000000, 0.0007656700000000, -0.0001384600000000 ] - [ -0.0001894900000000, 0.0000084300000000, 0.0001731900000000 ] - [ 0.0005402700000000, 0.0017893300000000, 0.0008494700000000 ] - [ -0.0388243700000000, -0.0154350000000000, 0.0415985100000000 ] - [ 0.0002073100000000, -0.0001019200000000, -0.0002847900000000 ] - [ -0.0021409400000000, 0.0014178700000000, 0.0052583400000000 ] - [ -0.0001638000000000, 0.0007879500000000, 0.0000787500000000 ] - [ 0.1675969400000000, 0.0105843300000000, -0.3037256300000000 ] - [ -0.0000700600000000, 0.0005778100000000, -0.0001763200000000 ] - [ -0.0008530100000000, 0.0067646800000000, 0.0107535600000000 ] - [ -0.0002625000000000, -0.0000802800000000, -0.0000320600000000 ] - [ -0.0001370500000000, 0.0000340800000000, -0.0001682300000000 ] - [ 0.0087280300000000, 0.0128347500000000, 0.0083564300000000 ] - [ 0.0007881100000000, 0.0005487600000000, -0.0006196500000000 ] - [ 0.0009669100000000, -0.0025529600000000, -0.0028553000000000 ] - [ 0.0038713000000000, 0.0002881700000000, -0.0001939500000000 ] - [ 0.0004206800000000, 0.0011464700000000, 0.0000032200000000 ] - [ -0.0016047700000000, 0.0258207700000000, 0.0483760100000000 ] - [ 0.0003546900000000, 0.0003724000000000, -0.0002377700000000 ] - [ -0.0013729600000000, -0.0006423700000000, -0.0009133400000000 ] - [ 0.0002028300000000, -0.0001704900000000, -0.0001015700000000 ] - [ -0.0001996800000000, -0.0003472400000000, -0.0001186800000000 ] - [ -0.0044502000000000, -0.0014282400000000, -0.0000503300000000 ] - [ 0.0002263600000000, 0.0000601900000000, 0.0003202600000000 ] - [ -0.0038150800000000, -0.0009666700000000, 0.0052188900000000 ] - [ -0.0004300800000000, 0.0003800000000000, -0.0003952100000000 ] - [ -0.0002279300000000, -0.0010568900000000, -0.0000974000000000 ] - [ 0.0000468200000000, -0.0000106900000000, 0.0001846500000000 ] - [ 0.0010029500000000, -0.0042396900000000, 0.0033882900000000 ] - [ 0.0044043400000000, 0.0007237400000000, -0.0045794500000000 ] - [ 0.0006775900000000, 0.0001986800000000, -0.0005036700000000 ] - [ 0.0010182500000000, 0.0000941200000000, -0.0034652700000000 ] - [ 0.0000876500000000, 0.0004822900000000, 0.0001410500000000 ] - [ -0.0012331900000000, -0.0023782700000000, -0.0007611400000000 ] - [ 0.0001352200000000, 0.0011141400000000, -0.0000804700000000 ] - [ 0.0001156300000000, 0.0005446300000000, -0.0030994900000000 ] - [ 0.0000730700000000, -0.0005769000000000, -0.0000328900000000 ] - [ -0.0104311600000000, 0.0025769300000000, 0.0186695600000000 ] - [ -0.0001383000000000, -0.0003453100000000, -0.0000237100000000 ] - [ -0.0004030000000000, 0.0003781800000000, 0.0044427200000000 ] - [ 0.0001836200000000, 0.0001788000000000, 0.0001389300000000 ] - [ -0.0007854200000000, -0.0000149100000000, 0.0013551600000000 ] - [ -0.0019613800000000, 0.0012322600000000, 0.0017604500000000 ] - [ -0.0007388900000000, 0.0025768700000000, 0.0015325400000000 ] - [ -0.0001507200000000, -0.0003018400000000, 0.0000080900000000 ] - [ -0.0240301300000000, 0.0128443700000000, -0.0098025000000000 ] - [ -0.0004881100000000, 0.0002188500000000, -0.0001544300000000 ] - [ -0.0001317000000000, -0.0004330800000000, 0.0002476300000000 ] - [ 0.0031475500000000, -0.0035936000000000, 0.0018270600000000 ] - [ 0.0071087700000000, 0.0084432500000000, -0.0227399700000000 ] - [ 0.0001180100000000, -0.0004388100000000, 0.0000263600000000 ] - [ 0.0036986800000000, 0.0007227000000000, -0.0036333800000000 ] - [ 0.0004546000000000, 0.0002318300000000, -0.0002810200000000 ] - [ -0.0001403500000000, 0.0001076200000000, 0.0002573400000000 ] - [ -0.0002087700000000, 0.0007995100000000, 0.0000105500000000 ] - [ 0.0006859900000000, -0.0001614300000000, 0.0004945300000000 ] - [ 0.0003020600000000, -0.0006971800000000, -0.0000490700000000 ] - [ 0.0001657300000000, 0.0003531800000000, 0.0001747500000000 ] - [ 0.0011312500000000, 0.0000006100000000, -0.0027493800000000 ] - [ -0.0002449100000000, 0.0007302900000000, 0.0009443300000000 ] - [ 0.0003176100000000, -0.0001199900000000, 0.0000788000000000 ] - [ 0.0029068600000000, 0.0012395900000000, 0.0020300600000000 ] - [ 0.0001653000000000, 0.0003722600000000, 0.0002744500000000 ] - [ 0.0008580100000000, 0.0000081900000000, -0.0008265700000000 ] - [ 0.0002012000000000, -0.0003569100000000, -0.0000209800000000 ] - [ 0.0015263900000000, 0.0022007300000000, 0.0019654300000000 ] - [ 0.0006101200000000, 0.0004170900000000, -0.0000094900000000 ] - [ 0.0003324900000000, 0.0012878600000000, -0.0006571500000000 ] - [ 0.0003672000000000, 0.0002849400000000, 0.0000022800000000 ] - [ -0.0003733500000000, 0.0003293200000000, 0.0000013800000000 ] - [ 0.0008294800000000, -0.0015075600000000, 0.0000561700000000 ] - [ -0.0002084100000000, -0.0006151500000000, 0.0002084700000000 ] - [ -0.0014676700000000, 0.0022218300000000, 0.0007159200000000 ] - [ -0.0184408300000000, -0.0036101300000000, 0.0473810700000000 ] - [ 0.0002211700000000, -0.0001293700000000, -0.0000808500000000 ] - [ -0.0001330500000000, -0.0013660100000000, 0.0001168200000000 ] - [ -0.0000689300000000, 0.0001498100000000, -0.0000720200000000 ] - [ -0.0006517100000000, 0.0009983700000000, 0.0011869800000000 ] - [ -0.0012734000000000, -0.0004904700000000, 0.0011321300000000 ] - [ 0.0145844300000000, -0.0072835400000000, -0.0234478100000000 ] - [ 0.0001220300000000, -0.0003733500000000, -0.0000462500000000 ] - [ -0.0507946200000000, 0.0297295400000000, 0.0881204400000000 ] - [ 0.0000455300000000, 0.0002628500000000, 0.0000342700000000 ] - [ -0.0001053900000000, -0.0004635700000000, -0.0003909100000000 ] - [ 0.0001519500000000, -0.0012387300000000, -0.0008967600000000 ] - [ -0.0036584400000000, -0.0024885000000000, -0.0021687600000000 ] - [ -0.0006219000000000, 0.0002692700000000, 0.0001778300000000 ] - [ -0.0020407900000000, -0.0010503300000000, 0.0027818700000000 ] - [ 0.0001767300000000, -0.0004063000000000, -0.0000667800000000 ] - [ -0.0008549700000000, 0.0005205000000000, 0.0009914800000000 ] - [ -0.0001103600000000, -0.0002451300000000, -0.0002437000000000 ] - [ -0.0299694900000000, -0.0414813400000000, 0.0756123600000000 ] - [ 0.0001521200000000, 0.0001493500000000, 0.0000453500000000 ] - [ -0.0017458700000000, 0.0042661900000000, 0.0024831100000000 ] - [ -0.0004507900000000, -0.0002948500000000, 0.0003012900000000 ] - [ 0.0014949800000000, -0.0028254300000000, 0.0006904700000000 ] - [ 0.0000123500000000, -0.0001663400000000, 0.0002629800000000 ] - [ -0.0021080500000000, 0.0000013000000000, -0.0010202900000000 ] - [ 0.0001392000000000, -0.0008852200000000, 0.0001967200000000 ] - [ -0.0017151500000000, 0.0014599500000000, -0.0005149300000000 ] - [ -0.0005898700000000, -0.0003218900000000, -0.0002018600000000 ] - [ 0.0144516700000000, -0.0068998200000000, 0.0016460000000000 ] - [ 0.0000039900000000, -0.0004332400000000, -0.0003719800000000 ] - [ -0.0006111400000000, -0.0009138200000000, 0.0022734400000000 ] - [ 0.0000407100000000, 0.0000042300000000, 0.0011982700000000 ] - [ -0.0001881000000000, -0.0010772700000000, 0.0002212500000000 ] - [ 0.0011085400000000, 0.0006129300000000, 0.0008976000000000 ] - [ -0.0024382200000000, -0.0026265800000000, -0.0030113000000000 ] - [ 0.0000526900000000, 0.0001385900000000, 0.0001794200000000 ] - [ 0.0002766600000000, -0.0006389800000000, -0.0003885300000000 ] - [ 0.0007873200000000, 0.0007677200000000, -0.0017856200000000 ] - [ 0.0020167400000000, -0.0018953900000000, -0.0036882700000000 ] - [ -0.0004922700000000, -0.0006173400000000, -0.0000226900000000 ] - [ -0.0097625800000000, -0.0140348400000000, -0.0162608700000000 ] - [ -0.0001451900000000, 0.0002317900000000, -0.0004602700000000 ] - [ 0.0000083700000000, -0.0003931100000000, -0.0001906400000000 ] - [ 0.0008355800000000, 0.0002010900000000, -0.0017817000000000 ] - [ 0.0006244600000000, 0.0011093900000000, -0.0008973800000000 ] - [ 0.0001611100000000, -0.0000263400000000, -0.0005215700000000 ] - [ -0.0000414000000000, -0.0001003900000000, 0.0000528900000000 ] - [ 0.0024684600000000, 0.0028808800000000, -0.0040796100000000 ] - [ -0.0252050700000000, -0.0027260800000000, 0.0377292600000000 ] - [ -0.0006002300000000, 0.0005794200000000, 0.0001679300000000 ] - [ 0.0004910200000000, -0.0008099600000000, -0.0001781000000000 ] - [ -0.0003945300000000, 0.0002921300000000, -0.0035302900000000 ] - [ 0.0036845000000000, -0.0014435500000000, -0.0059636900000000 ] - [ 0.0001346100000000, 0.0000428100000000, -0.0001790700000000 ]- atom: 17 displacement: [ 0.0045139598196510, 0.0000000000000000, -0.0089232374588249 ] forces: - [ 0.0204835800000000, 0.0063082800000000, -0.0011564700000000 ] - [ 0.0001923500000000, -0.0005926000000000, 0.0000573800000000 ] - [ -0.0089669200000000, 0.0091252900000000, -0.0078803000000000 ] - [ 0.0003169000000000, -0.0000230000000000, 0.0000716800000000 ] - [ -0.0003525800000000, 0.0001195600000000, 0.0001237100000000 ] - [ -0.0024335800000000, -0.0005047800000000, 0.0024998700000000 ] - [ 0.0005418100000000, -0.0007452300000000, -0.0013765000000000 ] - [ -0.0001241200000000, -0.0005060500000000, -0.0003639000000000 ] - [ -0.0013132800000000, 0.0011453600000000, -0.0003950700000000 ] - [ 0.0002099700000000, 0.0001097400000000, -0.0000943200000000 ] - [ -0.0001629100000000, 0.0008717100000000, 0.0000620300000000 ] - [ -0.0009017600000000, -0.0009162900000000, -0.0006539700000000 ] - [ 0.0391061300000000, 0.0144499100000000, -0.0417353400000000 ] - [ 0.0003627800000000, -0.0004113000000000, -0.0002365600000000 ] - [ 0.0021015800000000, -0.0000610300000000, -0.0051917800000000 ] - [ 0.0001060100000000, 0.0005570500000000, 0.0000154500000000 ] - [ -0.1713243700000000, 0.0014251800000000, 0.3072789500000000 ] - [ -0.0001269100000000, 0.0003020400000000, -0.0000381600000000 ] - [ 0.0000558500000000, -0.0070182100000000, -0.0110346300000000 ] - [ -0.0005423600000000, -0.0001390500000000, -0.0001884900000000 ] - [ -0.0001184700000000, 0.0001754900000000, -0.0000252500000000 ] - [ -0.0088439300000000, -0.0125871700000000, -0.0087308700000000 ] - [ -0.0013626700000000, -0.0010652900000000, 0.0011417200000000 ] - [ -0.0015488000000000, 0.0020450200000000, 0.0034286000000000 ] - [ -0.0038326800000000, 0.0010687500000000, 0.0001033000000000 ] - [ -0.0003690800000000, 0.0001929900000000, -0.0000996700000000 ] - [ 0.0025694200000000, -0.0255835000000000, -0.0494247000000000 ] - [ 0.0002118800000000, 0.0001305200000000, -0.0002872200000000 ] - [ 0.0017195400000000, -0.0002312100000000, 0.0006713000000000 ] - [ 0.0001482800000000, -0.0007233700000000, -0.0001339500000000 ] - [ 0.0002603700000000, -0.0010111400000000, 0.0000260800000000 ] - [ 0.0045435800000000, 0.0000933800000000, -0.0000606100000000 ] - [ 0.0005760500000000, -0.0002822900000000, -0.0000972900000000 ] - [ 0.0046521000000000, 0.0007530100000000, -0.0050113700000000 ] - [ 0.0000802500000000, -0.0012746200000000, 0.0006342700000000 ] - [ -0.0001250100000000, 0.0001688800000000, 0.0003384600000000 ] - [ 0.0001501300000000, -0.0008843700000000, 0.0000285000000000 ] - [ -0.0008242000000000, 0.0033913600000000, -0.0031886500000000 ] - [ -0.0036003600000000, -0.0005120100000000, 0.0048000600000000 ] - [ 0.0001203300000000, 0.0000064900000000, 0.0007257700000000 ] - [ -0.0007721900000000, 0.0001411300000000, 0.0036588200000000 ] - [ 0.0001686400000000, -0.0002768300000000, 0.0000524600000000 ] - [ 0.0014209000000000, 0.0032637000000000, 0.0009734500000000 ] - [ 0.0000718800000000, -0.0002394700000000, 0.0002791900000000 ] - [ -0.0001666700000000, -0.0018972800000000, 0.0032061500000000 ] - [ -0.0001369400000000, -0.0007806600000000, 0.0001275300000000 ] - [ 0.0102591600000000, -0.0034619200000000, -0.0189307600000000 ] - [ -0.0000576100000000, -0.0005454100000000, -0.0001902500000000 ] - [ 0.0006469200000000, -0.0005847300000000, -0.0042795500000000 ] - [ 0.0000694100000000, -0.0004032000000000, 0.0000529900000000 ] - [ 0.0002193800000000, 0.0005177500000000, -0.0008312300000000 ] - [ 0.0013902100000000, -0.0007110000000000, -0.0012567100000000 ] - [ 0.0004893900000000, -0.0028053900000000, -0.0017233700000000 ] - [ -0.0001035500000000, 0.0000841900000000, -0.0001993400000000 ] - [ 0.0231732600000000, -0.0125627500000000, 0.0093003600000000 ] - [ -0.0003120200000000, -0.0000064600000000, -0.0000649400000000 ] - [ -0.0004842200000000, -0.0002399500000000, 0.0001995900000000 ] - [ -0.0038859300000000, 0.0029449800000000, -0.0013396500000000 ] - [ -0.0070264500000000, -0.0091493500000000, 0.0229200700000000 ] - [ 0.0000330700000000, -0.0002537200000000, 0.0000428800000000 ] - [ -0.0031190100000000, -0.0000501600000000, 0.0032040700000000 ] - [ 0.0001584300000000, 0.0004492500000000, -0.0001689700000000 ] - [ -0.0001692300000000, 0.0010883200000000, -0.0007225400000000 ] - [ -0.0000978100000000, 0.0003962400000000, -0.0004767800000000 ] - [ -0.0000287800000000, -0.0008689900000000, -0.0005539000000000 ] - [ 0.0003572600000000, -0.0003177500000000, -0.0000093000000000 ] - [ -0.0000385300000000, 0.0002934100000000, 0.0006530400000000 ] - [ -0.0010095800000000, 0.0006251300000000, 0.0035908000000000 ] - [ 0.0007532700000000, -0.0004461800000000, -0.0008859700000000 ] - [ 0.0001896100000000, 0.0004318200000000, -0.0000197800000000 ] - [ -0.0026082600000000, -0.0000622600000000, -0.0015690300000000 ] - [ 0.0001432500000000, 0.0008265200000000, 0.0001883100000000 ] - [ -0.0003442400000000, -0.0003180200000000, 0.0008941700000000 ] - [ 0.0003085600000000, 0.0000581600000000, 0.0000847500000000 ] - [ -0.0004082300000000, -0.0009710400000000, -0.0021504200000000 ] - [ 0.0004987800000000, 0.0008221200000000, -0.0001780700000000 ] - [ 0.0003233900000000, -0.0002817000000000, 0.0006005000000000 ] - [ 0.0002882600000000, 0.0007449500000000, -0.0000644300000000 ] - [ -0.0001348100000000, -0.0000203000000000, -0.0000618700000000 ] - [ -0.0013213900000000, 0.0018880700000000, -0.0000289300000000 ] - [ 0.0000581000000000, -0.0000755900000000, -0.0002770400000000 ] - [ 0.0013310200000000, -0.0029462400000000, -0.0008083400000000 ] - [ 0.0194805000000000, 0.0030615000000000, -0.0473884100000000 ] - [ 0.0001433200000000, -0.0000050500000000, -0.0001600700000000 ] - [ -0.0003775400000000, 0.0010716700000000, -0.0001805900000000 ] - [ -0.0004422000000000, -0.0004532700000000, 0.0000076400000000 ] - [ 0.0003840300000000, -0.0004499200000000, -0.0011805800000000 ] - [ 0.0010067000000000, 0.0010576900000000, -0.0011355400000000 ] - [ -0.0143278600000000, 0.0067116500000000, 0.0234019400000000 ] - [ 0.0001495300000000, -0.0001686900000000, 0.0000406700000000 ] - [ 0.0556382700000000, -0.0337592300000000, -0.0960481400000000 ] - [ 0.0001064600000000, 0.0004376700000000, 0.0000383100000000 ] - [ -0.0002028800000000, -0.0007249100000000, -0.0000743000000000 ] - [ -0.0004659100000000, 0.0000333300000000, 0.0004451700000000 ] - [ 0.0030587900000000, 0.0031805100000000, 0.0026319800000000 ] - [ 0.0000121900000000, 0.0004108700000000, 0.0002719200000000 ] - [ 0.0026542800000000, 0.0003758000000000, -0.0032398100000000 ] - [ 0.0004426100000000, -0.0002654000000000, -0.0003821800000000 ] - [ 0.0008062300000000, -0.0001694100000000, -0.0014042600000000 ] - [ 0.0000575100000000, 0.0006062800000000, -0.0001614800000000 ] - [ 0.0289060100000000, 0.0374230900000000, -0.0711674200000000 ] - [ 0.0001186200000000, 0.0004019000000000, -0.0000548500000000 ] - [ 0.0013778700000000, -0.0043911600000000, -0.0022476700000000 ] - [ 0.0000835500000000, 0.0001623100000000, -0.0000599400000000 ] - [ -0.0014495900000000, 0.0024818300000000, -0.0002879700000000 ] - [ 0.0000422100000000, -0.0001857800000000, 0.0001418600000000 ] - [ 0.0024245500000000, -0.0012060900000000, 0.0014811600000000 ] - [ 0.0001712200000000, -0.0003027500000000, 0.0002708300000000 ] - [ 0.0010628300000000, -0.0004381700000000, 0.0005763500000000 ] - [ -0.0000624900000000, 0.0013640700000000, 0.0002739400000000 ] - [ -0.0145646700000000, 0.0062187300000000, -0.0023846000000000 ] - [ -0.0001350500000000, -0.0002053000000000, -0.0004595800000000 ] - [ 0.0007434100000000, 0.0002770200000000, -0.0014451800000000 ] - [ 0.0000912400000000, -0.0006424400000000, -0.0003756100000000 ] - [ -0.0004703800000000, 0.0000638700000000, -0.0001636100000000 ] - [ -0.0017775200000000, -0.0016388800000000, -0.0008457100000000 ] - [ 0.0024778700000000, 0.0029401200000000, 0.0035034800000000 ] - [ 0.0000011600000000, 0.0002214100000000, 0.0002276300000000 ] - [ -0.0005481900000000, 0.0000989200000000, 0.0003944200000000 ] - [ -0.0010585400000000, -0.0013251400000000, 0.0018036700000000 ] - [ -0.0031425600000000, 0.0006759800000000, 0.0038831600000000 ] - [ -0.0006229000000000, -0.0006142900000000, 0.0002100600000000 ] - [ 0.0096757800000000, 0.0147737900000000, 0.0155649600000000 ] - [ 0.0000180700000000, 0.0004143400000000, -0.0003691900000000 ] - [ -0.0000627700000000, 0.0000428300000000, -0.0002181500000000 ] - [ -0.0008902900000000, -0.0005667500000000, 0.0013988800000000 ] - [ -0.0007758700000000, -0.0004107300000000, 0.0008262300000000 ] - [ -0.0003142100000000, 0.0007180600000000, 0.0004651500000000 ] - [ -0.0003245700000000, 0.0002423300000000, 0.0001858600000000 ] - [ -0.0028587300000000, -0.0027649400000000, 0.0043490600000000 ] - [ 0.0234403500000000, 0.0031650400000000, -0.0378613200000000 ] - [ -0.0005116800000000, 0.0006581600000000, 0.0000226000000000 ] - [ 0.0006245800000000, -0.0004170600000000, -0.0000090300000000 ] - [ 0.0015198500000000, -0.0015360800000000, 0.0033658600000000 ] - [ -0.0033289800000000, 0.0015872700000000, 0.0057427300000000 ] - [ 0.0002342000000000, 0.0000964600000000, -0.0000602800000000 ]- atom: 19 displacement: [ 0.0099999786541794, 0.0000000000000000, -0.0000206619446251 ] forces: - [ 0.0025826900000000, 0.0017261100000000, 0.0024977800000000 ] - [ 0.0003303500000000, -0.0002960900000000, 0.0002457000000000 ] - [ 0.0089144400000000, -0.0019282200000000, 0.0024941800000000 ] - [ 0.0003251200000000, 0.0008607300000000, 0.0001376500000000 ] - [ -0.0006003600000000, 0.0040062200000000, -0.0026641700000000 ] - [ -0.0009566200000000, -0.0001086200000000, -0.0007535400000000 ] - [ -0.0220110300000000, -0.0064024400000000, -0.0010180500000000 ] - [ -0.0004228900000000, 0.0001105300000000, -0.0000826000000000 ] - [ 0.0014721000000000, -0.0083960600000000, -0.0076314700000000 ] - [ 0.0000283900000000, 0.0014271900000000, -0.0002978700000000 ] - [ 0.0029572000000000, 0.0076461800000000, 0.0022304100000000 ] - [ -0.0000538100000000, 0.0006021300000000, 0.0005192600000000 ] - [ 0.0019695400000000, 0.0045558600000000, -0.0085494000000000 ] - [ 0.0003759900000000, -0.0000745400000000, -0.0005088000000000 ] - [ 0.0029371600000000, -0.0012689600000000, 0.0015710100000000 ] - [ 0.0014392800000000, 0.0030186400000000, -0.0003154500000000 ] - [ 0.0001838600000000, 0.0021220400000000, -0.0005196300000000 ] - [ -0.0000311800000000, 0.0010634700000000, 0.0000849200000000 ] - [ -0.5201911100000000, -0.1082918300000000, 0.0676423500000000 ] - [ -0.0004558800000000, 0.0001544400000000, 0.0000096000000000 ] - [ 0.0007386200000000, 0.0019585600000000, 0.0006103100000000 ] - [ 0.0003437900000000, 0.0002289500000000, 0.0011222100000000 ] - [ -0.0034255900000000, -0.0019611800000000, -0.0006722800000000 ] - [ -0.0002492200000000, 0.0001762200000000, 0.0005506600000000 ] - [ 0.0521312300000000, 0.0102018400000000, -0.0070750600000000 ] - [ -0.0000791500000000, 0.0010980200000000, -0.0000248900000000 ] - [ -0.0094787200000000, 0.0115796900000000, 0.0243032300000000 ] - [ 0.0002340000000000, 0.0005051100000000, -0.0000376200000000 ] - [ -0.0018142400000000, -0.0022585000000000, 0.0006843200000000 ] - [ 0.0002000600000000, 0.0000798400000000, 0.0000568900000000 ] - [ 0.0004499000000000, -0.0006999500000000, 0.0004306800000000 ] - [ -0.0003821700000000, -0.0009227200000000, 0.0000936800000000 ] - [ 0.0014750000000000, -0.0014290300000000, 0.0008979100000000 ] - [ 0.0014698000000000, 0.0007657000000000, -0.0001636200000000 ] - [ 0.0008119900000000, -0.0011755900000000, 0.0024687400000000 ] - [ -0.0002019200000000, 0.0001542500000000, 0.0001262100000000 ] - [ -0.0031448100000000, -0.0023323400000000, 0.0029717800000000 ] - [ -0.0007370200000000, 0.0005014400000000, -0.0000026400000000 ] - [ 0.0013208700000000, 0.0005118700000000, 0.0016493800000000 ] - [ 0.0005024900000000, 0.0004193400000000, 0.0003283000000000 ] - [ -0.0018006200000000, -0.0051680300000000, -0.0114300300000000 ] - [ 0.0000069000000000, 0.0006187300000000, -0.0000807300000000 ] - [ 0.0004455400000000, 0.0012186300000000, -0.0044806100000000 ] - [ 0.0001548100000000, 0.0009701200000000, -0.0000627400000000 ] - [ 0.0009196100000000, -0.0013916600000000, 0.0044834800000000 ] - [ 0.0000113300000000, -0.0002680300000000, 0.0001590400000000 ] - [ 0.0597427500000000, 0.0173362900000000, 0.0034354800000000 ] - [ -0.0000928700000000, -0.0000862600000000, -0.0002010200000000 ] - [ -0.0013770300000000, -0.0008748500000000, -0.0010835200000000 ] - [ -0.0002743600000000, 0.0005038800000000, 0.0000797300000000 ] - [ 0.0028285100000000, -0.0039667200000000, -0.0008422500000000 ] - [ -0.0005209700000000, 0.0009029300000000, -0.0000760200000000 ] - [ 0.0041264100000000, -0.0039065400000000, 0.0098945200000000 ] - [ -0.0001638600000000, 0.0003611400000000, -0.0001192800000000 ] - [ -0.0010781900000000, 0.0012978200000000, -0.0030037700000000 ] - [ -0.0004195400000000, 0.0002784200000000, -0.0006300200000000 ] - [ -0.0004673700000000, -0.0005097900000000, 0.0005903400000000 ] - [ 0.0004972500000000, -0.0008182700000000, 0.0010553300000000 ] - [ -0.0102748100000000, -0.0062207300000000, 0.0071481800000000 ] - [ 0.0000091300000000, -0.0005627500000000, 0.0002276300000000 ] - [ -0.0016900400000000, 0.0001191700000000, -0.0002127000000000 ] - [ -0.0010887500000000, 0.0004276400000000, -0.0002110600000000 ] - [ 0.0000843600000000, 0.0005456200000000, -0.0015860400000000 ] - [ -0.0001158800000000, 0.0002165600000000, -0.0003602300000000 ] - [ 0.0017043600000000, 0.0010615600000000, -0.0028696800000000 ] - [ 0.0002813500000000, -0.0009472300000000, -0.0001584700000000 ] - [ -0.0014594100000000, 0.0015832700000000, -0.0003961900000000 ] - [ -0.0000030400000000, -0.0001510800000000, 0.0006920800000000 ] - [ 0.0016658700000000, 0.0023383100000000, 0.0031620900000000 ] - [ 0.0003852400000000, -0.0003531100000000, 0.0002897600000000 ] - [ -0.0003094000000000, 0.0016063000000000, -0.0006164500000000 ] - [ 0.0000519000000000, 0.0003870700000000, 0.0001623600000000 ] - [ 0.0039202200000000, 0.0011349800000000, -0.0004802300000000 ] - [ 0.0002146100000000, -0.0004751600000000, -0.0001053500000000 ] - [ 0.0021423800000000, 0.0000316000000000, 0.0065076900000000 ] - [ 0.0006767700000000, 0.0002866600000000, 0.0001272900000000 ] - [ -0.0005368400000000, 0.0058287300000000, -0.0002098900000000 ] - [ 0.0002592100000000, -0.0007078200000000, 0.0003190100000000 ] - [ -0.0014144100000000, -0.0024038000000000, -0.0021165000000000 ] - [ -0.0004005100000000, -0.0000415500000000, -0.0004303500000000 ] - [ 0.0025861400000000, -0.0006735100000000, 0.0005888800000000 ] - [ 0.0002079400000000, -0.0007265100000000, -0.0003353900000000 ] - [ 0.0005078000000000, -0.0006239600000000, 0.0008819100000000 ] - [ 0.0002701200000000, -0.0003707600000000, 0.0002037400000000 ] - [ -0.0022938400000000, 0.0031201400000000, -0.0029771600000000 ] - [ -0.0002669000000000, -0.0005381900000000, 0.0000318800000000 ] - [ 0.0007807600000000, 0.0004388700000000, 0.0015818400000000 ] - [ -0.0000389200000000, 0.0000293700000000, -0.0000446600000000 ] - [ 0.0009372000000000, -0.0090454400000000, -0.0134964800000000 ] - [ 0.0002003700000000, -0.0004005000000000, -0.0001171400000000 ] - [ 0.0032521100000000, 0.0019310700000000, -0.0017348500000000 ] - [ 0.0001461500000000, 0.0000646400000000, -0.0002782900000000 ] - [ -0.0012468900000000, -0.0039905400000000, 0.0003875100000000 ] - [ -0.0005063600000000, -0.0001111300000000, -0.0005449800000000 ] - [ 0.1821526500000000, 0.0875349300000000, 0.0418859300000000 ] - [ -0.0002395000000000, 0.0001395100000000, 0.0001614100000000 ] - [ -0.0002656500000000, -0.0000763800000000, -0.0019169600000000 ] - [ 0.0002194100000000, -0.0005758100000000, -0.0003439600000000 ] - [ -0.0063984500000000, 0.0011363300000000, 0.0139604100000000 ] - [ 0.0000202700000000, -0.0000652400000000, -0.0001779000000000 ] - [ -0.0021276300000000, -0.0004817400000000, 0.0027315000000000 ] - [ 0.0000081900000000, -0.0000268600000000, 0.0001336400000000 ] - [ -0.0006264400000000, 0.0000673100000000, 0.0005321000000000 ] - [ -0.0002862700000000, -0.0002936600000000, 0.0000415100000000 ] - [ -0.0014776600000000, -0.0003376700000000, -0.0047257700000000 ] - [ 0.0000066900000000, -0.0004445200000000, 0.0001265100000000 ] - [ -0.0106374300000000, 0.0087041200000000, 0.0043018900000000 ] - [ 0.0002229000000000, -0.0011408900000000, 0.0001295400000000 ] - [ -0.0085639200000000, -0.0043170900000000, -0.0034759300000000 ] - [ -0.0003513900000000, 0.0002800900000000, -0.0001079000000000 ] - [ 0.0010826800000000, -0.0028565900000000, 0.0025726400000000 ] - [ 0.0000151500000000, -0.0004610400000000, -0.0001294100000000 ] - [ 0.0008044700000000, 0.0007291800000000, -0.0007120900000000 ] - [ -0.0000560700000000, -0.0006080500000000, 0.0002182100000000 ] - [ -0.0006508400000000, 0.0002540300000000, -0.0005989000000000 ] - [ -0.0004874100000000, -0.0009726800000000, -0.0000805800000000 ] - [ -0.0009458300000000, 0.0007852000000000, -0.0007767200000000 ] - [ -0.0003654700000000, -0.0007756900000000, 0.0001518800000000 ] - [ 0.0014564800000000, 0.0049350200000000, -0.0004167500000000 ] - [ 0.0000282800000000, -0.0006704000000000, 0.0002672300000000 ] - [ -0.0138801100000000, 0.0034222300000000, -0.0082798000000000 ] - [ -0.0005283100000000, -0.0008842400000000, 0.0001939100000000 ] - [ 0.0620163800000000, -0.0082865300000000, -0.0223968700000000 ] - [ -0.0000717600000000, 0.0001144700000000, -0.0005377100000000 ] - [ 0.0005090500000000, -0.0003934900000000, -0.0005532700000000 ] - [ 0.0001403800000000, 0.0002269200000000, -0.0001551900000000 ] - [ -0.0004612600000000, 0.0019445300000000, 0.0031161500000000 ] - [ -0.0000443100000000, -0.0000439200000000, 0.0002971700000000 ] - [ -0.0002205200000000, 0.0007261900000000, -0.0004859300000000 ] - [ -0.0002940800000000, -0.0010470800000000, 0.0003779400000000 ] - [ -0.0010589400000000, -0.0000967500000000, -0.0005111200000000 ] - [ -0.0008960700000000, -0.0000277500000000, -0.0006888600000000 ] - [ 0.0019772800000000, -0.0002854800000000, -0.0003863900000000 ] - [ 0.0016276500000000, -0.0008347000000000, 0.0004065900000000 ] - [ 0.2183143600000000, -0.0021064500000000, -0.0981052100000000 ] - [ 0.0001985900000000, -0.0001232400000000, -0.0001707400000000 ]- atom: 19 displacement: [ -0.0099999786541794, 0.0000000000000000, 0.0000206619446251 ] forces: - [ -0.0021204200000000, -0.0023728400000000, -0.0023803200000000 ] - [ 0.0001434400000000, -0.0003592900000000, -0.0001407900000000 ] - [ -0.0084617400000000, 0.0025846800000000, -0.0024201500000000 ] - [ 0.0001491500000000, -0.0002079500000000, -0.0000338900000000 ] - [ 0.0001342700000000, -0.0033566500000000, 0.0025557600000000 ] - [ 0.0004907100000000, 0.0007621000000000, 0.0006523400000000 ] - [ 0.0215106800000000, 0.0058290800000000, 0.0010348800000000 ] - [ -0.0000512500000000, -0.0007659300000000, -0.0000211800000000 ] - [ -0.0011343600000000, 0.0093677100000000, 0.0074691900000000 ] - [ 0.0003244000000000, -0.0005418500000000, 0.0000635400000000 ] - [ -0.0033101100000000, -0.0067655100000000, -0.0019984900000000 ] - [ -0.0002985600000000, 0.0002852100000000, -0.0002866200000000 ] - [ -0.0013927900000000, -0.0050571600000000, 0.0080210500000000 ] - [ 0.0001917300000000, -0.0004342800000000, -0.0000144800000000 ] - [ -0.0030042600000000, 0.0026360200000000, -0.0014893800000000 ] - [ -0.0014963300000000, -0.0016681900000000, 0.0004078600000000 ] - [ -0.0003651800000000, -0.0012528400000000, 0.0002705800000000 ] - [ -0.0001669300000000, -0.0001751100000000, -0.0002982800000000 ] - [ 0.5153844800000000, 0.1170867800000000, -0.0534110200000000 ] - [ -0.0003483300000000, -0.0003720600000000, -0.0002305000000000 ] - [ -0.0009924600000000, -0.0017425500000000, -0.0008018300000000 ] - [ -0.0006013500000000, -0.0000102100000000, -0.0013251700000000 ] - [ 0.0028546600000000, 0.0014714500000000, 0.0011773700000000 ] - [ -0.0003194100000000, -0.0006863900000000, -0.0000281700000000 ] - [ -0.0526259100000000, -0.0092638100000000, 0.0069668900000000 ] - [ 0.0001378600000000, 0.0002545600000000, -0.0000674400000000 ] - [ 0.0096755500000000, -0.0110631300000000, -0.0247851300000000 ] - [ 0.0003342100000000, 0.0000014700000000, -0.0004872200000000 ] - [ 0.0021751700000000, 0.0013821400000000, -0.0009056700000000 ] - [ 0.0001521000000000, -0.0009665200000000, -0.0002924700000000 ] - [ -0.0003901200000000, -0.0006554900000000, -0.0005194900000000 ] - [ 0.0004409300000000, -0.0004284700000000, -0.0001828200000000 ] - [ -0.0006716100000000, 0.0012065000000000, -0.0006737300000000 ] - [ -0.0006720000000000, -0.0009783700000000, 0.0003826600000000 ] - [ -0.0011638500000000, 0.0002823000000000, -0.0022182400000000 ] - [ -0.0001504800000000, -0.0010403800000000, 0.0001103600000000 ] - [ 0.0033283400000000, 0.0014435900000000, -0.0027443600000000 ] - [ 0.0009253200000000, -0.0013970200000000, 0.0002122500000000 ] - [ -0.0005266300000000, -0.0002931400000000, -0.0014417700000000 ] - [ 0.0003012100000000, -0.0002033600000000, -0.0001082900000000 ] - [ 0.0020830700000000, 0.0054003900000000, 0.0116848400000000 ] - [ 0.0002476300000000, -0.0004023600000000, 0.0002712300000000 ] - [ -0.0002360500000000, -0.0003312600000000, 0.0046890000000000 ] - [ 0.0000433900000000, -0.0000838600000000, 0.0002748100000000 ] - [ -0.0009819000000000, 0.0000371700000000, -0.0043774800000000 ] - [ -0.0000690600000000, -0.0010859600000000, -0.0000658400000000 ] - [ -0.0592701900000000, -0.0180274600000000, -0.0039128900000000 ] - [ -0.0001058500000000, -0.0008029800000000, -0.0000112400000000 ] - [ 0.0016335300000000, 0.0006522600000000, 0.0012876100000000 ] - [ 0.0005277900000000, -0.0007207000000000, 0.0001099500000000 ] - [ -0.0033900200000000, 0.0044679500000000, 0.0013561900000000 ] - [ -0.0000499600000000, -0.0003949600000000, 0.0006002700000000 ] - [ -0.0043626800000000, 0.0036730500000000, -0.0100237600000000 ] - [ -0.0000905000000000, -0.0005795000000000, -0.0000705300000000 ] - [ 0.0002837600000000, -0.0010790000000000, 0.0027816100000000 ] - [ -0.0003826100000000, -0.0000620100000000, 0.0004081000000000 ] - [ -0.0001451600000000, -0.0001697300000000, -0.0001389300000000 ] - [ -0.0011123300000000, 0.0001377300000000, -0.0006048900000000 ] - [ 0.0104789200000000, 0.0055760500000000, -0.0070663200000000 ] - [ 0.0001356500000000, -0.0001309500000000, -0.0001608400000000 ] - [ 0.0023077400000000, 0.0005568900000000, -0.0002384400000000 ] - [ 0.0016978400000000, 0.0002541100000000, -0.0002408300000000 ] - [ -0.0003979700000000, 0.0006512900000000, 0.0011097100000000 ] - [ -0.0001970200000000, 0.0009795200000000, -0.0001095300000000 ] - [ -0.0010568400000000, -0.0020902300000000, 0.0028084900000000 ] - [ 0.0003753800000000, -0.0000730700000000, 0.0000988700000000 ] - [ 0.0015769100000000, -0.0009367400000000, 0.0012291600000000 ] - [ 0.0001254100000000, 0.0007926000000000, 0.0001420400000000 ] - [ -0.0011625100000000, -0.0020341400000000, -0.0031274300000000 ] - [ 0.0001281600000000, 0.0006568000000000, -0.0002292700000000 ] - [ 0.0006231300000000, -0.0004119200000000, 0.0010798800000000 ] - [ 0.0002600800000000, 0.0008080900000000, 0.0003057000000000 ] - [ -0.0034240600000000, -0.0014464200000000, 0.0005320500000000 ] - [ 0.0002989400000000, 0.0001700600000000, 0.0001667800000000 ] - [ -0.0010336300000000, 0.0012024000000000, -0.0067101600000000 ] - [ 0.0004441800000000, 0.0009458900000000, -0.0003143900000000 ] - [ 0.0011957900000000, -0.0048417700000000, 0.0001495700000000 ] - [ 0.0003976600000000, 0.0017278000000000, -0.0003773200000000 ] - [ 0.0009036200000000, 0.0027106700000000, 0.0020552700000000 ] - [ -0.0001125400000000, 0.0003461900000000, 0.0003726800000000 ] - [ -0.0027267800000000, -0.0000315200000000, -0.0006560600000000 ] - [ -0.0003519900000000, 0.0000357300000000, 0.0002692400000000 ] - [ -0.0001481600000000, 0.0004859200000000, -0.0011101800000000 ] - [ 0.0000984500000000, 0.0002278900000000, -0.0004372600000000 ] - [ 0.0017754500000000, -0.0034101500000000, 0.0029006600000000 ] - [ -0.0002467600000000, 0.0002344500000000, -0.0000942600000000 ] - [ -0.0010534400000000, 0.0001129000000000, -0.0015675100000000 ] - [ -0.0002268400000000, 0.0005238200000000, 0.0000557700000000 ] - [ -0.0005745800000000, 0.0084619500000000, 0.0133933100000000 ] - [ 0.0000656100000000, -0.0001501100000000, 0.0001078600000000 ] - [ -0.0030333300000000, -0.0011703200000000, 0.0018665500000000 ] - [ -0.0000012500000000, 0.0006294400000000, 0.0003469300000000 ] - [ 0.0009338800000000, 0.0027980100000000, -0.0008547500000000 ] - [ 0.0001926800000000, -0.0010906100000000, 0.0000778900000000 ] - [ -0.1909625100000000, -0.0944356800000000, -0.0455538800000000 ] - [ -0.0003726800000000, 0.0005420500000000, 0.0002922600000000 ] - [ 0.0008857300000000, -0.0006026200000000, 0.0014664200000000 ] - [ 0.0003914600000000, -0.0001053000000000, -0.0001085700000000 ] - [ 0.0063734500000000, -0.0007567300000000, -0.0144268100000000 ] - [ -0.0000690100000000, 0.0004239500000000, -0.0002301900000000 ] - [ 0.0023908000000000, 0.0010277500000000, -0.0027322600000000 ] - [ 0.0002572600000000, 0.0005778100000000, -0.0001445700000000 ] - [ 0.0002550900000000, -0.0002095800000000, -0.0002925800000000 ] - [ -0.0000847500000000, 0.0001513100000000, 0.0001924200000000 ] - [ 0.0015250700000000, -0.0000229400000000, 0.0051116900000000 ] - [ 0.0000414900000000, 0.0000859900000000, 0.0002809100000000 ] - [ 0.0110147400000000, -0.0099302400000000, -0.0038673200000000 ] - [ 0.0000907300000000, -0.0000579700000000, 0.0003403900000000 ] - [ 0.0078165400000000, 0.0053666800000000, 0.0035321600000000 ] - [ -0.0003055500000000, 0.0007388900000000, 0.0001678100000000 ] - [ -0.0012060800000000, 0.0022122300000000, -0.0034021900000000 ] - [ -0.0001361600000000, -0.0001819500000000, -0.0007024200000000 ] - [ -0.0006754400000000, -0.0013755100000000, 0.0015497600000000 ] - [ 0.0001768900000000, -0.0000334000000000, 0.0006158100000000 ] - [ -0.0000071300000000, -0.0012686900000000, 0.0006535800000000 ] - [ -0.0001696500000000, -0.0000476200000000, 0.0001384600000000 ] - [ 0.0009975400000000, -0.0004340300000000, 0.0011947900000000 ] - [ 0.0004132900000000, 0.0011337800000000, 0.0002560400000000 ] - [ -0.0017157100000000, -0.0054636100000000, 0.0004268600000000 ] - [ -0.0002900100000000, 0.0001218400000000, -0.0002582300000000 ] - [ 0.0126921100000000, -0.0046478600000000, 0.0084314000000000 ] - [ -0.0005928800000000, -0.0003479800000000, -0.0000071500000000 ] - [ -0.0617766500000000, 0.0080349500000000, 0.0203294600000000 ] - [ -0.0000485400000000, 0.0005279500000000, -0.0002949600000000 ] - [ -0.0005564500000000, 0.0000339300000000, 0.0001430500000000 ] - [ -0.0001882200000000, -0.0005819200000000, -0.0002584400000000 ] - [ 0.0003169300000000, -0.0012539800000000, -0.0031803000000000 ] - [ -0.0001002400000000, 0.0007380500000000, -0.0003646500000000 ] - [ -0.0001460800000000, -0.0005835000000000, 0.0007186300000000 ] - [ -0.0000698600000000, 0.0011867800000000, -0.0001457500000000 ] - [ -0.0000607900000000, 0.0013376300000000, 0.0007123600000000 ] - [ -0.0002250600000000, 0.0012598400000000, 0.0008762400000000 ] - [ -0.0008516000000000, -0.0009464200000000, 0.0001977100000000 ] - [ -0.0005029600000000, -0.0003853700000000, -0.0005985700000000 ] - [ -0.2059793600000000, 0.0016713400000000, 0.0889533700000000 ] - [ 0.0001735100000000, 0.0002658400000000, -0.0000625200000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0034121200000000, 0.0005892300000000, 0.0013801400000000 ] - [ 0.0002119000000000, 0.0011681900000000, -0.0002597300000000 ] - [ 0.0027655900000000, -0.0034117400000000, 0.0014571000000000 ] - [ 0.0000748600000000, 0.0021246100000000, 0.0001672400000000 ] - [ 0.0011049300000000, 0.0028332300000000, -0.0019129300000000 ] - [ -0.0012186500000000, 0.0020332000000000, 0.0000344700000000 ] - [ -0.0062171700000000, 0.0023981700000000, 0.0178264000000000 ] - [ -0.0005045000000000, 0.0017888600000000, -0.0000981700000000 ] - [ -0.0057003800000000, -0.0046831100000000, -0.0034986400000000 ] - [ -0.0000743500000000, 0.0028630700000000, -0.0003782900000000 ] - [ 0.0011096400000000, 0.0048631200000000, 0.0014095300000000 ] - [ -0.0000244200000000, 0.0023442900000000, 0.0004476900000000 ] - [ 0.0006698200000000, -0.0023151500000000, 0.0014728300000000 ] - [ -0.0001547700000000, 0.0010447300000000, -0.0008796600000000 ] - [ 0.0006808000000000, 0.0006357000000000, 0.0000601200000000 ] - [ 0.0000672100000000, 0.0028545600000000, -0.0002069600000000 ] - [ -0.0027908800000000, 0.0025399800000000, 0.0062427400000000 ] - [ -0.0001435100000000, 0.0020364000000000, -0.0000952900000000 ] - [ -0.1101867900000000, -0.2987681800000000, -0.1846906200000000 ] - [ -0.0001363600000000, 0.0012126100000000, 0.0004392600000000 ] - [ 0.0002362900000000, 0.0018491900000000, 0.0003678800000000 ] - [ 0.0002769600000000, 0.0009146500000000, 0.0013729400000000 ] - [ -0.0020499000000000, -0.0027202300000000, -0.0057733100000000 ] - [ 0.0000765600000000, 0.0013737600000000, 0.0014603500000000 ] - [ 0.0297761900000000, -0.0037969000000000, -0.0139398000000000 ] - [ 0.0001091500000000, 0.0023865200000000, 0.0001682000000000 ] - [ 0.0273509100000000, 0.0296529600000000, 0.0250431800000000 ] - [ 0.0006564700000000, 0.0016589900000000, 0.0003060100000000 ] - [ -0.0018878600000000, -0.0088998900000000, -0.0068453100000000 ] - [ 0.0004826500000000, 0.0019261100000000, 0.0004746400000000 ] - [ 0.0003967900000000, 0.0003869600000000, 0.0011206600000000 ] - [ -0.0001212200000000, -0.0001429400000000, -0.0016715000000000 ] - [ -0.0004665500000000, 0.0006749200000000, -0.0004234700000000 ] - [ 0.0017202200000000, 0.0006695100000000, -0.0008329900000000 ] - [ 0.0000898400000000, -0.0007004000000000, 0.0009805100000000 ] - [ -0.0003706100000000, 0.0017224600000000, -0.0001079700000000 ] - [ -0.0015608200000000, 0.0041304200000000, -0.0000493700000000 ] - [ 0.0014236700000000, 0.0029730000000000, 0.0008873600000000 ] - [ 0.0008006500000000, -0.0027224600000000, 0.0003003900000000 ] - [ 0.0007124700000000, 0.0013418000000000, 0.0007641600000000 ] - [ -0.0043038200000000, -0.0101952200000000, -0.0025512100000000 ] - [ -0.0001699600000000, 0.0019478300000000, -0.0001387000000000 ] - [ -0.0007477600000000, -0.0028058200000000, 0.0006463600000000 ] - [ 0.0001121300000000, 0.0022514000000000, -0.0000792500000000 ] - [ 0.0002936100000000, -0.0040035300000000, 0.0016676600000000 ] - [ 0.0002291500000000, 0.0010995600000000, 0.0003497300000000 ] - [ 0.0061313100000000, -0.0093507200000000, -0.0111803400000000 ] - [ -0.0001084200000000, 0.0013496300000000, -0.0002392000000000 ] - [ 0.0008040400000000, 0.0049365300000000, -0.0014424900000000 ] - [ 0.0005891800000000, 0.0023846400000000, 0.0010157300000000 ] - [ -0.0036210600000000, -0.0006952100000000, 0.0027282600000000 ] - [ -0.0000738900000000, 0.0014161000000000, -0.0007045800000000 ] - [ 0.0008258500000000, -0.0040679700000000, 0.0001910300000000 ] - [ -0.0003620100000000, 0.0016977100000000, -0.0002528600000000 ] - [ -0.0015803500000000, 0.0000144400000000, 0.0003559000000000 ] - [ -0.0005731400000000, 0.0010587700000000, -0.0005236400000000 ] - [ -0.0002393200000000, -0.0009797100000000, 0.0003488900000000 ] - [ 0.0000303800000000, -0.0006222300000000, 0.0005863200000000 ] - [ 0.0029513000000000, 0.0035502700000000, -0.0007233200000000 ] - [ 0.0000870200000000, -0.0013760500000000, 0.0006693600000000 ] - [ -0.0006567300000000, 0.0001227800000000, 0.0001930300000000 ] - [ 0.0006054100000000, -0.0005488300000000, 0.0001369700000000 ] - [ -0.0012298800000000, 0.0019857000000000, -0.0017918200000000 ] - [ 0.0000051100000000, -0.0009489900000000, -0.0004872800000000 ] - [ 0.0008651900000000, 0.0061034500000000, -0.0005741600000000 ] - [ 0.0000653400000000, -0.0024975600000000, -0.0005363100000000 ] - [ 0.0013631000000000, -0.0003531600000000, 0.0005632300000000 ] - [ 0.0000291400000000, -0.0003690200000000, 0.0010689600000000 ] - [ 0.0031516600000000, 0.0040133700000000, 0.0000853100000000 ] - [ 0.0005522400000000, -0.0013545300000000, 0.0005168000000000 ] - [ 0.0002620800000000, 0.0017216700000000, 0.0021427500000000 ] - [ -0.0000526800000000, -0.0007256400000000, 0.0001854300000000 ] - [ 0.0017730100000000, -0.0014289100000000, 0.0064809600000000 ] - [ -0.0001775000000000, -0.0019832700000000, -0.0007267500000000 ] - [ 0.0017319500000000, 0.0033592100000000, 0.0001431600000000 ] - [ 0.0008990300000000, -0.0005127100000000, 0.0003876500000000 ] - [ 0.0012483900000000, 0.0031666500000000, 0.0002081200000000 ] - [ 0.0005114500000000, -0.0015788000000000, 0.0004740000000000 ] - [ -0.0008377600000000, -0.0015482700000000, -0.0014281300000000 ] - [ -0.0005164400000000, -0.0008875400000000, -0.0006717400000000 ] - [ 0.0010660600000000, -0.0022155000000000, 0.0032064100000000 ] - [ 0.0000222200000000, -0.0019637900000000, -0.0013379100000000 ] - [ 0.0016427000000000, -0.0008273200000000, -0.0012444400000000 ] - [ 0.0003572500000000, -0.0007989200000000, 0.0002655800000000 ] - [ -0.0008397800000000, 0.0017310600000000, -0.0007882400000000 ] - [ -0.0000470000000000, -0.0015809900000000, 0.0003783500000000 ] - [ -0.0003082900000000, 0.0014416500000000, 0.0016413700000000 ] - [ 0.0000392400000000, -0.0007569400000000, -0.0005665900000000 ] - [ -0.0117276600000000, 0.0005217900000000, 0.0057984100000000 ] - [ 0.0001860200000000, -0.0013277600000000, -0.0003954600000000 ] - [ -0.0016001700000000, -0.0076238200000000, -0.0079356700000000 ] - [ 0.0000914800000000, -0.0006779600000000, -0.0005184800000000 ] - [ -0.0006613000000000, -0.0028525700000000, 0.0002456700000000 ] - [ -0.0001591900000000, -0.0013628300000000, -0.0000390200000000 ] - [ 0.0925389300000000, 0.1182167600000000, 0.0451496500000000 ] - [ -0.0005585600000000, -0.0006374800000000, -0.0000532000000000 ] - [ 0.0004240500000000, 0.0015280500000000, -0.0007855400000000 ] - [ -0.0000602400000000, -0.0012666900000000, -0.0005281300000000 ] - [ -0.0036006700000000, 0.0041417700000000, 0.0103947800000000 ] - [ 0.0000126700000000, -0.0009384700000000, -0.0003288200000000 ] - [ 0.0007249500000000, 0.0015272400000000, -0.0026312600000000 ] - [ 0.0001627100000000, -0.0006925800000000, 0.0003900100000000 ] - [ 0.0002929500000000, 0.0015894700000000, 0.0000925000000000 ] - [ -0.0004630900000000, -0.0009131100000000, -0.0001591200000000 ] - [ -0.0007211100000000, 0.0022898100000000, -0.0006317900000000 ] - [ 0.0000140300000000, -0.0013163100000000, 0.0000328700000000 ] - [ -0.0054348100000000, 0.0109552600000000, 0.0052337000000000 ] - [ 0.0002904000000000, -0.0021860100000000, -0.0000699900000000 ] - [ -0.0076297000000000, -0.0034012500000000, -0.0016138100000000 ] - [ -0.0005191300000000, -0.0011436200000000, -0.0003868300000000 ] - [ -0.0005641000000000, 0.0004926800000000, -0.0007074800000000 ] - [ 0.0003484900000000, -0.0012636300000000, 0.0000268400000000 ] - [ 0.0009926700000000, 0.0025851700000000, 0.0018575500000000 ] - [ -0.0004353300000000, -0.0014346900000000, -0.0003069600000000 ] - [ -0.0004923500000000, -0.0004263100000000, -0.0002552200000000 ] - [ -0.0001892900000000, -0.0021194800000000, 0.0005302100000000 ] - [ -0.0000370200000000, 0.0005437200000000, -0.0002999800000000 ] - [ -0.0000338500000000, -0.0009486700000000, 0.0002037100000000 ] - [ 0.0032280500000000, -0.0016781100000000, -0.0017005400000000 ] - [ -0.0007806500000000, -0.0018230000000000, 0.0008172300000000 ] - [ -0.0027376400000000, 0.0028415200000000, -0.0005127300000000 ] - [ -0.0002653600000000, -0.0017198400000000, 0.0005091500000000 ] - [ -0.0072032300000000, 0.1077052400000000, 0.0932406600000000 ] - [ -0.0004675900000000, -0.0007198000000000, -0.0009641600000000 ] - [ -0.0001296800000000, -0.0015936500000000, -0.0010565900000000 ] - [ -0.0000962200000000, -0.0024260800000000, 0.0018185300000000 ] - [ 0.0016181800000000, 0.0019813400000000, -0.0016210700000000 ] - [ -0.0001669800000000, -0.0007230900000000, 0.0007979400000000 ] - [ 0.0011464400000000, -0.0010702800000000, 0.0006209400000000 ] - [ -0.0011693100000000, -0.0011604900000000, 0.0005507300000000 ] - [ -0.0008524300000000, -0.0007014600000000, -0.0020941700000000 ] - [ -0.0008343300000000, -0.0002995400000000, -0.0004330500000000 ] - [ 0.0003198000000000, -0.0023933800000000, -0.0009842800000000 ] - [ -0.0001794000000000, -0.0038886300000000, -0.0001838700000000 ] - [ -0.0049600700000000, 0.0514414400000000, 0.0180980400000000 ] - [ -0.0000570500000000, -0.0008361900000000, -0.0003800700000000 ]- atom: 19 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0029579000000000, -0.0012601900000000, -0.0012837600000000 ] - [ 0.0002645300000000, -0.0018182600000000, 0.0003664600000000 ] - [ -0.0023084400000000, 0.0040539100000000, -0.0013514000000000 ] - [ 0.0003982400000000, -0.0014686800000000, -0.0000630500000000 ] - [ -0.0015998800000000, -0.0021824100000000, 0.0018159600000000 ] - [ 0.0007423500000000, -0.0013805500000000, -0.0001301900000000 ] - [ 0.0057659800000000, -0.0029603000000000, -0.0180353900000000 ] - [ 0.0000324500000000, -0.0024347600000000, -0.0000066100000000 ] - [ 0.0060522600000000, 0.0055460700000000, 0.0032916700000000 ] - [ 0.0004253600000000, -0.0019744400000000, 0.0001430300000000 ] - [ -0.0014713100000000, -0.0039246400000000, -0.0011696200000000 ] - [ -0.0003295700000000, -0.0014599100000000, -0.0002147800000000 ] - [ -0.0000875600000000, 0.0017687800000000, -0.0019563700000000 ] - [ 0.0007233800000000, -0.0015517500000000, 0.0003554300000000 ] - [ -0.0007476800000000, 0.0007115700000000, 0.0000307000000000 ] - [ -0.0001227100000000, -0.0014923700000000, 0.0002971300000000 ] - [ 0.0026045700000000, -0.0016857600000000, -0.0064733100000000 ] - [ -0.0000507200000000, -0.0011458800000000, -0.0001146000000000 ] - [ 0.1158652700000000, 0.2986906700000000, 0.1806772100000000 ] - [ -0.0006657200000000, -0.0014278300000000, -0.0006587000000000 ] - [ -0.0004850200000000, -0.0016173100000000, -0.0005564300000000 ] - [ -0.0005386200000000, -0.0007058900000000, -0.0015754000000000 ] - [ 0.0014910100000000, 0.0022543900000000, 0.0063652400000000 ] - [ -0.0006448100000000, -0.0018809100000000, -0.0009306300000000 ] - [ -0.0297586000000000, 0.0051328400000000, 0.0137356200000000 ] - [ -0.0000522900000000, -0.0010339500000000, -0.0002608800000000 ] - [ -0.0266553800000000, -0.0292145100000000, -0.0251804300000000 ] - [ -0.0000876600000000, -0.0011518300000000, -0.0008281800000000 ] - [ 0.0022254400000000, 0.0079015200000000, 0.0065072700000000 ] - [ -0.0001308000000000, -0.0028086400000000, -0.0007117100000000 ] - [ -0.0003423100000000, -0.0017306000000000, -0.0012217500000000 ] - [ 0.0001898400000000, -0.0012020700000000, 0.0015479200000000 ] - [ 0.0012808300000000, -0.0008883100000000, 0.0006416600000000 ] - [ -0.0009107900000000, -0.0008937400000000, 0.0010525500000000 ] - [ -0.0004430100000000, -0.0001689700000000, -0.0007536700000000 ] - [ 0.0000178800000000, -0.0026052400000000, 0.0003406700000000 ] - [ 0.0017804000000000, -0.0050585000000000, 0.0002567500000000 ] - [ -0.0011984800000000, -0.0038414300000000, -0.0006540800000000 ] - [ -0.0000046200000000, 0.0029557100000000, -0.0000760400000000 ] - [ 0.0000887300000000, -0.0011258700000000, -0.0005432000000000 ] - [ 0.0045950600000000, 0.0104214100000000, 0.0027453600000000 ] - [ 0.0004235600000000, -0.0017307300000000, 0.0003306900000000 ] - [ 0.0009413300000000, 0.0037210900000000, -0.0004258900000000 ] - [ 0.0000858600000000, -0.0013635000000000, 0.0002914100000000 ] - [ -0.0003637000000000, 0.0026483500000000, -0.0015877200000000 ] - [ -0.0002889500000000, -0.0024488300000000, -0.0002565600000000 ] - [ -0.0064393900000000, 0.0082216400000000, 0.0109321200000000 ] - [ -0.0000865600000000, -0.0022355500000000, 0.0000247800000000 ] - [ -0.0005189800000000, -0.0050570200000000, 0.0016493300000000 ] - [ -0.0003402100000000, -0.0026038200000000, -0.0008378800000000 ] - [ 0.0030908500000000, 0.0012323300000000, -0.0022447200000000 ] - [ -0.0004838500000000, -0.0009113400000000, 0.0012251400000000 ] - [ -0.0010895500000000, 0.0038739400000000, -0.0004324900000000 ] - [ 0.0001081300000000, -0.0019132600000000, 0.0000601200000000 ] - [ 0.0007935500000000, 0.0001873100000000, -0.0005691400000000 ] - [ -0.0002308300000000, -0.0008393600000000, 0.0003012300000000 ] - [ -0.0003760800000000, 0.0002987900000000, 0.0001014700000000 ] - [ -0.0006652000000000, -0.0000483400000000, -0.0001338300000000 ] - [ -0.0027469000000000, -0.0041767700000000, 0.0007562300000000 ] - [ 0.0000623500000000, 0.0006785100000000, -0.0005965700000000 ] - [ 0.0012739200000000, 0.0005620500000000, -0.0006420900000000 ] - [ 0.0000068200000000, 0.0012244600000000, -0.0005854400000000 ] - [ 0.0009223000000000, -0.0007954600000000, 0.0013277100000000 ] - [ -0.0003123800000000, 0.0021388600000000, 0.0000232500000000 ] - [ -0.0002054200000000, -0.0070723700000000, 0.0005274100000000 ] - [ 0.0005914300000000, 0.0014743700000000, 0.0004753800000000 ] - [ -0.0012494200000000, 0.0009920400000000, 0.0002730000000000 ] - [ 0.0000963600000000, 0.0010163200000000, -0.0002393600000000 ] - [ -0.0026579200000000, -0.0036930000000000, -0.0000339800000000 ] - [ -0.0000440900000000, 0.0016557300000000, -0.0004564800000000 ] - [ 0.0000528800000000, -0.0005272200000000, -0.0016259500000000 ] - [ 0.0003624900000000, 0.0019155100000000, 0.0002834300000000 ] - [ -0.0012448400000000, 0.0010697800000000, -0.0062840700000000 ] - [ 0.0006864800000000, 0.0016793200000000, 0.0007910800000000 ] - [ -0.0006208900000000, -0.0021367000000000, -0.0003336700000000 ] - [ 0.0002128900000000, 0.0017443500000000, -0.0005774900000000 ] - [ -0.0005846000000000, -0.0021344200000000, -0.0002736900000000 ] - [ 0.0001469400000000, 0.0025937400000000, -0.0005327300000000 ] - [ 0.0003275100000000, 0.0018329900000000, 0.0013568600000000 ] - [ 0.0000127900000000, 0.0011968800000000, 0.0006148600000000 ] - [ -0.0012248700000000, 0.0015394100000000, -0.0033220800000000 ] - [ -0.0001724800000000, 0.0012621100000000, 0.0012544800000000 ] - [ -0.0012866000000000, 0.0006987200000000, 0.0010036000000000 ] - [ 0.0000087900000000, 0.0006595600000000, -0.0005077000000000 ] - [ 0.0003364400000000, -0.0020548900000000, 0.0007421900000000 ] - [ -0.0004600500000000, 0.0012761400000000, -0.0004373100000000 ] - [ 0.0000457200000000, -0.0009123000000000, -0.0016547000000000 ] - [ -0.0003094100000000, 0.0013049400000000, 0.0005720500000000 ] - [ 0.0120386200000000, -0.0009943300000000, -0.0057801700000000 ] - [ 0.0000846100000000, 0.0007802600000000, 0.0003874700000000 ] - [ 0.0018018000000000, 0.0084235000000000, 0.0080450800000000 ] - [ 0.0000574400000000, 0.0013729900000000, 0.0005875900000000 ] - [ 0.0003594800000000, 0.0016394200000000, -0.0006993200000000 ] - [ -0.0001458800000000, 0.0001726700000000, -0.0004257400000000 ] - [ -0.0981646300000000, -0.1192503300000000, -0.0467098400000000 ] - [ -0.0000583500000000, 0.0013133300000000, 0.0005018300000000 ] - [ 0.0001973400000000, -0.0022076600000000, 0.0003346600000000 ] - [ 0.0006792000000000, 0.0005881100000000, 0.0000777200000000 ] - [ 0.0035518500000000, -0.0038022500000000, -0.0108169000000000 ] - [ -0.0000671600000000, 0.0012925200000000, -0.0000783500000000 ] - [ -0.0004499700000000, -0.0009686000000000, 0.0026137500000000 ] - [ 0.0001078800000000, 0.0012374600000000, -0.0003976400000000 ] - [ -0.0006603000000000, -0.0017373500000000, 0.0001418000000000 ] - [ 0.0000964600000000, 0.0007737400000000, 0.0003976400000000 ] - [ 0.0007802900000000, -0.0026382300000000, 0.0010588600000000 ] - [ 0.0000414000000000, 0.0009595300000000, 0.0003750400000000 ] - [ 0.0057884100000000, -0.0121560800000000, -0.0047853500000000 ] - [ 0.0000196900000000, 0.0009896500000000, 0.0005358500000000 ] - [ 0.0068725600000000, 0.0043496300000000, 0.0016617200000000 ] - [ -0.0001365700000000, 0.0021647000000000, 0.0004487400000000 ] - [ 0.0004119400000000, -0.0011135200000000, -0.0001335100000000 ] - [ -0.0004777400000000, 0.0006198100000000, -0.0008563800000000 ] - [ -0.0008709300000000, -0.0032533400000000, -0.0010398300000000 ] - [ 0.0005647000000000, 0.0007914500000000, 0.0011363500000000 ] - [ -0.0001625100000000, -0.0006078100000000, 0.0003195200000000 ] - [ -0.0004642000000000, 0.0010971800000000, -0.0004613600000000 ] - [ 0.0000999500000000, -0.0001845700000000, 0.0007113100000000 ] - [ 0.0000880900000000, 0.0012967000000000, 0.0002057200000000 ] - [ -0.0035392000000000, 0.0011273400000000, 0.0017441000000000 ] - [ 0.0004981100000000, 0.0012703500000000, -0.0008082100000000 ] - [ 0.0017053100000000, -0.0040979400000000, 0.0007622400000000 ] - [ -0.0008470800000000, 0.0004862800000000, -0.0003177100000000 ] - [ 0.0067414200000000, -0.1056350500000000, -0.0893306200000000 ] - [ 0.0003363900000000, 0.0013613000000000, 0.0001331400000000 ] - [ 0.0000770900000000, 0.0012336300000000, 0.0006591800000000 ] - [ 0.0000341100000000, 0.0020355400000000, -0.0021985200000000 ] - [ -0.0017679300000000, -0.0013136400000000, 0.0015644800000000 ] - [ 0.0000145900000000, 0.0014186700000000, -0.0008675400000000 ] - [ -0.0015285600000000, 0.0012138000000000, -0.0003813600000000 ] - [ 0.0007898300000000, 0.0013060100000000, -0.0003172200000000 ] - [ -0.0002531700000000, 0.0019488000000000, 0.0022992600000000 ] - [ -0.0002813300000000, 0.0015255700000000, 0.0006165700000000 ] - [ 0.0007948200000000, 0.0011708300000000, 0.0008032800000000 ] - [ 0.0012736200000000, 0.0026180000000000, -0.0000292100000000 ] - [ 0.0040092700000000, -0.0509777300000000, -0.0175754600000000 ] - [ 0.0004232900000000, 0.0009739400000000, 0.0001406100000000 ]- atom: 19 displacement: [ -0.0045139598196510, 0.0000000000000000, 0.0089232374588249 ] forces: - [ 0.0034140600000000, -0.0000052300000000, 0.0004370100000000 ] - [ 0.0004027400000000, 0.0002711100000000, -0.0001461100000000 ] - [ -0.0031899400000000, -0.0000399500000000, 0.0003806300000000 ] - [ 0.0001451000000000, 0.0007907900000000, 0.0000805700000000 ] - [ -0.0006161200000000, -0.0016303200000000, 0.0001425400000000 ] - [ -0.0007036900000000, 0.0020386800000000, 0.0001322200000000 ] - [ 0.0090178200000000, 0.0168063800000000, 0.0187206700000000 ] - [ -0.0003860000000000, -0.0001444900000000, -0.0001492700000000 ] - [ -0.0065642500000000, 0.0034494100000000, -0.0013020900000000 ] - [ 0.0001451100000000, 0.0008627000000000, -0.0001364800000000 ] - [ -0.0009375400000000, -0.0004617700000000, -0.0003186600000000 ] - [ -0.0000761900000000, 0.0011856100000000, 0.0000611400000000 ] - [ -0.0029531200000000, -0.0047896000000000, 0.0081213300000000 ] - [ -0.0000246500000000, 0.0001951900000000, -0.0003007300000000 ] - [ -0.0012371400000000, 0.0019379600000000, -0.0014393200000000 ] - [ -0.0008955600000000, 0.0004716700000000, 0.0001244300000000 ] - [ -0.0042341100000000, 0.0031947700000000, 0.0089215600000000 ] - [ -0.0000653500000000, 0.0004976400000000, -0.0000829100000000 ] - [ 0.2789581900000000, -0.1157551100000000, -0.4051215200000000 ] - [ -0.0002680200000000, 0.0002639400000000, -0.0000526200000000 ] - [ -0.0003171200000000, 0.0000317900000000, 0.0001195500000000 ] - [ 0.0004623000000000, 0.0004566500000000, 0.0013222300000000 ] - [ 0.0000474000000000, -0.0042519700000000, 0.0007972600000000 ] - [ -0.0001009400000000, 0.0005016800000000, 0.0006312000000000 ] - [ -0.0129949900000000, -0.0112409100000000, -0.0084334400000000 ] - [ 0.0001901900000000, 0.0011685900000000, -0.0000059900000000 ] - [ 0.0481782800000000, 0.0285923600000000, 0.0071736300000000 ] - [ 0.0004904000000000, 0.0005934800000000, -0.0002876000000000 ] - [ 0.0019307100000000, -0.0041151300000000, 0.0046836100000000 ] - [ 0.0003007500000000, 0.0003365500000000, 0.0000407500000000 ] - [ -0.0003546700000000, 0.0000941300000000, 0.0005850600000000 ] - [ -0.0005801700000000, -0.0018075000000000, 0.0010997600000000 ] - [ -0.0003294200000000, 0.0013255400000000, -0.0010271100000000 ] - [ 0.0006177800000000, -0.0000250900000000, -0.0005513600000000 ] - [ -0.0003350100000000, 0.0006787700000000, -0.0001780300000000 ] - [ -0.0001109400000000, -0.0001555300000000, 0.0002436600000000 ] - [ 0.0029651400000000, 0.0016967400000000, -0.0051482200000000 ] - [ 0.0002106900000000, 0.0002712600000000, -0.0005907700000000 ] - [ 0.0013754200000000, 0.0000927700000000, 0.0034185600000000 ] - [ 0.0005496300000000, 0.0005516300000000, 0.0003511200000000 ] - [ -0.0059491900000000, -0.0033626600000000, 0.0089743000000000 ] - [ 0.0000515700000000, 0.0005898400000000, 0.0001170200000000 ] - [ -0.0020789400000000, -0.0018435500000000, 0.0062611700000000 ] - [ -0.0000735400000000, 0.0009937700000000, 0.0003161400000000 ] - [ 0.0032332700000000, 0.0002306200000000, 0.0009090900000000 ] - [ 0.0002021400000000, -0.0002709400000000, 0.0001342700000000 ] - [ -0.0450951700000000, -0.0274276900000000, -0.0206229300000000 ] - [ -0.0001355100000000, 0.0000579500000000, -0.0001256700000000 ] - [ -0.0013724000000000, -0.0053576800000000, -0.0037339900000000 ] - [ 0.0004085600000000, 0.0009961500000000, -0.0001922200000000 ] - [ -0.0043692900000000, 0.0035604800000000, 0.0020245200000000 ] - [ -0.0004153000000000, 0.0004343600000000, 0.0000088100000000 ] - [ -0.0007756100000000, 0.0008958800000000, -0.0088826000000000 ] - [ -0.0001697000000000, 0.0003559000000000, -0.0001113800000000 ] - [ -0.0026658400000000, -0.0008357500000000, 0.0039151100000000 ] - [ -0.0008538400000000, 0.0003991700000000, 0.0002716600000000 ] - [ 0.0002150300000000, -0.0005392200000000, -0.0001629900000000 ] - [ 0.0007574300000000, -0.0001878400000000, -0.0007994000000000 ] - [ 0.0094347100000000, 0.0069513200000000, -0.0057984600000000 ] - [ 0.0001276200000000, -0.0006390500000000, 0.0001478200000000 ] - [ 0.0008206500000000, 0.0001389200000000, 0.0002425500000000 ] - [ 0.0011641300000000, -0.0001975900000000, -0.0000147400000000 ] - [ -0.0018995100000000, 0.0003853800000000, -0.0016142700000000 ] - [ -0.0001976900000000, 0.0003513700000000, -0.0003365400000000 ] - [ -0.0026749700000000, -0.0001723900000000, -0.0023680400000000 ] - [ 0.0002062100000000, -0.0011017400000000, -0.0001830200000000 ] - [ 0.0017974400000000, -0.0011338200000000, 0.0012541900000000 ] - [ 0.0001715100000000, 0.0001309400000000, 0.0007851100000000 ] - [ 0.0037877800000000, 0.0005612400000000, -0.0017287200000000 ] - [ 0.0003310000000000, -0.0001838300000000, 0.0000898400000000 ] - [ 0.0001085300000000, 0.0025966800000000, -0.0021652200000000 ] - [ 0.0001253600000000, 0.0000163100000000, 0.0001763800000000 ] - [ -0.0015878100000000, 0.0057410700000000, 0.0001328300000000 ] - [ 0.0001232000000000, -0.0008812200000000, -0.0001101400000000 ] - [ 0.0016292400000000, 0.0027413100000000, -0.0057894400000000 ] - [ 0.0007031900000000, 0.0003089700000000, -0.0000533500000000 ] - [ 0.0016691500000000, -0.0017044700000000, 0.0010296300000000 ] - [ 0.0005445300000000, 0.0003474600000000, 0.0000590800000000 ] - [ -0.0000665400000000, 0.0005160700000000, 0.0001275600000000 ] - [ -0.0005724100000000, -0.0004297000000000, -0.0003672000000000 ] - [ -0.0012584600000000, 0.0013828300000000, 0.0019154400000000 ] - [ -0.0001153800000000, -0.0008834300000000, 0.0000061600000000 ] - [ 0.0027961300000000, -0.0009997900000000, -0.0029087700000000 ] - [ 0.0003923800000000, 0.0000545600000000, -0.0003700100000000 ] - [ 0.0005525100000000, -0.0019345500000000, 0.0016674500000000 ] - [ -0.0002412300000000, -0.0004378800000000, -0.0000512600000000 ] - [ 0.0003419500000000, 0.0010423000000000, -0.0016693100000000 ] - [ -0.0000580500000000, -0.0002095100000000, -0.0002780000000000 ] - [ -0.0168824300000000, 0.0067340500000000, 0.0212241400000000 ] - [ 0.0000761600000000, -0.0006161800000000, -0.0000543600000000 ] - [ -0.0074999900000000, -0.0091494000000000, -0.0117869900000000 ] - [ -0.0000268300000000, 0.0002014000000000, 0.0000412000000000 ] - [ 0.0003007600000000, 0.0000391000000000, -0.0001253500000000 ] - [ -0.0000423200000000, -0.0013213800000000, 0.0001222800000000 ] - [ -0.0396566800000000, 0.0032650800000000, 0.0499602600000000 ] - [ -0.0004778800000000, 0.0000814500000000, 0.0002197800000000 ] - [ -0.0018396500000000, -0.0006376700000000, -0.0006350200000000 ] - [ 0.0000834800000000, -0.0006140600000000, -0.0003016700000000 ] - [ 0.0027265800000000, 0.0028880100000000, 0.0012193800000000 ] - [ -0.0000224900000000, -0.0001837100000000, -0.0002536300000000 ] - [ 0.0034083700000000, 0.0014607000000000, -0.0054819500000000 ] - [ 0.0002578000000000, 0.0001165300000000, -0.0000284600000000 ] - [ 0.0005830800000000, 0.0003984700000000, -0.0016727200000000 ] - [ -0.0002412600000000, -0.0003310000000000, -0.0000027400000000 ] - [ -0.0005137300000000, 0.0014692300000000, 0.0024700200000000 ] - [ -0.0000076600000000, -0.0004791400000000, 0.0001309000000000 ] - [ 0.0034174700000000, 0.0005983600000000, 0.0025139400000000 ] - [ 0.0001607600000000, -0.0009505500000000, 0.0001874400000000 ] - [ -0.0001194500000000, 0.0016614200000000, 0.0004756400000000 ] - [ -0.0004299300000000, -0.0001267600000000, -0.0000862400000000 ] - [ 0.0002614900000000, 0.0023125000000000, -0.0036954600000000 ] - [ 0.0001565100000000, -0.0006441800000000, -0.0005214600000000 ] - [ -0.0008395500000000, 0.0011741500000000, -0.0012803500000000 ] - [ -0.0001565100000000, -0.0007370000000000, 0.0001640700000000 ] - [ -0.0001936000000000, -0.0014287700000000, 0.0001869000000000 ] - [ -0.0005196000000000, -0.0004432200000000, -0.0003497200000000 ] - [ 0.0001043200000000, 0.0003750400000000, 0.0002726000000000 ] - [ 0.0002068300000000, 0.0001949800000000, 0.0001293800000000 ] - [ 0.0005603300000000, -0.0063875600000000, 0.0010100000000000 ] - [ -0.0002100700000000, -0.0006735000000000, 0.0004121500000000 ] - [ 0.0124002900000000, -0.0019164300000000, 0.0105837700000000 ] - [ -0.0004639600000000, -0.0009044700000000, 0.0001826900000000 ] - [ -0.0477873200000000, 0.0873184600000000, 0.1853606800000000 ] - [ -0.0002029900000000, 0.0000489500000000, -0.0004998000000000 ] - [ -0.0003131600000000, -0.0014115400000000, -0.0002880200000000 ] - [ 0.0004562600000000, 0.0014951500000000, -0.0005405000000000 ] - [ 0.0023804700000000, -0.0003277300000000, -0.0040520400000000 ] - [ 0.0000359200000000, 0.0001353400000000, 0.0000818900000000 ] - [ -0.0001352800000000, -0.0007749800000000, 0.0013256900000000 ] - [ -0.0004216300000000, -0.0003613700000000, 0.0006774900000000 ] - [ -0.0007814200000000, -0.0008146600000000, -0.0024690500000000 ] - [ -0.0006151300000000, 0.0006934700000000, -0.0000123700000000 ] - [ -0.0004028800000000, -0.0013927600000000, 0.0006552900000000 ] - [ 0.0006601000000000, -0.0005719600000000, 0.0029614500000000 ] - [ -0.1787354600000000, 0.0157184100000000, 0.1492613600000000 ] - [ 0.0001062700000000, -0.0001620500000000, -0.0001372200000000 ]- atom: 19 displacement: [ 0.0045139598196510, 0.0000000000000000, -0.0089232374588249 ] forces: - [ -0.0029310400000000, -0.0006378900000000, -0.0003191000000000 ] - [ 0.0000699900000000, -0.0009226800000000, 0.0002495100000000 ] - [ 0.0036998400000000, 0.0006752800000000, -0.0002592600000000 ] - [ 0.0003281100000000, -0.0001307900000000, 0.0000247300000000 ] - [ 0.0001468500000000, 0.0022897400000000, -0.0002704100000000 ] - [ 0.0002299300000000, -0.0013826900000000, -0.0002405700000000 ] - [ -0.0096180000000000, -0.0176785000000000, -0.0189326200000000 ] - [ -0.0000882500000000, -0.0005042800000000, 0.0000451300000000 ] - [ 0.0068846200000000, -0.0025726900000000, 0.0009887000000000 ] - [ 0.0002064900000000, 0.0000314800000000, -0.0000991000000000 ] - [ 0.0005986000000000, 0.0014096000000000, 0.0005676600000000 ] - [ -0.0002759000000000, -0.0002958900000000, 0.0001736900000000 ] - [ 0.0035394600000000, 0.0042978300000000, -0.0086584400000000 ] - [ 0.0005926700000000, -0.0007009700000000, -0.0002237900000000 ] - [ 0.0011851700000000, -0.0005905100000000, 0.0015331300000000 ] - [ 0.0008417400000000, 0.0008958000000000, -0.0000334300000000 ] - [ 0.0040460800000000, -0.0023020400000000, -0.0091384300000000 ] - [ -0.0001286000000000, 0.0003940900000000, -0.0001304700000000 ] - [ -0.2948607000000000, 0.1083540000000000, 0.4023967600000000 ] - [ -0.0005324800000000, -0.0004776200000000, -0.0001664300000000 ] - [ 0.0000676700000000, 0.0001989800000000, -0.0003075400000000 ] - [ -0.0007160800000000, -0.0002386000000000, -0.0015113200000000 ] - [ -0.0006087600000000, 0.0037207200000000, -0.0003124500000000 ] - [ -0.0004662100000000, -0.0010060200000000, -0.0001058500000000 ] - [ 0.0131554800000000, 0.0125729100000000, 0.0080285700000000 ] - [ -0.0001303900000000, 0.0001873200000000, -0.0000868500000000 ] - [ -0.0477035300000000, -0.0279591000000000, -0.0075383300000000 ] - [ 0.0000793900000000, -0.0000818700000000, -0.0002346500000000 ] - [ -0.0015945300000000, 0.0032369600000000, -0.0049241300000000 ] - [ 0.0000528000000000, -0.0012165200000000, -0.0002713200000000 ] - [ 0.0004155700000000, -0.0014451200000000, -0.0006727200000000 ] - [ 0.0006380400000000, 0.0004618300000000, -0.0011943800000000 ] - [ 0.0011314200000000, -0.0015452700000000, 0.0012501600000000 ] - [ 0.0001873800000000, -0.0001873500000000, 0.0007690900000000 ] - [ -0.0000170100000000, -0.0015729000000000, 0.0004133000000000 ] - [ -0.0002427400000000, -0.0007227100000000, -0.0000102600000000 ] - [ -0.0027873800000000, -0.0025700700000000, 0.0053713600000000 ] - [ -0.0000190900000000, -0.0011541100000000, 0.0008052000000000 ] - [ -0.0005608500000000, 0.0001215800000000, -0.0031937800000000 ] - [ 0.0002513600000000, -0.0003326000000000, -0.0001298500000000 ] - [ 0.0061343000000000, 0.0035544200000000, -0.0087607700000000 ] - [ 0.0002028000000000, -0.0003696000000000, 0.0000760600000000 ] - [ 0.0022947000000000, 0.0027091600000000, -0.0060397800000000 ] - [ 0.0002701900000000, -0.0001017700000000, -0.0001029600000000 ] - [ -0.0033042800000000, -0.0015972200000000, -0.0008097500000000 ] - [ -0.0002617700000000, -0.0010755400000000, -0.0000402000000000 ] - [ 0.0452732400000000, 0.0264779800000000, 0.0203127200000000 ] - [ -0.0000612200000000, -0.0009404200000000, -0.0000887600000000 ] - [ 0.0016317700000000, 0.0051488300000000, 0.0039392300000000 ] - [ -0.0001535100000000, -0.0012036200000000, 0.0003922900000000 ] - [ 0.0038036000000000, -0.0030747800000000, -0.0014774200000000 ] - [ -0.0001543000000000, 0.0000782100000000, 0.0005124700000000 ] - [ 0.0005293100000000, -0.0011281400000000, 0.0087097900000000 ] - [ -0.0000864100000000, -0.0005661700000000, -0.0000831400000000 ] - [ 0.0018637800000000, 0.0010621100000000, -0.0041452900000000 ] - [ 0.0000539900000000, -0.0001825100000000, -0.0004934700000000 ] - [ -0.0008298400000000, -0.0001369300000000, 0.0006120300000000 ] - [ -0.0013696600000000, -0.0004930800000000, 0.0012507800000000 ] - [ -0.0092928900000000, -0.0076170700000000, 0.0058703100000000 ] - [ 0.0000226200000000, -0.0000603900000000, -0.0000752500000000 ] - [ -0.0002130700000000, 0.0005358200000000, -0.0006888500000000 ] - [ -0.0005552200000000, 0.0008716300000000, -0.0004314800000000 ] - [ 0.0015997200000000, 0.0008138700000000, 0.0011540700000000 ] - [ -0.0001112200000000, 0.0008378900000000, -0.0001289700000000 ] - [ 0.0033591000000000, -0.0008365700000000, 0.0023059700000000 ] - [ 0.0004498400000000, 0.0000743400000000, 0.0001208500000000 ] - [ -0.0016715500000000, 0.0017813400000000, -0.0004318900000000 ] - [ -0.0000421200000000, 0.0005085100000000, 0.0000461500000000 ] - [ -0.0032462800000000, -0.0002618000000000, 0.0018154200000000 ] - [ 0.0001792900000000, 0.0004825000000000, -0.0000271900000000 ] - [ 0.0001986800000000, -0.0014046800000000, 0.0026289700000000 ] - [ 0.0001842200000000, 0.0011774100000000, 0.0002877300000000 ] - [ 0.0021222300000000, -0.0060749500000000, -0.0000825000000000 ] - [ 0.0003847700000000, 0.0005717100000000, 0.0001686200000000 ] - [ -0.0005129300000000, -0.0014949500000000, 0.0056070500000000 ] - [ 0.0004107900000000, 0.0009215200000000, -0.0001333300000000 ] - [ -0.0010115400000000, 0.0027399900000000, -0.0010798000000000 ] - [ 0.0001139100000000, 0.0006641100000000, -0.0001151100000000 ] - [ -0.0004492100000000, -0.0002311500000000, -0.0002064800000000 ] - [ 0.0000629000000000, 0.0007317300000000, 0.0003042600000000 ] - [ 0.0011141900000000, -0.0020872800000000, -0.0019599400000000 ] - [ -0.0000349900000000, 0.0001842300000000, -0.0000791500000000 ] - [ -0.0024313300000000, 0.0008571000000000, 0.0026723300000000 ] - [ -0.0000277400000000, -0.0001929900000000, 0.0001312700000000 ] - [ -0.0010660600000000, 0.0016398400000000, -0.0017318400000000 ] - [ -0.0002673200000000, 0.0001290600000000, -0.0000089000000000 ] - [ -0.0006241000000000, -0.0004829600000000, 0.0016873700000000 ] - [ -0.0002124500000000, 0.0007524300000000, 0.0002844600000000 ] - [ 0.0170092200000000, -0.0074032400000000, -0.0213385200000000 ] - [ 0.0001949400000000, 0.0000683100000000, 0.0000470600000000 ] - [ 0.0077212400000000, 0.0098749500000000, 0.0119008800000000 ] - [ 0.0001781000000000, 0.0004920600000000, 0.0000276700000000 ] - [ -0.0006132200000000, -0.0012571100000000, -0.0003292300000000 ] - [ -0.0002686200000000, 0.0001256300000000, -0.0005869900000000 ] - [ 0.0402934200000000, -0.0018392700000000, -0.0490568100000000 ] - [ -0.0001366000000000, 0.0005926700000000, 0.0002276700000000 ] - [ 0.0024543000000000, -0.0000350400000000, 0.0001797800000000 ] - [ 0.0005317500000000, -0.0000656700000000, -0.0001485600000000 ] - [ -0.0027733900000000, -0.0025110800000000, -0.0015456200000000 ] - [ -0.0000306600000000, 0.0005351200000000, -0.0001528100000000 ] - [ -0.0031455300000000, -0.0009202000000000, 0.0054763100000000 ] - [ 0.0000126200000000, 0.0004259000000000, 0.0000213800000000 ] - [ -0.0009638800000000, -0.0005326600000000, 0.0019087100000000 ] - [ -0.0001260800000000, 0.0001903900000000, 0.0002419600000000 ] - [ 0.0005645000000000, -0.0018144200000000, -0.0020651300000000 ] - [ 0.0000607100000000, 0.0001216300000000, 0.0002744600000000 ] - [ -0.0031740800000000, -0.0017134000000000, -0.0019851300000000 ] - [ 0.0001496100000000, -0.0002501200000000, 0.0002769400000000 ] - [ -0.0006636800000000, -0.0006958400000000, -0.0004378000000000 ] - [ -0.0002274400000000, 0.0011440300000000, 0.0001461300000000 ] - [ -0.0003940100000000, -0.0029650900000000, 0.0028747400000000 ] - [ -0.0002852400000000, 0.0000002400000000, -0.0003076100000000 ] - [ 0.0009689500000000, -0.0018052300000000, 0.0021143500000000 ] - [ 0.0002848800000000, 0.0000920500000000, 0.0006638200000000 ] - [ -0.0004635600000000, 0.0004113500000000, -0.0001271600000000 ] - [ -0.0001373700000000, -0.0005847600000000, 0.0004107600000000 ] - [ -0.0000536200000000, -0.0000179000000000, 0.0001323900000000 ] - [ -0.0001554500000000, 0.0001518600000000, 0.0002771500000000 ] - [ -0.0008137000000000, 0.0058682800000000, -0.0010252200000000 ] - [ -0.0000597500000000, 0.0001249100000000, -0.0004037000000000 ] - [ -0.0135520300000000, 0.0007044100000000, -0.0104017300000000 ] - [ -0.0006487300000000, -0.0003326500000000, 0.0000070600000000 ] - [ 0.0478254000000000, -0.0794445300000000, -0.1770688800000000 ] - [ 0.0000734200000000, 0.0005903000000000, -0.0003320300000000 ] - [ 0.0002628200000000, 0.0010568800000000, -0.0001248700000000 ] - [ -0.0005108700000000, -0.0018536400000000, 0.0001343300000000 ] - [ -0.0025361600000000, 0.0010455100000000, 0.0039683800000000 ] - [ -0.0001868800000000, 0.0005573400000000, -0.0001500500000000 ] - [ -0.0002281100000000, 0.0009125300000000, -0.0010862000000000 ] - [ 0.0000553300000000, 0.0004929000000000, -0.0004365500000000 ] - [ -0.0003356600000000, 0.0020473100000000, 0.0026562600000000 ] - [ -0.0005016400000000, 0.0005351500000000, 0.0001940700000000 ] - [ 0.0015211900000000, 0.0001550200000000, -0.0008476500000000 ] - [ 0.0004553200000000, -0.0006612700000000, -0.0031540300000000 ] - [ 0.1927724700000000, -0.0162217500000000, -0.1562663500000000 ] - [ 0.0002597700000000, 0.0002976400000000, -0.0001031300000000 ]- atom: 21 displacement: [ 0.0099999786541794, 0.0000000000000000, -0.0000206619446251 ] forces: - [ 0.0002268000000000, 0.0000663000000000, -0.0000187500000000 ] - [ -0.0041447000000000, -0.0004071500000000, 0.0002002900000000 ] - [ -0.0006789500000000, 0.0017646100000000, -0.0002560700000000 ] - [ -0.0016210700000000, 0.0002273600000000, -0.0015297400000000 ] - [ 0.0021625500000000, -0.0005040700000000, 0.0028098800000000 ] - [ -0.0001140700000000, 0.0007539000000000, -0.0000072400000000 ] - [ 0.0019721400000000, -0.0001154200000000, 0.0003607300000000 ] - [ 0.0000351300000000, -0.0001679100000000, 0.0001186100000000 ] - [ 0.0001729300000000, 0.0012295200000000, 0.0003766100000000 ] - [ 0.0006001000000000, -0.0002976600000000, 0.0007019800000000 ] - [ 0.0044461200000000, 0.0112816700000000, 0.0168800300000000 ] - [ -0.0001635500000000, 0.0008590900000000, 0.0001127900000000 ] - [ 0.0001041000000000, -0.0001031100000000, -0.0003358900000000 ] - [ 0.0044828200000000, 0.0018596000000000, -0.0028905900000000 ] - [ -0.0001705800000000, 0.0011272000000000, -0.0000251000000000 ] - [ -0.0015300200000000, -0.0019634600000000, 0.0051434200000000 ] - [ -0.0001026200000000, 0.0008064200000000, -0.0001185500000000 ] - [ 0.0119810300000000, 0.0086151900000000, 0.0157029400000000 ] - [ 0.0004587400000000, 0.0002524800000000, 0.0001140700000000 ] - [ 0.0000689700000000, 0.0002964200000000, 0.0007911300000000 ] - [ -0.1791819100000000, -0.0732318400000000, -0.0967035400000000 ] - [ -0.0000977000000000, 0.0005496700000000, -0.0001440300000000 ] - [ -0.0011930900000000, -0.0029654900000000, 0.0013450300000000 ] - [ -0.0001392400000000, 0.0001523000000000, 0.0004846900000000 ] - [ 0.0016414100000000, 0.0028868400000000, 0.0024110100000000 ] - [ 0.0003504500000000, 0.0004595600000000, 0.0000829600000000 ] - [ 0.0004009300000000, 0.0004367000000000, -0.0002140400000000 ] - [ 0.0005201800000000, 0.0018635100000000, 0.0025197600000000 ] - [ 0.0003030600000000, 0.0001934200000000, -0.0000765700000000 ] - [ 0.0011567600000000, -0.0029272400000000, -0.0006796200000000 ] - [ 0.0037573500000000, -0.0014070700000000, -0.0027750300000000 ] - [ 0.0000201000000000, -0.0002760600000000, -0.0001062800000000 ] - [ -0.0015130600000000, 0.0042694400000000, -0.0075709700000000 ] - [ 0.0002807100000000, 0.0001887200000000, -0.0000363400000000 ] - [ -0.0002309600000000, 0.0003298400000000, -0.0015237600000000 ] - [ -0.0002604800000000, -0.0000037300000000, -0.0000818200000000 ] - [ 0.0023942500000000, 0.0004897000000000, 0.0007009600000000 ] - [ 0.0001061500000000, -0.0000173800000000, 0.0001751600000000 ] - [ -0.0010976600000000, 0.0007599100000000, -0.0023184100000000 ] - [ 0.0000012900000000, 0.0005731800000000, 0.0002231500000000 ] - [ 0.0004513000000000, 0.0003287800000000, 0.0010898700000000 ] - [ 0.0004513900000000, 0.0001786000000000, 0.0004930400000000 ] - [ -0.0007723200000000, -0.0023875800000000, 0.0006505600000000 ] - [ 0.0002908300000000, 0.0010776400000000, 0.0001568300000000 ] - [ 0.0001732000000000, 0.0003199700000000, -0.0002847200000000 ] - [ -0.0008170800000000, -0.0009281800000000, -0.0005878900000000 ] - [ -0.0001387700000000, -0.0004392500000000, -0.0001537700000000 ] - [ 0.0003187800000000, 0.0008123200000000, -0.0005820200000000 ] - [ 0.0002287100000000, 0.0003303500000000, 0.0001759100000000 ] - [ 0.0032383200000000, -0.0015844200000000, 0.0032898300000000 ] - [ 0.0055026200000000, -0.0043128800000000, 0.0024659100000000 ] - [ -0.0003641700000000, 0.0006308900000000, 0.0000483000000000 ] - [ -0.0005362400000000, 0.0000185400000000, -0.0005135000000000 ] - [ -0.0003744400000000, 0.0003150100000000, -0.0004734400000000 ] - [ -0.0004370800000000, 0.0003440300000000, -0.0001760500000000 ] - [ 0.0038241100000000, -0.0008526500000000, 0.0013060200000000 ] - [ -0.0032040200000000, 0.0006831200000000, 0.0002500400000000 ] - [ -0.0002762500000000, -0.0005346800000000, 0.0002637200000000 ] - [ 0.0002435800000000, -0.0004418100000000, 0.0000932600000000 ] - [ -0.0000944300000000, -0.0015598100000000, 0.0020494200000000 ] - [ 0.0004594300000000, 0.0001170500000000, -0.0001608300000000 ] - [ 0.0061180500000000, -0.0022736600000000, -0.0025102700000000 ] - [ -0.0006390500000000, -0.0001226300000000, 0.0003171700000000 ] - [ -0.0000352800000000, 0.0004945600000000, -0.0001407800000000 ] - [ 0.0000762400000000, -0.0010816100000000, -0.0001687100000000 ] - [ 0.0005282200000000, 0.0007152600000000, 0.0003606800000000 ] - [ -0.0027653400000000, 0.0040210700000000, 0.0047829400000000 ] - [ 0.0001846800000000, 0.0000645900000000, 0.0005695100000000 ] - [ 0.0001716100000000, -0.0000007500000000, -0.0002803900000000 ] - [ -0.0001380600000000, 0.0003240700000000, -0.0004294600000000 ] - [ 0.0001211700000000, 0.0002004100000000, 0.0003234100000000 ] - [ -0.0006492400000000, 0.0015917600000000, 0.0011199600000000 ] - [ 0.0001306400000000, -0.0005267700000000, -0.0000978200000000 ] - [ -0.0007825000000000, 0.0007925500000000, 0.0000906400000000 ] - [ 0.0002882200000000, 0.0013241900000000, -0.0008005000000000 ] - [ 0.0003283100000000, 0.0003134400000000, -0.0003129200000000 ] - [ 0.0004066300000000, -0.0000916700000000, -0.0000056400000000 ] - [ 0.0003722000000000, 0.0017922000000000, 0.0013827700000000 ] - [ 0.0548524000000000, 0.0410342500000000, 0.0049368800000000 ] - [ -0.0002806000000000, -0.0001726000000000, -0.0000689100000000 ] - [ -0.0006835900000000, 0.0001141300000000, -0.0006449700000000 ] - [ -0.0000997900000000, -0.0006243100000000, -0.0002431000000000 ] - [ 0.0002338800000000, -0.0002577100000000, -0.0000701000000000 ] - [ -0.0015152300000000, 0.0009038100000000, -0.0012333500000000 ] - [ 0.0003486900000000, -0.0004153600000000, 0.0006997100000000 ] - [ -0.0001293400000000, -0.0005303700000000, 0.0001925100000000 ] - [ -0.0003137900000000, 0.0017552800000000, -0.0007455000000000 ] - [ -0.0001667800000000, -0.0000222400000000, -0.0001642100000000 ] - [ 0.0001038700000000, -0.0003867600000000, -0.0000001100000000 ] - [ 0.0006556300000000, -0.0008594700000000, -0.0009058900000000 ] - [ 0.0000844800000000, 0.0001550800000000, -0.0000316000000000 ] - [ -0.0006752700000000, -0.0042716800000000, -0.0059151300000000 ] - [ -0.0000072400000000, 0.0021716400000000, -0.0072727300000000 ] - [ -0.0001754400000000, -0.0009323500000000, -0.0001687300000000 ] - [ -0.0018410100000000, -0.0002767100000000, -0.0001132600000000 ] - [ -0.0007829600000000, 0.0001167300000000, -0.0000672100000000 ] - [ 0.0006460000000000, -0.0008061300000000, 0.0004762600000000 ] - [ 0.0008650500000000, -0.0004803400000000, -0.0000860900000000 ] - [ -0.0005477200000000, -0.0002201600000000, -0.0015717700000000 ] - [ -0.0001321900000000, 0.0000788200000000, -0.0004437800000000 ] - [ 0.0002514600000000, 0.0000361000000000, 0.0001274700000000 ] - [ -0.0028482400000000, -0.0029646300000000, 0.0017701500000000 ] - [ 0.0015775600000000, -0.0000295900000000, 0.0008951000000000 ] - [ -0.0000203300000000, -0.0005975400000000, 0.0000727600000000 ] - [ 0.0000804200000000, -0.0003909700000000, 0.0006230700000000 ] - [ 0.0003211700000000, -0.0003314900000000, 0.0005343600000000 ] - [ 0.0000626200000000, -0.0017066100000000, -0.0003933600000000 ] - [ 0.0000931700000000, -0.0001427800000000, 0.0001200800000000 ] - [ -0.0039454700000000, -0.0050550700000000, -0.0033982000000000 ] - [ -0.0003452500000000, 0.0002614900000000, 0.0000003400000000 ] - [ 0.0000190900000000, -0.0004896800000000, -0.0003315200000000 ] - [ -0.0022372700000000, 0.0000683900000000, -0.0009738100000000 ] - [ 0.0011495800000000, 0.0008722700000000, 0.0015315600000000 ] - [ 0.0000244200000000, -0.0006099900000000, 0.0002606900000000 ] - [ -0.0008562200000000, -0.0003937400000000, 0.0013074300000000 ] - [ -0.0002751900000000, -0.0008956900000000, 0.0001508900000000 ] - [ 0.0000587400000000, -0.0001529400000000, 0.0002785100000000 ] - [ 0.0444257800000000, -0.0015482400000000, 0.0069817500000000 ] - [ -0.0033326100000000, 0.0002150700000000, 0.0002183100000000 ] - [ -0.0001791500000000, -0.0005151900000000, 0.0000954000000000 ] - [ -0.0002197500000000, -0.0005279900000000, 0.0003903400000000 ] - [ -0.0002503900000000, -0.0011950400000000, 0.0005278200000000 ] - [ -0.0003027800000000, 0.0001031500000000, -0.0006120100000000 ] - [ -0.0009301200000000, -0.0007063300000000, -0.0017025300000000 ] - [ -0.0032270200000000, 0.0008026800000000, -0.0003737700000000 ] - [ -0.0000438300000000, -0.0004299900000000, -0.0001783700000000 ] - [ -0.0011100100000000, 0.0023859600000000, -0.0015410800000000 ] - [ -0.0001627100000000, 0.0000368100000000, 0.0001637500000000 ] - [ -0.0008038900000000, -0.0006669900000000, 0.0012429900000000 ] - [ -0.0001037900000000, -0.0001193300000000, 0.0001704800000000 ] - [ -0.0005967900000000, 0.0003845000000000, 0.0000495800000000 ] - [ 0.0671521600000000, 0.0230174100000000, 0.0605572100000000 ] - [ -0.0010034900000000, -0.0012942500000000, -0.0019363300000000 ] - [ 0.0004522400000000, -0.0008819700000000, -0.0002279900000000 ] - [ -0.0002807800000000, 0.0001289500000000, -0.0000150700000000 ] - [ -0.0003207400000000, -0.0002973000000000, -0.0003888900000000 ]- atom: 21 displacement: [ -0.0099999786541794, 0.0000000000000000, 0.0000206619446251 ] forces: - [ 0.0002465200000000, -0.0007173700000000, 0.0001236600000000 ] - [ 0.0045806400000000, -0.0002594700000000, -0.0000790200000000 ] - [ 0.0011649600000000, -0.0011219600000000, 0.0003627300000000 ] - [ 0.0021188800000000, 0.0004637400000000, 0.0016443600000000 ] - [ -0.0026542400000000, 0.0011576300000000, -0.0029382300000000 ] - [ -0.0003593100000000, -0.0000975300000000, -0.0000979900000000 ] - [ -0.0024682500000000, -0.0005110400000000, -0.0004689200000000 ] - [ -0.0005081400000000, -0.0004892900000000, -0.0002212200000000 ] - [ 0.0001794500000000, -0.0003469800000000, -0.0006168600000000 ] - [ -0.0002555600000000, 0.0012049600000000, -0.0009592800000000 ] - [ -0.0049036900000000, -0.0103801100000000, -0.0167333000000000 ] - [ -0.0001882400000000, 0.0000332500000000, 0.0001223200000000 ] - [ 0.0004659300000000, -0.0004014200000000, -0.0001908400000000 ] - [ -0.0039025400000000, -0.0024211900000000, 0.0023733200000000 ] - [ 0.0001117400000000, 0.0002255800000000, 0.0001179600000000 ] - [ 0.0014663500000000, 0.0032679900000000, -0.0052080000000000 ] - [ -0.0000941700000000, 0.0000827400000000, -0.0000947000000000 ] - [ -0.0119934300000000, -0.0078108100000000, -0.0160790300000000 ] - [ -0.0012697200000000, -0.0004669400000000, -0.0003294100000000 ] - [ -0.0008752200000000, -0.0005141200000000, -0.0010019800000000 ] - [ 0.1787436700000000, 0.0727617000000000, 0.0978162800000000 ] - [ -0.0001568600000000, -0.0003312600000000, -0.0000481700000000 ] - [ 0.0006535900000000, 0.0024519600000000, -0.0008024100000000 ] - [ -0.0004282000000000, -0.0006580400000000, 0.0000398600000000 ] - [ -0.0016138100000000, -0.0015553400000000, -0.0025245000000000 ] - [ -0.0002976400000000, 0.0009040800000000, -0.0001762800000000 ] - [ 0.0001667500000000, 0.0000735800000000, -0.0003055300000000 ] - [ 0.0000441800000000, -0.0013515700000000, -0.0030090300000000 ] - [ 0.0000498000000000, -0.0010751900000000, -0.0001558800000000 ] - [ -0.0008115800000000, 0.0019996400000000, 0.0004443700000000 ] - [ -0.0036779800000000, 0.0000485300000000, 0.0026347900000000 ] - [ 0.0000402400000000, -0.0010727300000000, 0.0000123900000000 ] - [ 0.0023556500000000, -0.0046200200000000, 0.0079693100000000 ] - [ 0.0005206800000000, -0.0004041800000000, 0.0002556700000000 ] - [ -0.0001290800000000, -0.0011922700000000, 0.0017575500000000 ] - [ -0.0000925500000000, -0.0008804300000000, 0.0003144300000000 ] - [ -0.0022325400000000, -0.0013876900000000, -0.0004410700000000 ] - [ 0.0000900300000000, -0.0008675900000000, 0.0000403900000000 ] - [ 0.0019182400000000, -0.0005693300000000, 0.0025566300000000 ] - [ 0.0008020300000000, -0.0003525700000000, -0.0000015300000000 ] - [ -0.0001997500000000, -0.0001115200000000, -0.0009109500000000 ] - [ -0.0001970900000000, 0.0000394500000000, -0.0003044500000000 ] - [ 0.0009999000000000, 0.0033076200000000, -0.0004746800000000 ] - [ -0.0000904500000000, -0.0001898300000000, 0.0000568500000000 ] - [ -0.0002478100000000, -0.0016643600000000, 0.0003854700000000 ] - [ 0.0007431300000000, -0.0004286500000000, 0.0006755700000000 ] - [ -0.0000572700000000, -0.0004362900000000, -0.0000609100000000 ] - [ -0.0005159800000000, -0.0017021700000000, 0.0003780600000000 ] - [ 0.0000265900000000, -0.0005440600000000, 0.0000190000000000 ] - [ -0.0029732000000000, 0.0013306600000000, -0.0030558900000000 ] - [ -0.0061978000000000, 0.0049335500000000, -0.0020257000000000 ] - [ -0.0002035800000000, -0.0001221600000000, 0.0004748800000000 ] - [ 0.0002815800000000, -0.0002226500000000, 0.0003268500000000 ] - [ 0.0001192100000000, -0.0005299300000000, 0.0002777200000000 ] - [ -0.0003643200000000, -0.0001253800000000, -0.0000457500000000 ] - [ -0.0046291600000000, 0.0010615800000000, -0.0015497200000000 ] - [ 0.0025803700000000, -0.0013568500000000, 0.0002162200000000 ] - [ -0.0003364300000000, -0.0001423400000000, 0.0001841000000000 ] - [ -0.0000942900000000, -0.0002592000000000, -0.0000193600000000 ] - [ 0.0002359000000000, 0.0008750200000000, -0.0019858300000000 ] - [ 0.0001534100000000, 0.0005583600000000, -0.0002864700000000 ] - [ -0.0055983600000000, 0.0030051700000000, 0.0020572100000000 ] - [ 0.0003391700000000, 0.0013022200000000, -0.0007861200000000 ] - [ -0.0002717700000000, 0.0007001900000000, -0.0003223700000000 ] - [ 0.0005852300000000, 0.0000541000000000, 0.0001080400000000 ] - [ 0.0001374000000000, -0.0017141200000000, -0.0004144100000000 ] - [ 0.0030311200000000, -0.0034707000000000, -0.0041108300000000 ] - [ -0.0000572500000000, 0.0005770700000000, 0.0002617500000000 ] - [ 0.0003396300000000, 0.0003027500000000, 0.0003479300000000 ] - [ 0.0006491300000000, -0.0000269200000000, 0.0005040100000000 ] - [ 0.0001883100000000, 0.0009922600000000, 0.0001422700000000 ] - [ 0.0009569400000000, -0.0003761400000000, -0.0006455700000000 ] - [ 0.0003786400000000, 0.0002201800000000, 0.0001576700000000 ] - [ 0.0012946300000000, -0.0010736100000000, -0.0000274100000000 ] - [ 0.0008241000000000, -0.0001011400000000, 0.0006290200000000 ] - [ 0.0007836200000000, 0.0009217300000000, 0.0001289100000000 ] - [ 0.0002497900000000, 0.0011139800000000, -0.0000543200000000 ] - [ 0.0003225600000000, -0.0007785200000000, -0.0013700900000000 ] - [ -0.0558950700000000, -0.0406076500000000, -0.0050100800000000 ] - [ -0.0002291700000000, 0.0004732300000000, 0.0000067400000000 ] - [ 0.0005384200000000, -0.0008146700000000, 0.0005487300000000 ] - [ -0.0000525200000000, -0.0000738800000000, 0.0001713600000000 ] - [ 0.0001337600000000, 0.0001184600000000, -0.0001702300000000 ] - [ 0.0018661800000000, -0.0010266100000000, 0.0010085100000000 ] - [ -0.0008588200000000, 0.0001024200000000, -0.0007596700000000 ] - [ -0.0003796300000000, 0.0002260300000000, -0.0002522600000000 ] - [ 0.0000291700000000, -0.0012141100000000, 0.0007656000000000 ] - [ -0.0001052700000000, 0.0005654400000000, 0.0001705800000000 ] - [ 0.0001692600000000, -0.0001619200000000, -0.0000097700000000 ] - [ -0.0003744900000000, 0.0003181500000000, 0.0008837100000000 ] - [ 0.0000681500000000, 0.0005391400000000, 0.0000987800000000 ] - [ 0.0008148400000000, 0.0048753500000000, 0.0058930300000000 ] - [ -0.0002779800000000, -0.0033577200000000, 0.0069006200000000 ] - [ -0.0001341200000000, -0.0002642400000000, -0.0002948300000000 ] - [ 0.0012448400000000, 0.0009538300000000, 0.0005599700000000 ] - [ 0.0001734600000000, 0.0005584400000000, 0.0005122600000000 ] - [ -0.0000284600000000, 0.0001379500000000, -0.0009321300000000 ] - [ -0.0002440200000000, -0.0002009200000000, -0.0003658500000000 ] - [ 0.0005011800000000, 0.0005798600000000, 0.0011820400000000 ] - [ 0.0000804400000000, 0.0002734300000000, 0.0000405400000000 ] - [ 0.0000178500000000, 0.0005071000000000, -0.0001335700000000 ] - [ 0.0030652900000000, 0.0034825900000000, -0.0017501700000000 ] - [ -0.0019753400000000, -0.0001105100000000, -0.0006551600000000 ] - [ -0.0003510900000000, 0.0004591500000000, 0.0001648700000000 ] - [ -0.0000251600000000, 0.0000304100000000, -0.0002242100000000 ] - [ -0.0002648300000000, -0.0000221000000000, -0.0001255700000000 ] - [ 0.0002502200000000, 0.0005235600000000, 0.0008654300000000 ] - [ 0.0002267300000000, -0.0010698100000000, 0.0003529500000000 ] - [ 0.0033281700000000, 0.0061739200000000, 0.0035384000000000 ] - [ -0.0003112200000000, 0.0007520600000000, 0.0000581800000000 ] - [ -0.0001464900000000, -0.0001548000000000, -0.0004976300000000 ] - [ 0.0020991400000000, -0.0006867700000000, 0.0001520200000000 ] - [ -0.0010309500000000, -0.0015103000000000, -0.0007154000000000 ] - [ 0.0001038300000000, -0.0000348700000000, 0.0005675500000000 ] - [ 0.0002019100000000, -0.0006405200000000, -0.0012286600000000 ] - [ -0.0003823400000000, -0.0001269300000000, -0.0000910400000000 ] - [ -0.0000060700000000, 0.0005071100000000, 0.0001277700000000 ] - [ -0.0445207000000000, 0.0026178700000000, -0.0073706500000000 ] - [ 0.0031302000000000, -0.0007736500000000, -0.0002297300000000 ] - [ -0.0000927000000000, -0.0000293900000000, -0.0000883200000000 ] - [ -0.0008954900000000, -0.0007157100000000, -0.0002046100000000 ] - [ -0.0008648100000000, -0.0000387800000000, -0.0003404800000000 ] - [ 0.0001755100000000, 0.0005374900000000, -0.0002207700000000 ] - [ 0.0007965900000000, 0.0013412600000000, 0.0008584600000000 ] - [ 0.0031403200000000, -0.0011422300000000, -0.0000334300000000 ] - [ -0.0000094600000000, 0.0000738000000000, -0.0002287600000000 ] - [ 0.0009710200000000, -0.0017357000000000, 0.0015179100000000 ] - [ 0.0000095000000000, 0.0006591900000000, -0.0002332400000000 ] - [ 0.0004637300000000, 0.0008352800000000, -0.0010614400000000 ] - [ -0.0002636100000000, 0.0002562300000000, 0.0000703700000000 ] - [ -0.0005174000000000, 0.0008468500000000, 0.0001375100000000 ] - [ -0.0674843400000000, -0.0217019200000000, -0.0605883800000000 ] - [ 0.0021260900000000, 0.0000682400000000, 0.0017268900000000 ] - [ 0.0006608000000000, -0.0003540400000000, 0.0000395100000000 ] - [ 0.0006521500000000, 0.0000004300000000, -0.0002311100000000 ] - [ 0.0006904300000000, 0.0004372000000000, 0.0001433200000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005556400000000, 0.0022763500000000, -0.0001194400000000 ] - [ -0.0021445700000000, -0.0023784200000000, 0.0025732200000000 ] - [ -0.0017924300000000, 0.0064025400000000, -0.0002474400000000 ] - [ 0.0012538600000000, 0.0119112800000000, -0.0015726700000000 ] - [ 0.0011608400000000, -0.0060877600000000, 0.0031259100000000 ] - [ 0.0001502800000000, 0.0031771000000000, -0.0001133700000000 ] - [ 0.0025991100000000, -0.0009969800000000, -0.0002303200000000 ] - [ -0.0004682800000000, 0.0020092900000000, 0.0000393100000000 ] - [ -0.0001139000000000, 0.0045998800000000, 0.0011281800000000 ] - [ -0.0004259500000000, 0.0027251900000000, -0.0025577700000000 ] - [ 0.0121620800000000, 0.0244712200000000, 0.0637452700000000 ] - [ 0.0002726700000000, 0.0044722700000000, 0.0004152400000000 ] - [ -0.0007647800000000, 0.0016317300000000, -0.0010803400000000 ] - [ 0.0092118200000000, -0.0003399100000000, -0.0028409600000000 ] - [ -0.0005251600000000, 0.0036544400000000, -0.0003656000000000 ] - [ -0.0039703200000000, -0.0311006200000000, -0.0347274200000000 ] - [ 0.0000050100000000, 0.0032195000000000, -0.0001323200000000 ] - [ 0.0101757700000000, 0.0094017200000000, 0.0192896700000000 ] - [ 0.0014526100000000, 0.0016256900000000, 0.0007323600000000 ] - [ -0.0002815900000000, 0.0007067100000000, 0.0003450800000000 ] - [ -0.0760465300000000, -0.4578733900000000, -0.0155283100000000 ] - [ 0.0003135900000000, 0.0032023000000000, 0.0000253300000000 ] - [ -0.0021782500000000, -0.0061973000000000, -0.0028422400000000 ] - [ 0.0004665800000000, 0.0018533600000000, 0.0014289100000000 ] - [ 0.0061224700000000, 0.0074738000000000, 0.0076109700000000 ] - [ -0.0004961300000000, 0.0039117800000000, 0.0001781900000000 ] - [ 0.0009573000000000, 0.0019584200000000, 0.0003508100000000 ] - [ 0.0005887800000000, 0.0013458700000000, 0.0023607700000000 ] - [ 0.0006368900000000, 0.0029794300000000, 0.0000691000000000 ] - [ -0.0019238000000000, -0.0002863700000000, 0.0005166600000000 ] - [ 0.0018107000000000, -0.0071836700000000, -0.0008623100000000 ] - [ -0.0003463800000000, 0.0019392400000000, -0.0004690000000000 ] - [ 0.0057010500000000, -0.0104214700000000, 0.0066664500000000 ] - [ -0.0001091800000000, 0.0017321200000000, -0.0006853600000000 ] - [ 0.0014297100000000, -0.0060622600000000, -0.0021648800000000 ] - [ -0.0005698300000000, 0.0029729800000000, -0.0001481400000000 ] - [ 0.0006067700000000, -0.0052572400000000, 0.0009036300000000 ] - [ 0.0001077100000000, 0.0021335300000000, 0.0004352700000000 ] - [ -0.0003685400000000, 0.0051206600000000, -0.0061885100000000 ] - [ 0.0010172500000000, 0.0026036000000000, 0.0016527800000000 ] - [ 0.0000593500000000, 0.0019582700000000, 0.0007800800000000 ] - [ -0.0000930100000000, 0.0019619300000000, 0.0001039900000000 ] - [ -0.0040334800000000, -0.0013884800000000, -0.0019573800000000 ] - [ 0.0009237900000000, 0.0032995000000000, 0.0000963500000000 ] - [ 0.0025806000000000, 0.0013405300000000, -0.0011623800000000 ] - [ -0.0014966900000000, 0.0013702500000000, 0.0007058500000000 ] - [ -0.0004138500000000, 0.0012275200000000, -0.0000465300000000 ] - [ 0.0014300700000000, 0.0015096900000000, -0.0023386000000000 ] - [ 0.0005659600000000, 0.0026442500000000, 0.0003628800000000 ] - [ -0.0013339000000000, -0.0076098400000000, 0.0005944100000000 ] - [ -0.0031392700000000, -0.0005881000000000, 0.0015310800000000 ] - [ -0.0008076500000000, 0.0022581400000000, -0.0008409300000000 ] - [ -0.0002465000000000, -0.0005029200000000, 0.0002830000000000 ] - [ -0.0005517700000000, 0.0022664600000000, -0.0007417900000000 ] - [ -0.0008755800000000, 0.0019164300000000, -0.0008675500000000 ] - [ 0.0034142300000000, -0.0038614200000000, 0.0006549300000000 ] - [ -0.0029708200000000, 0.0032600700000000, -0.0002256700000000 ] - [ 0.0002093900000000, -0.0017198200000000, 0.0006012700000000 ] - [ 0.0006144100000000, -0.0016845700000000, 0.0006083700000000 ] - [ -0.0024019900000000, -0.0021989200000000, 0.0025693400000000 ] - [ 0.0009237700000000, -0.0010812900000000, 0.0001445400000000 ] - [ -0.0081365200000000, 0.0090006200000000, 0.0079537500000000 ] - [ -0.0021361900000000, 0.0014133000000000, 0.0021504700000000 ] - [ 0.0003120900000000, -0.0016017900000000, -0.0007169000000000 ] - [ -0.0006627200000000, -0.0030004900000000, -0.0004975800000000 ] - [ 0.0009475400000000, -0.0010350700000000, -0.0003223900000000 ] - [ 0.0032559100000000, 0.0067428700000000, -0.0045464700000000 ] - [ 0.0006648800000000, -0.0011911800000000, 0.0012587100000000 ] - [ 0.0004233100000000, -0.0014787200000000, -0.0001463800000000 ] - [ 0.0006084900000000, -0.0013613500000000, 0.0012081100000000 ] - [ -0.0000070200000000, -0.0017074900000000, 0.0007307700000000 ] - [ 0.0019652900000000, 0.0033799100000000, -0.0000392000000000 ] - [ -0.0002481500000000, -0.0023344500000000, -0.0005700200000000 ] - [ 0.0026694100000000, 0.0027154000000000, 0.0003852800000000 ] - [ 0.0012275700000000, 0.0004247400000000, -0.0000843500000000 ] - [ 0.0005979200000000, -0.0008232100000000, 0.0002270800000000 ] - [ 0.0007981900000000, -0.0029035800000000, 0.0004439900000000 ] - [ 0.0034217600000000, 0.0027074700000000, 0.0086421600000000 ] - [ 0.0444910800000000, 0.2208891600000000, 0.0181310700000000 ] - [ -0.0007234300000000, -0.0023729200000000, -0.0007256100000000 ] - [ -0.0004325900000000, 0.0030956400000000, 0.0013368200000000 ] - [ -0.0001194200000000, -0.0019541000000000, -0.0011462400000000 ] - [ 0.0006075400000000, -0.0013862900000000, 0.0002902100000000 ] - [ -0.0064926800000000, 0.0018509500000000, -0.0026328800000000 ] - [ -0.0000511200000000, 0.0015056400000000, -0.0002929300000000 ] - [ 0.0001712200000000, -0.0022133400000000, 0.0006494200000000 ] - [ 0.0003745500000000, 0.0029041600000000, 0.0017415400000000 ] - [ -0.0002650100000000, -0.0013796600000000, -0.0007793900000000 ] - [ 0.0000817600000000, -0.0015316700000000, -0.0004716600000000 ] - [ 0.0002201300000000, -0.0002855900000000, -0.0003241400000000 ] - [ 0.0000289800000000, -0.0011409800000000, -0.0006781400000000 ] - [ 0.0002683400000000, 0.0003848700000000, -0.0014654500000000 ] - [ 0.0003031500000000, 0.0266242000000000, -0.0196952300000000 ] - [ -0.0003693800000000, -0.0032778700000000, 0.0003334300000000 ] - [ -0.0043339000000000, -0.0016086300000000, -0.0008133500000000 ] - [ -0.0002306300000000, -0.0007468400000000, -0.0001088200000000 ] - [ -0.0011223500000000, -0.0026878600000000, 0.0014393400000000 ] - [ 0.0006527600000000, -0.0026085500000000, -0.0014437900000000 ] - [ -0.0010065100000000, -0.0006161700000000, -0.0032573200000000 ] - [ 0.0001136300000000, -0.0014561400000000, -0.0001236200000000 ] - [ 0.0004437500000000, -0.0015882500000000, 0.0007689000000000 ] - [ -0.0065990400000000, -0.0026483800000000, -0.0012756500000000 ] - [ 0.0027526700000000, -0.0019576200000000, 0.0026552400000000 ] - [ -0.0010336600000000, -0.0020324800000000, -0.0007526600000000 ] - [ -0.0003517300000000, -0.0007726300000000, 0.0010000200000000 ] - [ 0.0002938700000000, -0.0012311400000000, -0.0001109000000000 ] - [ -0.0004246700000000, -0.0051007000000000, -0.0019415400000000 ] - [ 0.0011916200000000, -0.0029724900000000, 0.0015685400000000 ] - [ -0.0035660800000000, -0.0168436400000000, -0.0133262900000000 ] - [ -0.0003595200000000, -0.0029976800000000, -0.0004072200000000 ] - [ 0.0006809700000000, -0.0017821300000000, 0.0003914100000000 ] - [ -0.0031817100000000, 0.0027696100000000, -0.0013679500000000 ] - [ 0.0021065400000000, 0.0014289400000000, 0.0041132200000000 ] - [ -0.0006708800000000, -0.0020732800000000, -0.0008938300000000 ] - [ -0.0015361600000000, 0.0052348200000000, 0.0000101400000000 ] - [ 0.0000665600000000, -0.0033608900000000, 0.0006845800000000 ] - [ 0.0000598000000000, -0.0018850400000000, 0.0005298200000000 ] - [ -0.0037623500000000, 0.1447421500000000, -0.0799313600000000 ] - [ 0.0011927900000000, 0.0014814800000000, -0.0018660600000000 ] - [ -0.0002041400000000, -0.0017268300000000, 0.0006431600000000 ] - [ 0.0003109000000000, -0.0011332900000000, -0.0001737500000000 ] - [ -0.0005390700000000, -0.0020982200000000, 0.0012537800000000 ] - [ -0.0008914400000000, -0.0010638500000000, -0.0012431600000000 ] - [ -0.0004264600000000, -0.0004125300000000, -0.0011324300000000 ] - [ -0.0018668600000000, 0.0047362800000000, -0.0003279300000000 ] - [ 0.0000004700000000, -0.0018820200000000, 0.0000521200000000 ] - [ 0.0012419100000000, 0.0016077800000000, -0.0007899000000000 ] - [ -0.0002660100000000, -0.0012712900000000, 0.0010526200000000 ] - [ -0.0021348400000000, 0.0032805500000000, -0.0023440900000000 ] - [ 0.0002136900000000, -0.0011521000000000, 0.0004439200000000 ] - [ -0.0010700700000000, -0.0011180300000000, -0.0005051700000000 ] - [ 0.0221793000000000, 0.0623406500000000, 0.0460634600000000 ] - [ 0.0009878000000000, 0.0024528100000000, 0.0005418700000000 ] - [ 0.0000659400000000, -0.0022397800000000, -0.0007667300000000 ] - [ -0.0007791200000000, -0.0005260000000000, -0.0000836000000000 ] - [ -0.0005826000000000, -0.0008440400000000, -0.0001448700000000 ]- atom: 21 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000799900000000, -0.0029239400000000, 0.0002229600000000 ] - [ 0.0025732200000000, 0.0017483300000000, -0.0024222500000000 ] - [ 0.0022649900000000, -0.0057279200000000, 0.0003595700000000 ] - [ -0.0007963500000000, -0.0113343700000000, 0.0017028100000000 ] - [ -0.0016077400000000, 0.0067089900000000, -0.0031934000000000 ] - [ -0.0006236600000000, -0.0025173700000000, 0.0000094600000000 ] - [ -0.0030664900000000, 0.0003320800000000, 0.0001277400000000 ] - [ -0.0000064200000000, -0.0026551200000000, -0.0001419900000000 ] - [ 0.0004656200000000, -0.0037087300000000, -0.0013618300000000 ] - [ 0.0007785900000000, -0.0018239900000000, 0.0023288400000000 ] - [ -0.0122877600000000, -0.0230646400000000, -0.0631685300000000 ] - [ -0.0006244300000000, -0.0035826400000000, -0.0001792500000000 ] - [ 0.0013289600000000, -0.0021333400000000, 0.0005537200000000 ] - [ -0.0086828600000000, -0.0001512800000000, 0.0023212500000000 ] - [ 0.0004657300000000, -0.0022955900000000, 0.0004581100000000 ] - [ 0.0038529700000000, 0.0322250400000000, 0.0348275300000000 ] - [ -0.0002036600000000, -0.0023245100000000, -0.0000817200000000 ] - [ -0.0104480500000000, -0.0082318600000000, -0.0196364500000000 ] - [ -0.0022508200000000, -0.0018393700000000, -0.0009525500000000 ] - [ -0.0005193800000000, -0.0009117800000000, -0.0005548700000000 ] - [ 0.0701034400000000, 0.4454193900000000, 0.0049979800000000 ] - [ -0.0005664200000000, -0.0029785000000000, -0.0002132900000000 ] - [ 0.0015979500000000, 0.0056350400000000, 0.0033555600000000 ] - [ -0.0010336700000000, -0.0023550900000000, -0.0009016300000000 ] - [ -0.0060535600000000, -0.0060927600000000, -0.0076723100000000 ] - [ 0.0005611300000000, -0.0025543800000000, -0.0002671500000000 ] - [ -0.0003873100000000, -0.0014490400000000, -0.0008783300000000 ] - [ -0.0000158400000000, -0.0008212100000000, -0.0028519100000000 ] - [ -0.0002835400000000, -0.0038558100000000, -0.0003046000000000 ] - [ 0.0022788500000000, -0.0005786200000000, -0.0007600100000000 ] - [ -0.0017584200000000, 0.0058210500000000, 0.0007706800000000 ] - [ 0.0004030800000000, -0.0032863300000000, 0.0003755300000000 ] - [ -0.0048956900000000, 0.0101964300000000, -0.0064462300000000 ] - [ 0.0009117400000000, -0.0019446000000000, 0.0009054000000000 ] - [ -0.0017752200000000, 0.0051324200000000, 0.0023947200000000 ] - [ 0.0002167700000000, -0.0038480600000000, 0.0003822600000000 ] - [ -0.0004041400000000, 0.0043536400000000, -0.0006845600000000 ] - [ 0.0000914500000000, -0.0030154600000000, -0.0002225500000000 ] - [ 0.0011812400000000, -0.0048744700000000, 0.0063696200000000 ] - [ -0.0002160800000000, -0.0023860500000000, -0.0014357900000000 ] - [ 0.0001944600000000, -0.0017381400000000, -0.0005909600000000 ] - [ 0.0003457500000000, -0.0017344200000000, 0.0000818100000000 ] - [ 0.0041971300000000, 0.0022551400000000, 0.0021555200000000 ] - [ -0.0007296300000000, -0.0024057200000000, 0.0001137600000000 ] - [ -0.0026224100000000, -0.0026896200000000, 0.0012482600000000 ] - [ 0.0014460500000000, -0.0027154700000000, -0.0006189200000000 ] - [ 0.0002125500000000, -0.0021141100000000, -0.0001646900000000 ] - [ -0.0016364000000000, -0.0023858000000000, 0.0021393300000000 ] - [ -0.0003114900000000, -0.0028552900000000, -0.0001744500000000 ] - [ 0.0015765000000000, 0.0073925200000000, -0.0004104900000000 ] - [ 0.0025644800000000, 0.0010803700000000, -0.0009918100000000 ] - [ 0.0002377800000000, -0.0017473000000000, 0.0013654500000000 ] - [ -0.0000058700000000, 0.0002791400000000, -0.0004713900000000 ] - [ 0.0002968600000000, -0.0024745200000000, 0.0005551600000000 ] - [ 0.0000700800000000, -0.0016962100000000, 0.0006453900000000 ] - [ -0.0041657200000000, 0.0040795900000000, -0.0009108200000000 ] - [ 0.0023330400000000, -0.0039255600000000, 0.0006804600000000 ] - [ -0.0008214200000000, 0.0010351100000000, -0.0001460500000000 ] - [ -0.0004692700000000, 0.0009881200000000, -0.0005389600000000 ] - [ 0.0025548100000000, 0.0015021000000000, -0.0025020300000000 ] - [ -0.0003109200000000, 0.0017607700000000, -0.0005981600000000 ] - [ 0.0087588700000000, -0.0082873300000000, -0.0084166300000000 ] - [ 0.0018105500000000, -0.0002070700000000, -0.0026066600000000 ] - [ -0.0006248600000000, 0.0027912100000000, 0.0002476900000000 ] - [ 0.0013144700000000, 0.0019741100000000, 0.0004354600000000 ] - [ -0.0002964100000000, 0.0000024800000000, 0.0002598600000000 ] - [ -0.0031084500000000, -0.0060493100000000, 0.0053588200000000 ] - [ -0.0005457400000000, 0.0018302600000000, -0.0004228500000000 ] - [ 0.0000894500000000, 0.0017821700000000, 0.0002095100000000 ] - [ -0.0000970900000000, 0.0016552000000000, -0.0011471300000000 ] - [ 0.0003185000000000, 0.0028987200000000, -0.0002601200000000 ] - [ -0.0016413600000000, -0.0021902300000000, 0.0005145300000000 ] - [ 0.0007597000000000, 0.0020252200000000, 0.0006316700000000 ] - [ -0.0021571700000000, -0.0030262600000000, -0.0003197800000000 ] - [ -0.0001005600000000, 0.0008083000000000, -0.0001000900000000 ] - [ 0.0005263100000000, 0.0020480800000000, -0.0004104500000000 ] - [ -0.0001424500000000, 0.0039205900000000, -0.0005061700000000 ] - [ -0.0027374200000000, -0.0016619900000000, -0.0086465700000000 ] - [ -0.0401416000000000, -0.2050774100000000, -0.0148357600000000 ] - [ 0.0002097100000000, 0.0026739300000000, 0.0006612600000000 ] - [ 0.0002854600000000, -0.0037701800000000, -0.0014067900000000 ] - [ -0.0000220800000000, 0.0012565400000000, 0.0010751400000000 ] - [ -0.0002354400000000, 0.0012402000000000, -0.0005210300000000 ] - [ 0.0067378300000000, -0.0020195400000000, 0.0023782500000000 ] - [ -0.0004609000000000, -0.0017979100000000, 0.0002261700000000 ] - [ -0.0006830000000000, 0.0019013000000000, -0.0007110300000000 ] - [ -0.0006384600000000, -0.0023315900000000, -0.0017243600000000 ] - [ 0.0000023300000000, 0.0019288800000000, 0.0007876200000000 ] - [ 0.0001826900000000, 0.0009803000000000, 0.0004633100000000 ] - [ 0.0000524100000000, -0.0002767700000000, 0.0002954900000000 ] - [ 0.0001133300000000, 0.0018335500000000, 0.0007481400000000 ] - [ -0.0001304500000000, 0.0002237900000000, 0.0014827600000000 ] - [ -0.0006494200000000, -0.0278146400000000, 0.0189734000000000 ] - [ 0.0000566400000000, 0.0020769500000000, -0.0008027400000000 ] - [ 0.0037060300000000, 0.0022847400000000, 0.0012637800000000 ] - [ -0.0003885500000000, 0.0014225900000000, 0.0005601700000000 ] - [ 0.0017273600000000, 0.0019995100000000, -0.0018867200000000 ] - [ -0.0000425300000000, 0.0019298100000000, 0.0009953600000000 ] - [ 0.0009555200000000, 0.0009712200000000, 0.0028443800000000 ] - [ -0.0001636300000000, 0.0018088300000000, -0.0002856000000000 ] - [ -0.0001774400000000, 0.0021334000000000, -0.0007755800000000 ] - [ 0.0068812400000000, 0.0031416500000000, 0.0013063500000000 ] - [ -0.0031068200000000, 0.0017997200000000, -0.0024004200000000 ] - [ 0.0006667800000000, 0.0018891200000000, 0.0009865400000000 ] - [ 0.0003978000000000, 0.0004164100000000, -0.0005879400000000 ] - [ -0.0002442000000000, 0.0008640200000000, 0.0005197600000000 ] - [ 0.0007361800000000, 0.0039015000000000, 0.0024051100000000 ] - [ -0.0008818100000000, 0.0017702400000000, -0.0011086400000000 ] - [ 0.0028978000000000, 0.0178772800000000, 0.0134316200000000 ] - [ -0.0002998900000000, 0.0040162900000000, 0.0004659500000000 ] - [ -0.0007975200000000, 0.0011368400000000, -0.0012230500000000 ] - [ 0.0030687800000000, -0.0034306800000000, 0.0005490800000000 ] - [ -0.0019706500000000, -0.0020545900000000, -0.0032568400000000 ] - [ 0.0007905600000000, 0.0014278600000000, 0.0017275300000000 ] - [ 0.0008895900000000, -0.0062233800000000, 0.0000439400000000 ] - [ -0.0007218100000000, 0.0023323900000000, -0.0006214900000000 ] - [ -0.0000107300000000, 0.0022385700000000, -0.0001218500000000 ] - [ 0.0044216600000000, -0.1484466300000000, 0.0868293700000000 ] - [ -0.0014574800000000, -0.0020246400000000, 0.0018664200000000 ] - [ -0.0000598500000000, 0.0011709300000000, -0.0006321200000000 ] - [ -0.0014304700000000, -0.0000951400000000, 0.0003581100000000 ] - [ -0.0005783700000000, 0.0008617500000000, -0.0010675100000000 ] - [ 0.0007730200000000, 0.0017049400000000, 0.0004083300000000 ] - [ 0.0002971000000000, 0.0010397100000000, 0.0002833400000000 ] - [ 0.0018201700000000, -0.0050823000000000, -0.0000764700000000 ] - [ -0.0000494600000000, 0.0015215200000000, -0.0004586000000000 ] - [ -0.0013756900000000, -0.0009011100000000, 0.0007128200000000 ] - [ 0.0001253300000000, 0.0019623900000000, -0.0011208600000000 ] - [ 0.0017662400000000, -0.0031317300000000, 0.0025618100000000 ] - [ -0.0005820700000000, 0.0012927200000000, -0.0002110500000000 ] - [ -0.0000528300000000, 0.0023449600000000, 0.0006916900000000 ] - [ -0.0230681100000000, -0.0603890000000000, -0.0454953300000000 ] - [ 0.0001332300000000, -0.0036771800000000, -0.0007281900000000 ] - [ 0.0010550100000000, 0.0010067300000000, 0.0005786700000000 ] - [ 0.0011476400000000, 0.0006696600000000, -0.0001488800000000 ] - [ 0.0009529100000000, 0.0009812100000000, -0.0000928400000000 ]- atom: 21 displacement: [ -0.0045139598196510, 0.0000000000000000, 0.0089232374588249 ] forces: - [ 0.0002317500000000, -0.0003438800000000, 0.0001083700000000 ] - [ -0.0078261600000000, 0.0018947900000000, 0.0113157100000000 ] - [ -0.0000745300000000, 0.0009102500000000, -0.0005221600000000 ] - [ -0.0031781600000000, -0.0072358300000000, -0.0046504000000000 ] - [ 0.0043392900000000, -0.0000562500000000, 0.0059710100000000 ] - [ -0.0000980500000000, 0.0002588100000000, 0.0000766300000000 ] - [ -0.0006611000000000, -0.0003581500000000, -0.0010374200000000 ] - [ -0.0001421500000000, -0.0000918500000000, -0.0001479300000000 ] - [ 0.0002045900000000, 0.0006609300000000, 0.0002092400000000 ] - [ 0.0021489900000000, -0.0051317400000000, 0.0046153200000000 ] - [ 0.0046870700000000, 0.0249771600000000, 0.0036816300000000 ] - [ -0.0003407900000000, -0.0003233800000000, -0.0001148700000000 ] - [ 0.0002749100000000, -0.0001978400000000, -0.0004204400000000 ] - [ 0.0017345500000000, -0.0005615100000000, -0.0072116600000000 ] - [ -0.0001689600000000, 0.0006004600000000, 0.0000295100000000 ] - [ 0.0017991600000000, -0.0023757500000000, 0.0503111600000000 ] - [ -0.0000799500000000, 0.0004152400000000, -0.0001611700000000 ] - [ 0.0251086600000000, 0.0300926400000000, 0.0166686500000000 ] - [ -0.0001705500000000, 0.0001404600000000, 0.0003201600000000 ] - [ 0.0004734800000000, 0.0010199100000000, 0.0014498100000000 ] - [ -0.0055002200000000, 0.0286660100000000, -0.4297691100000000 ] - [ -0.0001830100000000, 0.0000154100000000, -0.0002229700000000 ] - [ 0.0015835600000000, -0.0042730600000000, 0.0044055900000000 ] - [ 0.0000036800000000, 0.0000330100000000, 0.0003394100000000 ] - [ 0.0012331300000000, 0.0020439700000000, 0.0012329700000000 ] - [ 0.0017893300000000, -0.0020590800000000, -0.0000517300000000 ] - [ 0.0002811600000000, 0.0001739200000000, -0.0001191200000000 ] - [ 0.0005667700000000, 0.0046362800000000, 0.0068891300000000 ] - [ 0.0001515400000000, -0.0005523300000000, -0.0002034600000000 ] - [ 0.0000414400000000, 0.0017062900000000, -0.0043557600000000 ] - [ -0.0022757700000000, -0.0008197600000000, -0.0015729600000000 ] - [ -0.0000396200000000, -0.0006345900000000, -0.0000781500000000 ] - [ -0.0090305600000000, 0.0002233000000000, 0.0073210300000000 ] - [ 0.0003021200000000, -0.0000336500000000, 0.0001185600000000 ] - [ -0.0009190900000000, -0.0050832600000000, 0.0023453900000000 ] - [ -0.0002366200000000, -0.0002143100000000, 0.0001856300000000 ] - [ -0.0026473300000000, -0.0003965800000000, 0.0033556100000000 ] - [ 0.0001123900000000, -0.0003344000000000, 0.0001263100000000 ] - [ 0.0000203600000000, -0.0015738600000000, -0.0031345700000000 ] - [ 0.0005701400000000, 0.0007236200000000, -0.0002375700000000 ] - [ 0.0003364800000000, -0.0000012000000000, 0.0008881500000000 ] - [ 0.0008726400000000, -0.0005323800000000, 0.0011629300000000 ] - [ 0.0017173000000000, -0.0009590400000000, -0.0031034600000000 ] - [ 0.0001308200000000, 0.0006553900000000, 0.0001852500000000 ] - [ 0.0000623000000000, -0.0015321900000000, -0.0000901800000000 ] - [ -0.0000818200000000, 0.0000551000000000, -0.0001191400000000 ] - [ -0.0001755000000000, -0.0001634400000000, -0.0000296400000000 ] - [ -0.0011773200000000, 0.0006201400000000, 0.0012847400000000 ] - [ 0.0001504600000000, -0.0000676100000000, 0.0000749000000000 ] - [ 0.0015369200000000, 0.0009934600000000, -0.0021265300000000 ] - [ -0.0069867800000000, 0.0054327900000000, -0.0043203900000000 ] - [ -0.0003940700000000, 0.0003717500000000, 0.0002102600000000 ] - [ -0.0003151900000000, -0.0004888100000000, 0.0008771600000000 ] - [ -0.0003481200000000, 0.0002753900000000, 0.0005870200000000 ] - [ -0.0004088400000000, 0.0001407500000000, -0.0001072000000000 ] - [ 0.0065542400000000, 0.0002598000000000, -0.0050638500000000 ] - [ -0.0028702400000000, 0.0010595100000000, 0.0000791100000000 ] - [ -0.0002636700000000, -0.0003650300000000, 0.0002100400000000 ] - [ 0.0000872900000000, -0.0004479500000000, 0.0001261800000000 ] - [ 0.0015343200000000, -0.0009182600000000, 0.0032229000000000 ] - [ 0.0004310400000000, 0.0003169600000000, -0.0002497400000000 ] - [ 0.0077676800000000, 0.0000621000000000, -0.0087199500000000 ] - [ -0.0001478000000000, 0.0020145200000000, 0.0002855100000000 ] - [ -0.0000944200000000, 0.0002936300000000, -0.0002561000000000 ] - [ 0.0004230500000000, -0.0002376300000000, 0.0001848200000000 ] - [ 0.0002159800000000, -0.0013473700000000, 0.0004930800000000 ] - [ 0.0074976300000000, -0.0046964300000000, -0.0001311900000000 ] - [ 0.0001422600000000, 0.0002665400000000, 0.0004505800000000 ] - [ 0.0002374600000000, 0.0001448400000000, -0.0002210500000000 ] - [ -0.0009765500000000, 0.0018405900000000, -0.0027668200000000 ] - [ 0.0001722700000000, 0.0006151200000000, 0.0002454000000000 ] - [ 0.0026659100000000, -0.0011721100000000, 0.0017057300000000 ] - [ 0.0002583300000000, -0.0001526300000000, 0.0000951900000000 ] - [ -0.0011910900000000, -0.0001078800000000, 0.0018861600000000 ] - [ 0.0000622300000000, 0.0011071800000000, 0.0000590400000000 ] - [ 0.0002159800000000, 0.0006375100000000, -0.0008139600000000 ] - [ 0.0003466000000000, 0.0004046900000000, -0.0000827000000000 ] - [ -0.0032362400000000, 0.0049369600000000, -0.0088583400000000 ] - [ -0.0205621300000000, -0.0050153500000000, 0.0476614800000000 ] - [ -0.0001702900000000, 0.0003665200000000, 0.0002187100000000 ] - [ -0.0001720300000000, -0.0002542500000000, -0.0030887700000000 ] - [ -0.0001469900000000, -0.0004484500000000, -0.0001249000000000 ] - [ 0.0001756300000000, -0.0000871800000000, -0.0001160600000000 ] - [ -0.0157134400000000, -0.0021045800000000, -0.0038044800000000 ] - [ -0.0001467000000000, 0.0007570100000000, -0.0017791200000000 ] - [ -0.0001829800000000, -0.0004109100000000, -0.0001179600000000 ] - [ -0.0020068100000000, 0.0025423400000000, -0.0001545600000000 ] - [ -0.0002392200000000, 0.0002383800000000, -0.0000173400000000 ] - [ 0.0001891400000000, -0.0003803900000000, -0.0001408800000000 ] - [ 0.0019946100000000, -0.0014710900000000, -0.0033253200000000 ] - [ 0.0000487500000000, 0.0003684300000000, 0.0000005400000000 ] - [ -0.0003970200000000, -0.0073690300000000, -0.0112529500000000 ] - [ -0.0036247400000000, -0.0098431600000000, -0.0039809800000000 ] - [ -0.0001083300000000, -0.0003032700000000, -0.0003207300000000 ] - [ -0.0008781900000000, 0.0000307200000000, -0.0000049000000000 ] - [ -0.0017840300000000, 0.0001892700000000, 0.0000172400000000 ] - [ 0.0005634900000000, -0.0001240700000000, 0.0006661200000000 ] - [ 0.0000617800000000, -0.0008158400000000, 0.0005705900000000 ] - [ -0.0004959100000000, -0.0001514000000000, -0.0011611900000000 ] - [ -0.0004585500000000, 0.0008521700000000, -0.0009839900000000 ] - [ 0.0001266000000000, 0.0002877200000000, 0.0001022600000000 ] - [ -0.0071211200000000, -0.0101118200000000, 0.0100905800000000 ] - [ -0.0003435100000000, 0.0001514200000000, 0.0014896700000000 ] - [ 0.0000495700000000, -0.0002639400000000, 0.0007622000000000 ] - [ 0.0000558800000000, -0.0000025700000000, -0.0001017600000000 ] - [ 0.0003433000000000, -0.0008746200000000, -0.0001439700000000 ] - [ 0.0000532300000000, -0.0011284900000000, -0.0000805000000000 ] - [ -0.0011457800000000, 0.0032473600000000, -0.0010303000000000 ] - [ 0.0009477800000000, -0.0022347700000000, 0.0010981300000000 ] - [ -0.0005206900000000, 0.0017036400000000, 0.0002600400000000 ] - [ -0.0000344900000000, -0.0003503200000000, -0.0003844800000000 ] - [ -0.0012281200000000, -0.0008358500000000, 0.0024646700000000 ] - [ 0.0000572900000000, 0.0022458700000000, 0.0009551200000000 ] - [ -0.0000762000000000, -0.0005584600000000, 0.0004269400000000 ] - [ 0.0023668600000000, 0.0020033300000000, -0.0017013600000000 ] - [ -0.0002936200000000, -0.0006529100000000, 0.0000451200000000 ] - [ 0.0000534200000000, 0.0001841900000000, 0.0002580100000000 ] - [ -0.0107752900000000, -0.0714058800000000, 0.1320893300000000 ] - [ 0.0035777300000000, -0.0009396000000000, -0.0009848600000000 ] - [ -0.0001143000000000, -0.0003756900000000, 0.0000323600000000 ] - [ -0.0004545800000000, -0.0007713100000000, -0.0004958000000000 ] - [ 0.0001635500000000, -0.0009412400000000, -0.0003232600000000 ] - [ -0.0001650600000000, 0.0002867700000000, -0.0007083500000000 ] - [ -0.0017966800000000, -0.0019282500000000, -0.0029779600000000 ] - [ 0.0005577700000000, -0.0003234700000000, 0.0020768900000000 ] - [ -0.0000267400000000, -0.0002220700000000, -0.0001717300000000 ] - [ 0.0006229300000000, -0.0012392600000000, 0.0029723700000000 ] - [ -0.0000605100000000, 0.0002729500000000, -0.0000130400000000 ] - [ 0.0048701800000000, 0.0003834200000000, -0.0042615600000000 ] - [ -0.0001380900000000, 0.0000267900000000, 0.0000937400000000 ] - [ -0.0005427000000000, 0.0006466700000000, 0.0001964800000000 ] - [ 0.0249962200000000, 0.0328650100000000, 0.1959445100000000 ] - [ 0.0004162700000000, -0.0004124700000000, -0.0000959300000000 ] - [ 0.0005251300000000, -0.0006555800000000, -0.0001015800000000 ] - [ 0.0001411100000000, -0.0001178200000000, -0.0001790300000000 ] - [ 0.0001296100000000, -0.0003807700000000, -0.0006828700000000 ]- atom: 21 displacement: [ 0.0045139598196510, 0.0000000000000000, -0.0089232374588249 ] forces: - [ 0.0002426000000000, -0.0003093500000000, -0.0000040500000000 ] - [ 0.0083500800000000, -0.0026053300000000, -0.0112635600000000 ] - [ 0.0005642100000000, -0.0002794200000000, 0.0006318900000000 ] - [ 0.0036824900000000, 0.0079094200000000, 0.0047731400000000 ] - [ -0.0048324800000000, 0.0007048500000000, -0.0060968600000000 ] - [ -0.0003775100000000, 0.0003930400000000, -0.0001818400000000 ] - [ 0.0001618200000000, -0.0002852100000000, 0.0009347300000000 ] - [ -0.0003329100000000, -0.0005643700000000, 0.0000439500000000 ] - [ 0.0001479900000000, 0.0002135800000000, -0.0004537200000000 ] - [ -0.0018054700000000, 0.0060462600000000, -0.0048775000000000 ] - [ -0.0049039100000000, -0.0240379100000000, -0.0037979500000000 ] - [ -0.0000109300000000, 0.0012099600000000, 0.0003505000000000 ] - [ 0.0002957200000000, -0.0003084300000000, -0.0001067700000000 ] - [ -0.0011842300000000, 0.0000601500000000, 0.0067029300000000 ] - [ 0.0001135300000000, 0.0007497300000000, 0.0000628100000000 ] - [ -0.0015653700000000, 0.0035048200000000, -0.0498533100000000 ] - [ -0.0001195400000000, 0.0004712400000000, -0.0000496800000000 ] - [ -0.0255029600000000, -0.0291995800000000, -0.0171326300000000 ] - [ -0.0006469500000000, -0.0003590300000000, -0.0005413600000000 ] - [ -0.0012859000000000, -0.0012435200000000, -0.0016780400000000 ] - [ 0.0084349100000000, -0.0189370900000000, 0.4338858500000000 ] - [ -0.0000703300000000, 0.0002001600000000, 0.0000369000000000 ] - [ -0.0021640500000000, 0.0037849900000000, -0.0038671100000000 ] - [ -0.0005730500000000, -0.0005419500000000, 0.0001857600000000 ] - [ -0.0012181100000000, -0.0007233500000000, -0.0013661000000000 ] - [ -0.0017420500000000, 0.0034266700000000, -0.0000401000000000 ] - [ 0.0002839900000000, 0.0003323900000000, -0.0004059500000000 ] - [ -0.0000069900000000, -0.0041586000000000, -0.0074468900000000 ] - [ 0.0002003200000000, -0.0003322000000000, -0.0000307100000000 ] - [ 0.0003022900000000, -0.0026073200000000, 0.0041565600000000 ] - [ 0.0023717300000000, -0.0005378800000000, 0.0015104000000000 ] - [ 0.0000985500000000, -0.0007201100000000, -0.0000137800000000 ] - [ 0.0098089300000000, -0.0004855300000000, -0.0069981300000000 ] - [ 0.0005033600000000, -0.0001846300000000, 0.0001023400000000 ] - [ 0.0005717800000000, 0.0042581400000000, -0.0021095100000000 ] - [ -0.0001147600000000, -0.0006734000000000, 0.0000507500000000 ] - [ 0.0027968700000000, -0.0004973600000000, -0.0031416500000000 ] - [ 0.0000860100000000, -0.0005559000000000, 0.0000865800000000 ] - [ 0.0007860700000000, 0.0017818800000000, 0.0034056700000000 ] - [ 0.0002324400000000, -0.0005107700000000, 0.0004602400000000 ] - [ -0.0000855400000000, 0.0002180700000000, -0.0007129100000000 ] - [ -0.0006231900000000, 0.0007529100000000, -0.0009811900000000 ] - [ -0.0014908600000000, 0.0018688100000000, 0.0033058000000000 ] - [ 0.0000681700000000, 0.0002305700000000, 0.0000260700000000 ] - [ -0.0001330400000000, 0.0001881700000000, 0.0001931700000000 ] - [ 0.0000209300000000, -0.0014130100000000, 0.0002165800000000 ] - [ -0.0000251100000000, -0.0007169900000000, -0.0001861800000000 ] - [ 0.0009801300000000, -0.0015248000000000, -0.0015027800000000 ] - [ 0.0001024600000000, -0.0001517600000000, 0.0001128300000000 ] - [ -0.0013119400000000, -0.0012175300000000, 0.0023051500000000 ] - [ 0.0063424800000000, -0.0048429400000000, 0.0047597800000000 ] - [ -0.0001718900000000, 0.0001320000000000, 0.0003159600000000 ] - [ 0.0000615900000000, 0.0002929300000000, -0.0010666200000000 ] - [ 0.0000967600000000, -0.0004995300000000, -0.0007773500000000 ] - [ -0.0003939200000000, 0.0000735400000000, -0.0001130200000000 ] - [ -0.0073620200000000, -0.0000480300000000, 0.0048297500000000 ] - [ 0.0022423500000000, -0.0017332100000000, 0.0003779900000000 ] - [ -0.0003505100000000, -0.0003156000000000, 0.0002445500000000 ] - [ 0.0000510800000000, -0.0002477800000000, -0.0000530900000000 ] - [ -0.0013961700000000, 0.0002325800000000, -0.0031582400000000 ] - [ 0.0001773900000000, 0.0003657200000000, -0.0002035200000000 ] - [ -0.0071910100000000, 0.0006313900000000, 0.0082348100000000 ] - [ -0.0001586200000000, -0.0008396000000000, -0.0007719100000000 ] - [ -0.0002172900000000, 0.0009032300000000, -0.0002132500000000 ] - [ 0.0002367400000000, -0.0007848400000000, -0.0002475800000000 ] - [ 0.0004425900000000, 0.0003340900000000, -0.0005592300000000 ] - [ -0.0072489300000000, 0.0052285500000000, 0.0009526100000000 ] - [ -0.0000252800000000, 0.0003772800000000, 0.0003828600000000 ] - [ 0.0002769900000000, 0.0001609700000000, 0.0002894800000000 ] - [ 0.0014943300000000, -0.0015469800000000, 0.0028447900000000 ] - [ 0.0001390900000000, 0.0005808200000000, 0.0002237300000000 ] - [ -0.0023763600000000, 0.0023858900000000, -0.0012577800000000 ] - [ 0.0002558400000000, -0.0001509100000000, -0.0000327000000000 ] - [ 0.0017175400000000, -0.0001967500000000, -0.0018330800000000 ] - [ 0.0010583200000000, 0.0001152500000000, -0.0002366800000000 ] - [ 0.0009070600000000, 0.0005930900000000, 0.0006319800000000 ] - [ 0.0003081300000000, 0.0006230000000000, 0.0000210000000000 ] - [ 0.0039193200000000, -0.0039102500000000, 0.0089156800000000 ] - [ 0.0197189900000000, 0.0041594100000000, -0.0478751500000000 ] - [ -0.0003432400000000, -0.0000622700000000, -0.0002819700000000 ] - [ 0.0000476800000000, -0.0004507500000000, 0.0030070000000000 ] - [ 0.0000061400000000, -0.0002456000000000, 0.0000553200000000 ] - [ 0.0001958700000000, -0.0000553700000000, -0.0001165800000000 ] - [ 0.0160562500000000, 0.0019497700000000, 0.0035811100000000 ] - [ -0.0003675700000000, -0.0010833300000000, 0.0017213200000000 ] - [ -0.0003315100000000, 0.0001097800000000, 0.0000535200000000 ] - [ 0.0017431300000000, -0.0019962900000000, 0.0001604100000000 ] - [ -0.0000244800000000, 0.0003135900000000, 0.0000275900000000 ] - [ 0.0000772800000000, -0.0001716200000000, 0.0001306800000000 ] - [ -0.0017290900000000, 0.0009351200000000, 0.0033267900000000 ] - [ 0.0000936000000000, 0.0003272000000000, 0.0000683700000000 ] - [ 0.0005719100000000, 0.0080839100000000, 0.0113561200000000 ] - [ 0.0033011200000000, 0.0085921200000000, 0.0036683800000000 ] - [ -0.0002042300000000, -0.0008933600000000, -0.0001485200000000 ] - [ 0.0002903600000000, 0.0006580800000000, 0.0004626700000000 ] - [ 0.0011814100000000, 0.0004936200000000, 0.0004377600000000 ] - [ 0.0000557200000000, -0.0005517900000000, -0.0011359500000000 ] - [ 0.0005554100000000, 0.0001355000000000, -0.0010304100000000 ] - [ 0.0004545200000000, 0.0005128300000000, 0.0007749300000000 ] - [ 0.0004131000000000, -0.0004988200000000, 0.0005822900000000 ] - [ 0.0001361800000000, 0.0002664900000000, -0.0001130400000000 ] - [ 0.0074661800000000, 0.0107603900000000, -0.0101431500000000 ] - [ -0.0000487900000000, -0.0002878100000000, -0.0012734500000000 ] - [ -0.0004222200000000, 0.0001224100000000, -0.0005326200000000 ] - [ -0.0000061900000000, -0.0003630200000000, 0.0005002500000000 ] - [ -0.0002960400000000, 0.0005246500000000, 0.0005495300000000 ] - [ 0.0002635800000000, -0.0000465000000000, 0.0005611000000000 ] - [ 0.0014663000000000, -0.0044673300000000, 0.0015071700000000 ] - [ -0.0015797700000000, 0.0033844100000000, -0.0009231900000000 ] - [ -0.0001346000000000, -0.0006887300000000, -0.0001997100000000 ] - [ -0.0000848200000000, -0.0002915300000000, -0.0004496100000000 ] - [ 0.0011137300000000, 0.0001936700000000, -0.0032910700000000 ] - [ 0.0000673900000000, -0.0029074500000000, -0.0001410600000000 ] - [ 0.0001957500000000, -0.0000831700000000, 0.0004061400000000 ] - [ -0.0030627000000000, -0.0030526800000000, 0.0017646300000000 ] - [ -0.0003631700000000, -0.0003656900000000, 0.0000150200000000 ] - [ -0.0000055700000000, 0.0001759700000000, 0.0001475100000000 ] - [ 0.0120056700000000, 0.0665367300000000, -0.1271522200000000 ] - [ -0.0037879400000000, 0.0003719400000000, 0.0009946100000000 ] - [ -0.0001504300000000, -0.0001749900000000, -0.0000222100000000 ] - [ -0.0006699700000000, -0.0004674000000000, 0.0006878000000000 ] - [ -0.0012898900000000, -0.0002843600000000, 0.0005107300000000 ] - [ 0.0000508500000000, 0.0003582800000000, -0.0001240100000000 ] - [ 0.0016877000000000, 0.0025837800000000, 0.0021576400000000 ] - [ -0.0005954100000000, -0.0000356900000000, -0.0024984900000000 ] - [ -0.0000214100000000, -0.0001349500000000, -0.0002348900000000 ] - [ -0.0007590100000000, 0.0019042900000000, -0.0030059200000000 ] - [ -0.0000810800000000, 0.0004225800000000, -0.0000571400000000 ] - [ -0.0052104700000000, -0.0002336800000000, 0.0044826800000000 ] - [ -0.0002336000000000, 0.0001170200000000, 0.0001393300000000 ] - [ -0.0005789600000000, 0.0005838800000000, -0.0000098500000000 ] - [ -0.0305608300000000, -0.0346279700000000, -0.2045086600000000 ] - [ 0.0007290200000000, -0.0008056200000000, -0.0000819400000000 ] - [ 0.0005977300000000, -0.0005734200000000, -0.0000855100000000 ] - [ 0.0002376400000000, 0.0002574300000000, -0.0000566100000000 ] - [ 0.0002469700000000, 0.0005289400000000, 0.0004533000000000 ]- atom: 57 displacement: [ 0.0099999786541794, 0.0000000000000000, -0.0000206619446251 ] forces: - [ 0.0001246400000000, 0.0004563300000000, -0.0000955800000000 ] - [ -0.0075558800000000, -0.0045114100000000, -0.0049765800000000 ] - [ 0.0000696300000000, 0.0004839300000000, -0.0000846900000000 ] - [ -0.0024482100000000, 0.0016807300000000, -0.0009171100000000 ] - [ 0.0128603900000000, -0.0020293800000000, -0.0014668400000000 ] - [ -0.0001109500000000, 0.0009465700000000, -0.0000346100000000 ] - [ 0.0021291700000000, 0.0024149500000000, 0.0021756100000000 ] - [ 0.0008951400000000, -0.0006473700000000, 0.0006309500000000 ] - [ 0.0002353000000000, 0.0008191600000000, -0.0000566900000000 ] - [ 0.0013207700000000, -0.0002307900000000, 0.0015279400000000 ] - [ -0.0008141400000000, -0.0005202800000000, 0.0004645600000000 ] - [ -0.0001291400000000, 0.0011803600000000, 0.0002361700000000 ] - [ 0.0002738500000000, -0.0000431800000000, -0.0005989400000000 ] - [ -0.0079752500000000, 0.0068147900000000, -0.0068878600000000 ] - [ 0.0000254300000000, 0.0011249000000000, -0.0000102700000000 ] - [ 0.0013781600000000, -0.0003727200000000, -0.0013370100000000 ] - [ -0.0002154200000000, 0.0008572900000000, 0.0000298000000000 ] - [ -0.0241332000000000, 0.0074811800000000, -0.0083609500000000 ] - [ -0.0005637100000000, -0.0000387800000000, 0.0003931400000000 ] - [ 0.0004025300000000, 0.0002421700000000, 0.0014928600000000 ] - [ -0.0030252400000000, -0.0025482800000000, -0.0044435900000000 ] - [ -0.0000958400000000, 0.0006196700000000, -0.0000326000000000 ] - [ -0.0048245700000000, -0.0028232800000000, 0.0012837500000000 ] - [ -0.0003950600000000, 0.0002124500000000, 0.0006224700000000 ] - [ -0.0001348200000000, 0.0004896000000000, 0.0006087400000000 ] - [ -0.0000270200000000, 0.0009469500000000, 0.0005277300000000 ] - [ -0.0000554700000000, 0.0004044700000000, -0.0000256500000000 ] - [ -0.0003985900000000, 0.0025485700000000, 0.0043679900000000 ] - [ 0.0004414200000000, 0.0009324400000000, 0.0001689800000000 ] - [ 0.0053651500000000, -0.0116051800000000, 0.0109611900000000 ] - [ 0.0802141300000000, 0.0019209800000000, -0.0198368400000000 ] - [ 0.0002576300000000, -0.0001436100000000, -0.0000756800000000 ] - [ -0.0001772400000000, -0.0002227100000000, -0.0025776400000000 ] - [ 0.0003189400000000, 0.0002619100000000, -0.0001835200000000 ] - [ -0.0008940800000000, 0.0197140400000000, -0.0042108200000000 ] - [ -0.0002483800000000, -0.0003224100000000, -0.0004572700000000 ] - [ -0.0004111500000000, 0.0016657900000000, 0.0036766100000000 ] - [ 0.0000400800000000, 0.0001587800000000, 0.0002443600000000 ] - [ -0.0015877100000000, -0.0008584300000000, -0.0003227500000000 ] - [ -0.0009845400000000, 0.0004081400000000, 0.0003686700000000 ] - [ 0.0006793800000000, -0.0002376200000000, 0.0000974000000000 ] - [ 0.0004679700000000, 0.0015198300000000, 0.0005559800000000 ] - [ 0.0008676000000000, -0.0030264100000000, -0.0021454800000000 ] - [ 0.0000530400000000, 0.0017883800000000, -0.0000639000000000 ] - [ -0.0020771000000000, 0.0032547500000000, 0.0007390800000000 ] - [ -0.0027893300000000, -0.0032422500000000, -0.0018106000000000 ] - [ -0.0006083100000000, 0.0004683800000000, -0.0007203400000000 ] - [ 0.0015200000000000, 0.0017035800000000, -0.0030355000000000 ] - [ 0.0002796300000000, 0.0005131900000000, 0.0003159500000000 ] - [ 0.0060074400000000, -0.0085766600000000, 0.0114774700000000 ] - [ 0.0012587000000000, -0.0004734100000000, -0.0019549800000000 ] - [ -0.0003058300000000, 0.0008295700000000, -0.0001760600000000 ] - [ -0.0016670200000000, 0.0039006400000000, -0.0015282700000000 ] - [ -0.0006070200000000, -0.0001814000000000, -0.0019969100000000 ] - [ -0.0003387800000000, 0.0003577800000000, -0.0002686500000000 ] - [ 0.1902066100000000, -0.0990236500000000, 0.0515546600000000 ] - [ -0.4409684900000000, 0.1316929000000000, -0.0035639200000000 ] - [ -0.0004418200000000, -0.0005771200000000, 0.0003266400000000 ] - [ 0.0000539700000000, -0.0007107100000000, 0.0005685100000000 ] - [ 0.0012547200000000, -0.0038506700000000, 0.0051533300000000 ] - [ 0.0003476400000000, 0.0000617500000000, -0.0000733100000000 ] - [ -0.0000524400000000, 0.0008717400000000, 0.0018107000000000 ] - [ 0.0000037800000000, -0.0064575000000000, -0.0027654500000000 ] - [ 0.0000663300000000, 0.0013629000000000, 0.0001794900000000 ] - [ 0.0001703200000000, -0.0024041300000000, -0.0007791800000000 ] - [ 0.0001372600000000, 0.0068983300000000, -0.0001980400000000 ] - [ 0.0000788000000000, 0.0007574300000000, 0.0019407400000000 ] - [ 0.0002080700000000, -0.0000392900000000, 0.0006864600000000 ] - [ 0.0000989900000000, 0.0003230600000000, 0.0000156500000000 ] - [ -0.0012293700000000, -0.0008450400000000, -0.0008377300000000 ] - [ 0.0000266800000000, -0.0001404800000000, 0.0003657200000000 ] - [ 0.0300095900000000, 0.0329803600000000, -0.0141781800000000 ] - [ 0.0000736100000000, -0.0008165800000000, -0.0003605300000000 ] - [ -0.0019944100000000, 0.0025205900000000, -0.0042191900000000 ] - [ -0.0004726200000000, 0.0014347000000000, -0.0000481400000000 ] - [ 0.0002902400000000, -0.0004794800000000, -0.0001670900000000 ] - [ 0.0003324600000000, 0.0001609300000000, 0.0000328900000000 ] - [ -0.0019571200000000, 0.0013248500000000, -0.0001389400000000 ] - [ 0.0013409400000000, 0.0019077300000000, 0.0005796000000000 ] - [ -0.0002655500000000, -0.0002845400000000, -0.0001860100000000 ] - [ 0.0025118000000000, 0.0001326800000000, -0.0023121100000000 ] - [ -0.0000195800000000, -0.0007295700000000, -0.0003680800000000 ] - [ 0.0002245800000000, -0.0002873100000000, -0.0000365000000000 ] - [ 0.0746274900000000, -0.0296538900000000, -0.0040771100000000 ] - [ 0.0012348600000000, -0.0060874000000000, 0.0047979100000000 ] - [ -0.0000970700000000, -0.0003338700000000, 0.0005664300000000 ] - [ 0.0025994600000000, 0.0043768900000000, -0.0001310400000000 ] - [ 0.0000409400000000, -0.0002621500000000, -0.0003193400000000 ] - [ 0.0004537600000000, -0.0006754900000000, -0.0001239100000000 ] - [ 0.0013149200000000, -0.0001182700000000, -0.0004648100000000 ] - [ 0.0002290000000000, 0.0000857600000000, -0.0001838000000000 ] - [ 0.0076264800000000, -0.0035346900000000, -0.0043855800000000 ] - [ -0.0017485300000000, 0.0000730200000000, -0.0011683900000000 ] - [ -0.0002334100000000, -0.0010573700000000, -0.0001509300000000 ] - [ -0.0000355100000000, 0.0002803000000000, -0.0003298500000000 ] - [ -0.0006835400000000, 0.0000655400000000, -0.0005393200000000 ] - [ 0.0023317600000000, -0.0004910200000000, -0.0004563600000000 ] - [ 0.0023357800000000, -0.0000970400000000, -0.0002772000000000 ] - [ -0.0006297400000000, 0.0009454400000000, -0.0003933900000000 ] - [ -0.0000438400000000, -0.0005140600000000, -0.0008578900000000 ] - [ 0.0001253600000000, 0.0001446300000000, 0.0001301600000000 ] - [ 0.0049631300000000, -0.0036790100000000, 0.0038631200000000 ] - [ 0.0009897700000000, 0.0008770600000000, 0.0005835600000000 ] - [ 0.0004339600000000, -0.0008742200000000, -0.0002364700000000 ] - [ 0.0005684300000000, -0.0020025900000000, 0.0001528800000000 ] - [ 0.0007620700000000, 0.0008789300000000, 0.0016431800000000 ] - [ 0.0001130000000000, -0.0006794400000000, 0.0000194900000000 ] - [ 0.0005207200000000, -0.0006346800000000, -0.0003256300000000 ] - [ -0.0002449400000000, 0.0010263800000000, -0.0000279900000000 ] - [ -0.0002446800000000, -0.0001517900000000, -0.0001442000000000 ] - [ -0.0000321800000000, -0.0005387600000000, -0.0002501400000000 ] - [ 0.0026809800000000, -0.0201812500000000, 0.0187691600000000 ] - [ 0.0027593500000000, 0.0008911400000000, 0.0011047600000000 ] - [ 0.0002915200000000, -0.0005488100000000, 0.0002430300000000 ] - [ 0.0503506600000000, -0.0264347400000000, 0.0115827100000000 ] - [ -0.0003368700000000, -0.0007508600000000, 0.0001999000000000 ] - [ 0.0000316300000000, -0.0001157200000000, 0.0002343700000000 ] - [ 0.0009152500000000, 0.0005916800000000, 0.0019889100000000 ] - [ -0.0013876700000000, -0.0005223300000000, -0.0004880000000000 ] - [ -0.0002806600000000, -0.0005698800000000, 0.0001127300000000 ] - [ 0.0002058700000000, -0.0019294200000000, 0.0018187700000000 ] - [ -0.0001969400000000, -0.0016759900000000, 0.0017542200000000 ] - [ 0.0000099100000000, 0.0002728000000000, -0.0006581800000000 ] - [ -0.0006007400000000, -0.0008163400000000, -0.0019913000000000 ] - [ 0.0117435400000000, 0.0004542300000000, -0.0360133600000000 ] - [ -0.0000979800000000, -0.0004755600000000, -0.0002394900000000 ] - [ -0.0010822500000000, 0.0015106700000000, 0.0015769900000000 ] - [ -0.0003029300000000, -0.0002414900000000, 0.0004383400000000 ] - [ 0.0004019600000000, -0.0000146800000000, 0.0007629300000000 ] - [ -0.0000807500000000, -0.0001942300000000, 0.0002375500000000 ] - [ -0.0005646200000000, 0.0003220400000000, -0.0000432600000000 ] - [ 0.0079818900000000, 0.0039325000000000, 0.0048972400000000 ] - [ -0.0015258700000000, -0.0015278600000000, -0.0074906300000000 ] - [ 0.0004353900000000, -0.0010024700000000, -0.0003562300000000 ] - [ 0.0002761400000000, -0.0001462200000000, -0.0003183600000000 ] - [ -0.0008264200000000, -0.0004459700000000, -0.0002913700000000 ]- atom: 57 displacement: [ -0.0099999786541794, 0.0000000000000000, 0.0000206619446251 ] forces: - [ 0.0003491800000000, -0.0011114100000000, 0.0002002800000000 ] - [ 0.0080340200000000, 0.0038741600000000, 0.0051134800000000 ] - [ 0.0004040500000000, 0.0001704000000000, 0.0001887700000000 ] - [ 0.0029236900000000, -0.0010272400000000, 0.0010110900000000 ] - [ -0.0131530600000000, 0.0028043800000000, 0.0010563100000000 ] - [ -0.0003608900000000, -0.0002942600000000, -0.0000696200000000 ] - [ -0.0026243700000000, -0.0030643400000000, -0.0022814200000000 ] - [ -0.0013731400000000, -0.0000016900000000, -0.0007380600000000 ] - [ 0.0001156400000000, 0.0000686300000000, -0.0001799700000000 ] - [ -0.0009609000000000, 0.0010729500000000, -0.0017781600000000 ] - [ 0.0004622400000000, 0.0014124800000000, -0.0002506300000000 ] - [ -0.0002231300000000, -0.0002968500000000, -0.0000039800000000 ] - [ 0.0002937600000000, -0.0004623700000000, 0.0000756900000000 ] - [ 0.0086206200000000, -0.0073648700000000, 0.0063531900000000 ] - [ -0.0000856300000000, 0.0002267000000000, 0.0001020200000000 ] - [ -0.0014735900000000, 0.0017417900000000, 0.0013941800000000 ] - [ 0.0000203600000000, 0.0000301100000000, -0.0002446500000000 ] - [ 0.0239324800000000, -0.0065789700000000, 0.0080823900000000 ] - [ -0.0002366300000000, -0.0001753300000000, -0.0006130900000000 ] - [ -0.0012027300000000, -0.0004526300000000, -0.0017091900000000 ] - [ 0.0027760800000000, 0.0027608000000000, 0.0042199900000000 ] - [ -0.0001572100000000, -0.0004029500000000, -0.0001596200000000 ] - [ 0.0042830300000000, 0.0023147300000000, -0.0007622900000000 ] - [ -0.0001681400000000, -0.0007177300000000, -0.0000986900000000 ] - [ 0.0001933700000000, 0.0008645500000000, -0.0007133100000000 ] - [ 0.0000936900000000, 0.0003945900000000, -0.0006281500000000 ] - [ 0.0006267300000000, 0.0001040100000000, -0.0004984600000000 ] - [ 0.0009698000000000, -0.0020244100000000, -0.0048683500000000 ] - [ -0.0000903100000000, -0.0018215400000000, -0.0004048100000000 ] - [ -0.0050618200000000, 0.0107368600000000, -0.0112434900000000 ] - [ -0.0889619200000000, -0.0035211300000000, 0.0236373400000000 ] - [ -0.0002003800000000, -0.0012073900000000, -0.0000175200000000 ] - [ 0.0009715400000000, 0.0000070600000000, 0.0028145100000000 ] - [ 0.0004832600000000, -0.0004770500000000, 0.0004027700000000 ] - [ 0.0004806800000000, -0.0207127800000000, 0.0044777100000000 ] - [ -0.0001038100000000, -0.0005596200000000, 0.0006941200000000 ] - [ 0.0006124400000000, -0.0025707400000000, -0.0034647800000000 ] - [ 0.0001572900000000, -0.0010452700000000, -0.0000310000000000 ] - [ 0.0024042300000000, 0.0010742400000000, 0.0005389900000000 ] - [ 0.0017925200000000, -0.0001885900000000, -0.0001501700000000 ] - [ -0.0004288100000000, 0.0004682400000000, 0.0000923100000000 ] - [ -0.0002042400000000, -0.0013285300000000, -0.0003527500000000 ] - [ -0.0006503800000000, 0.0039356000000000, 0.0023583100000000 ] - [ 0.0001493500000000, -0.0009052600000000, 0.0002804700000000 ] - [ 0.0020276700000000, -0.0046245300000000, -0.0006503300000000 ] - [ 0.0027386100000000, 0.0019075100000000, 0.0019133600000000 ] - [ 0.0004161600000000, -0.0013577100000000, 0.0005111400000000 ] - [ -0.0017275200000000, -0.0025916500000000, 0.0028408300000000 ] - [ -0.0000259800000000, -0.0007290800000000, -0.0001256300000000 ] - [ -0.0057630800000000, 0.0083483100000000, -0.0112822000000000 ] - [ -0.0018217800000000, 0.0009700800000000, 0.0025127800000000 ] - [ -0.0002619100000000, -0.0003226900000000, 0.0007009800000000 ] - [ 0.0014234000000000, -0.0041402500000000, 0.0013437200000000 ] - [ 0.0003531800000000, -0.0000310400000000, 0.0018123300000000 ] - [ -0.0004644300000000, -0.0001415500000000, 0.0000496700000000 ] - [ -0.1829327600000000, 0.0915798900000000, -0.0474113000000000 ] - [ 0.4413425500000000, -0.1239086100000000, -0.0039204600000000 ] - [ -0.0001745800000000, -0.0001013300000000, 0.0001224800000000 ] - [ 0.0000952600000000, 0.0000150800000000, -0.0004991100000000 ] - [ -0.0011175300000000, 0.0031745500000000, -0.0050960900000000 ] - [ 0.0002717300000000, 0.0006152600000000, -0.0003769600000000 ] - [ 0.0006862900000000, -0.0001968500000000, -0.0022664500000000 ] - [ -0.0002954400000000, 0.0076943900000000, 0.0023246800000000 ] - [ -0.0003741700000000, -0.0001771400000000, -0.0006473400000000 ] - [ 0.0004895500000000, 0.0013913300000000, 0.0007232900000000 ] - [ 0.0005378500000000, -0.0079708900000000, 0.0001433000000000 ] - [ 0.0000467300000000, -0.0001092500000000, -0.0011220700000000 ] - [ -0.0000785500000000, 0.0006814500000000, 0.0001441200000000 ] - [ 0.0004113800000000, -0.0000250600000000, 0.0000482200000000 ] - [ 0.0017262300000000, 0.0011889700000000, 0.0009018100000000 ] - [ 0.0002826300000000, 0.0013349200000000, 0.0000990800000000 ] - [ -0.0300969400000000, -0.0322550100000000, 0.0148390100000000 ] - [ 0.0004342000000000, 0.0005134600000000, 0.0004221400000000 ] - [ 0.0025075100000000, -0.0028099800000000, 0.0042998700000000 ] - [ 0.0015844700000000, -0.0002114100000000, -0.0001410100000000 ] - [ 0.0008175200000000, 0.0017202100000000, -0.0000308100000000 ] - [ 0.0003260500000000, 0.0008569300000000, -0.0000924100000000 ] - [ 0.0026303600000000, -0.0002743500000000, 0.0001476000000000 ] - [ -0.0018471100000000, -0.0015950800000000, -0.0006248500000000 ] - [ -0.0002413500000000, 0.0005889700000000, 0.0001256800000000 ] - [ -0.0026895100000000, -0.0008265500000000, 0.0022425900000000 ] - [ -0.0001312500000000, 0.0000328100000000, 0.0002957600000000 ] - [ 0.0001438500000000, 0.0001462500000000, -0.0002017500000000 ] - [ -0.0729763900000000, 0.0288327300000000, 0.0036809100000000 ] - [ -0.0017354200000000, 0.0058235800000000, -0.0048982500000000 ] - [ -0.0004094100000000, 0.0000274600000000, -0.0006299300000000 ] - [ -0.0028916500000000, -0.0038311300000000, 0.0001396300000000 ] - [ -0.0003147100000000, 0.0008092800000000, 0.0003267900000000 ] - [ -0.0001843100000000, 0.0001293800000000, 0.0001161200000000 ] - [ -0.0010386500000000, -0.0004345300000000, 0.0004408800000000 ] - [ -0.0000797900000000, 0.0006099700000000, 0.0002555400000000 ] - [ -0.0074413700000000, 0.0042043300000000, 0.0044376200000000 ] - [ 0.0014455100000000, -0.0012810400000000, 0.0007229100000000 ] - [ -0.0000742500000000, -0.0001360100000000, -0.0003137900000000 ] - [ -0.0005847200000000, 0.0003961700000000, 0.0007823100000000 ] - [ 0.0000596300000000, 0.0006102900000000, 0.0009906600000000 ] - [ -0.0017247400000000, -0.0001851200000000, 0.0000095500000000 ] - [ -0.0017222300000000, -0.0005860000000000, -0.0001731700000000 ] - [ 0.0005744400000000, -0.0006011400000000, -0.0000077600000000 ] - [ -0.0000137900000000, 0.0008800300000000, 0.0004553500000000 ] - [ 0.0001458400000000, 0.0004005100000000, -0.0001375300000000 ] - [ -0.0047224400000000, 0.0042167400000000, -0.0038389400000000 ] - [ -0.0013710600000000, -0.0010225100000000, -0.0003446200000000 ] - [ -0.0008054900000000, 0.0007343100000000, 0.0004763400000000 ] - [ -0.0005150700000000, 0.0016583200000000, 0.0002550000000000 ] - [ -0.0007056900000000, -0.0012409600000000, -0.0012430000000000 ] - [ 0.0001967900000000, -0.0005160700000000, 0.0004483100000000 ] - [ -0.0002127100000000, -0.0005393200000000, 0.0008059600000000 ] - [ -0.0004105900000000, -0.0000069000000000, 0.0000942600000000 ] - [ -0.0004120100000000, 0.0011761300000000, 0.0002081500000000 ] - [ -0.0000977100000000, -0.0001045200000000, -0.0005810300000000 ] - [ -0.0030924800000000, 0.0196279300000000, -0.0197078600000000 ] - [ -0.0026443100000000, -0.0015356800000000, -0.0002765800000000 ] - [ -0.0001632400000000, -0.0000964000000000, 0.0005858400000000 ] - [ -0.0520935900000000, 0.0258582800000000, -0.0117445000000000 ] - [ -0.0003196100000000, -0.0002721600000000, -0.0001406500000000 ] - [ 0.0000241000000000, 0.0004692400000000, 0.0001732700000000 ] - [ -0.0008549900000000, -0.0002434200000000, -0.0015544200000000 ] - [ 0.0011225300000000, -0.0000185700000000, 0.0004860100000000 ] - [ 0.0000102000000000, 0.0000220500000000, -0.0001049800000000 ] - [ -0.0013224200000000, 0.0007042300000000, -0.0016403300000000 ] - [ -0.0009132600000000, 0.0004440500000000, -0.0015717900000000 ] - [ -0.0001428900000000, 0.0003675300000000, -0.0001725100000000 ] - [ 0.0004630800000000, 0.0014502000000000, 0.0011535800000000 ] - [ -0.0117870500000000, -0.0007955700000000, 0.0358431200000000 ] - [ 0.0000434100000000, 0.0001203700000000, -0.0001672200000000 ] - [ 0.0009201300000000, -0.0008284400000000, -0.0016747300000000 ] - [ 0.0001543900000000, 0.0009383700000000, -0.0005129400000000 ] - [ -0.0007685600000000, 0.0001587400000000, -0.0005357200000000 ] - [ -0.0002866000000000, 0.0003337500000000, 0.0000002700000000 ] - [ -0.0005477200000000, 0.0009095500000000, 0.0002334000000000 ] - [ -0.0090716300000000, -0.0026900000000000, -0.0046782600000000 ] - [ 0.0026503200000000, 0.0003027600000000, 0.0073271800000000 ] - [ 0.0006769100000000, -0.0002299100000000, 0.0001660100000000 ] - [ 0.0000903300000000, 0.0002853800000000, 0.0000787500000000 ] - [ 0.0011966400000000, 0.0005840000000000, 0.0000493600000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001245000000000, -0.0017619200000000, 0.0001344100000000 ] - [ 0.0008077500000000, 0.0036746500000000, -0.0010248400000000 ] - [ 0.0002482400000000, -0.0006334700000000, -0.0001187800000000 ] - [ 0.0014422000000000, -0.0002976600000000, 0.0006916600000000 ] - [ -0.0008043600000000, 0.0081341500000000, -0.0033720300000000 ] - [ -0.0004131800000000, -0.0011532400000000, -0.0000334100000000 ] - [ 0.0006791500000000, -0.0025509100000000, -0.0028216500000000 ] - [ -0.0002576600000000, -0.0018283500000000, 0.0001328000000000 ] - [ 0.0004084300000000, -0.0013780800000000, 0.0004455200000000 ] - [ -0.0005077500000000, 0.0023965800000000, -0.0031250100000000 ] - [ 0.0001762800000000, 0.0013127600000000, 0.0012370000000000 ] - [ -0.0003419800000000, -0.0012248700000000, -0.0000135000000000 ] - [ 0.0005172700000000, -0.0012640800000000, 0.0001324700000000 ] - [ 0.0089419000000000, -0.0080107100000000, 0.0010012900000000 ] - [ 0.0001785700000000, -0.0006731600000000, 0.0002958800000000 ] - [ -0.0005507700000000, 0.0044281100000000, 0.0004911800000000 ] - [ -0.0001318100000000, -0.0008679900000000, -0.0002337200000000 ] - [ 0.0075754800000000, -0.0011267600000000, 0.0001090000000000 ] - [ -0.0005661600000000, -0.0007466000000000, -0.0004203700000000 ] - [ -0.0008725200000000, -0.0003964700000000, -0.0001797000000000 ] - [ 0.0008937600000000, 0.0037020100000000, 0.0019884600000000 ] - [ -0.0003227500000000, -0.0012712100000000, -0.0002212500000000 ] - [ -0.0016493600000000, 0.0011953900000000, 0.0015560200000000 ] - [ -0.0004648100000000, -0.0012144000000000, -0.0003277400000000 ] - [ 0.0004314900000000, 0.0000518100000000, 0.0014071400000000 ] - [ -0.0001903100000000, -0.0000224000000000, -0.0007029100000000 ] - [ -0.0000018600000000, -0.0006829500000000, -0.0007332900000000 ] - [ 0.0004726400000000, 0.0002835300000000, -0.0012403700000000 ] - [ -0.0000325200000000, -0.0023916000000000, -0.0003437900000000 ] - [ 0.0013096200000000, -0.0031969300000000, 0.0062128100000000 ] - [ 0.0039272600000000, 0.0458951700000000, -0.0090145400000000 ] - [ 0.0001885300000000, -0.0020775200000000, 0.0001609300000000 ] - [ 0.0001318000000000, 0.0017630600000000, 0.0003064700000000 ] - [ 0.0006318200000000, -0.0010362700000000, 0.0005358800000000 ] - [ 0.0015777200000000, -0.0071915700000000, 0.0018058700000000 ] - [ -0.0000091600000000, -0.0022038600000000, 0.0002000000000000 ] - [ -0.0005340400000000, 0.0018013600000000, 0.0002263200000000 ] - [ 0.0000804400000000, -0.0017752500000000, -0.0000222900000000 ] - [ 0.0001723100000000, -0.0001122100000000, -0.0002246100000000 ] - [ 0.0004791500000000, -0.0007803100000000, -0.0004462900000000 ] - [ 0.0002678500000000, -0.0021661700000000, 0.0007018400000000 ] - [ 0.0005976300000000, -0.0022328300000000, 0.0000918000000000 ] - [ -0.0020285800000000, -0.0015865300000000, -0.0001665900000000 ] - [ 0.0003997700000000, -0.0013004500000000, 0.0003404800000000 ] - [ 0.0004523200000000, -0.0029743200000000, -0.0002920600000000 ] - [ -0.0003707600000000, -0.0021654400000000, -0.0006097100000000 ] - [ -0.0000330100000000, -0.0016502200000000, 0.0000030600000000 ] - [ -0.0012797600000000, -0.0016229400000000, 0.0024602000000000 ] - [ -0.0000950100000000, -0.0015309200000000, -0.0000456800000000 ] - [ -0.0024989600000000, 0.0084975700000000, -0.0015221600000000 ] - [ -0.0018702500000000, 0.0031455400000000, -0.0032460500000000 ] - [ 0.0000140800000000, -0.0008291500000000, 0.0009180800000000 ] - [ 0.0004889100000000, -0.0020479000000000, 0.0005675400000000 ] - [ 0.0000954400000000, -0.0011955300000000, 0.0001857300000000 ] - [ -0.0001932900000000, -0.0008694000000000, 0.0002799300000000 ] - [ -0.0890163900000000, 0.1181489300000000, -0.0480718000000000 ] - [ 0.1248150800000000, -0.1799208600000000, 0.0779096600000000 ] - [ -0.0005526000000000, 0.0003963200000000, 0.0000190200000000 ] - [ 0.0000971900000000, 0.0003977200000000, -0.0004035400000000 ] - [ -0.0015630600000000, 0.0031106200000000, -0.0036203200000000 ] - [ 0.0000358100000000, 0.0010371000000000, -0.0004334100000000 ] - [ 0.0008491300000000, -0.0013271200000000, -0.0004105400000000 ] - [ -0.0008501400000000, 0.0029835900000000, 0.0005183700000000 ] - [ -0.0001787400000000, 0.0017835000000000, 0.0001012100000000 ] - [ 0.0004570000000000, 0.0012640400000000, 0.0004562300000000 ] - [ 0.0001282300000000, 0.0013595000000000, -0.0002798600000000 ] - [ 0.0009912700000000, -0.0017574600000000, 0.0011051500000000 ] - [ -0.0002631500000000, 0.0011027500000000, -0.0000480600000000 ] - [ -0.0000956200000000, 0.0016248300000000, -0.0005783300000000 ] - [ -0.0000243400000000, 0.0021331100000000, 0.0019009200000000 ] - [ 0.0002502400000000, 0.0018830900000000, -0.0000140800000000 ] - [ 0.0259076600000000, 0.0104451500000000, -0.0076567900000000 ] - [ 0.0004919800000000, 0.0010277600000000, 0.0004275500000000 ] - [ 0.0000922100000000, -0.0044998900000000, -0.0028847700000000 ] - [ 0.0009872000000000, 0.0017838400000000, -0.0005337300000000 ] - [ 0.0001490500000000, 0.0019268500000000, -0.0003206200000000 ] - [ 0.0001173100000000, 0.0020252300000000, -0.0004452500000000 ] - [ 0.0007654600000000, -0.0024614500000000, 0.0024976600000000 ] - [ -0.0010386300000000, -0.0019652900000000, -0.0011219900000000 ] - [ -0.0000553000000000, 0.0012465700000000, 0.0002661200000000 ] - [ 0.0012849100000000, -0.0014719300000000, -0.0008205000000000 ] - [ -0.0000850500000000, 0.0004401300000000, 0.0005116500000000 ] - [ 0.0000114700000000, 0.0005871200000000, -0.0003029800000000 ] - [ -0.0212695600000000, -0.0030916000000000, 0.0045887700000000 ] - [ -0.0008518500000000, 0.0018827400000000, -0.0018650700000000 ] - [ -0.0004610400000000, 0.0008728100000000, -0.0003570600000000 ] - [ 0.0033469800000000, 0.0004966600000000, -0.0011208700000000 ] - [ -0.0002911200000000, 0.0011732900000000, 0.0004236000000000 ] - [ 0.0001273600000000, 0.0004630000000000, 0.0002807400000000 ] - [ 0.0000541400000000, -0.0007265000000000, -0.0003783200000000 ] - [ 0.0000798400000000, 0.0011075300000000, 0.0005160800000000 ] - [ -0.0014301800000000, 0.0004814000000000, 0.0011695000000000 ] - [ -0.0008876200000000, -0.0022232500000000, -0.0014454700000000 ] - [ -0.0000573800000000, 0.0005759300000000, -0.0004536100000000 ] - [ -0.0002553100000000, 0.0007313700000000, 0.0002456500000000 ] - [ -0.0000397600000000, 0.0007398000000000, 0.0003682500000000 ] - [ 0.0000721600000000, 0.0002837300000000, 0.0000933900000000 ] - [ 0.0004705900000000, 0.0002853800000000, 0.0000365400000000 ] - [ 0.0001809500000000, 0.0014708700000000, -0.0012192700000000 ] - [ -0.0000424300000000, 0.0014472400000000, 0.0005337400000000 ] - [ 0.0001998000000000, 0.0010138900000000, -0.0002740200000000 ] - [ -0.0039063900000000, 0.0013859700000000, 0.0008751300000000 ] - [ 0.0006348900000000, 0.0004681500000000, 0.0004628600000000 ] - [ -0.0002659200000000, 0.0006989300000000, 0.0003354800000000 ] - [ -0.0001394700000000, 0.0009102800000000, 0.0002039100000000 ] - [ 0.0001325300000000, 0.0003154300000000, 0.0004787100000000 ] - [ -0.0000345400000000, 0.0003549400000000, 0.0000602600000000 ] - [ 0.0002271300000000, -0.0006111200000000, 0.0009267800000000 ] - [ -0.0005652200000000, -0.0000909000000000, -0.0004456800000000 ] - [ -0.0001702800000000, 0.0017834400000000, 0.0003370800000000 ] - [ -0.0003570800000000, 0.0004435200000000, -0.0008008700000000 ] - [ -0.0227779300000000, 0.0163941900000000, -0.0267223800000000 ] - [ 0.0005650900000000, -0.0000910600000000, 0.0003581100000000 ] - [ 0.0003127700000000, 0.0003767700000000, 0.0009024500000000 ] - [ -0.0254981900000000, 0.0001730800000000, -0.0034340300000000 ] - [ -0.0005228800000000, 0.0009706500000000, -0.0002943700000000 ] - [ 0.0000173800000000, 0.0010272500000000, 0.0000614100000000 ] - [ -0.0001559100000000, -0.0015611800000000, -0.0005602900000000 ] - [ -0.0001283300000000, -0.0013335200000000, 0.0011792900000000 ] - [ -0.0000926700000000, 0.0005085900000000, -0.0003841300000000 ] - [ -0.0008879600000000, 0.0002111900000000, -0.0006158200000000 ] - [ -0.0006972100000000, 0.0002285800000000, -0.0007783700000000 ] - [ 0.0002454800000000, 0.0009874700000000, -0.0001002600000000 ] - [ -0.0001036800000000, 0.0004322500000000, -0.0001373300000000 ] - [ -0.0068873900000000, -0.0110458700000000, 0.0140976400000000 ] - [ -0.0000275800000000, 0.0007231500000000, -0.0003237400000000 ] - [ 0.0019203900000000, 0.0012850500000000, 0.0032234100000000 ] - [ -0.0000672100000000, 0.0012919000000000, -0.0007036100000000 ] - [ 0.0004540800000000, -0.0013037400000000, 0.0002248400000000 ] - [ -0.0003774000000000, 0.0007029000000000, -0.0000638000000000 ] - [ -0.0003132400000000, 0.0014390700000000, 0.0004159900000000 ] - [ -0.0039909800000000, -0.0021832800000000, -0.0021368500000000 ] - [ 0.0012287100000000, -0.0027532100000000, 0.0003868000000000 ] - [ 0.0008048100000000, 0.0002268800000000, 0.0002535100000000 ] - [ 0.0003192800000000, 0.0005537700000000, 0.0001485000000000 ] - [ 0.0007594900000000, 0.0005533600000000, -0.0004575600000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003471200000000, 0.0011081700000000, -0.0000318200000000 ] - [ -0.0003632300000000, -0.0043401200000000, 0.0011068900000000 ] - [ 0.0002229200000000, 0.0012872200000000, 0.0002207200000000 ] - [ -0.0009803300000000, 0.0009532800000000, -0.0005909600000000 ] - [ 0.0003862000000000, -0.0075207600000000, 0.0032338700000000 ] - [ -0.0000583700000000, 0.0018062700000000, -0.0000691400000000 ] - [ -0.0011299700000000, 0.0018988200000000, 0.0026999100000000 ] - [ -0.0002094300000000, 0.0011710800000000, -0.0002338700000000 ] - [ -0.0000545400000000, 0.0022584300000000, -0.0006735800000000 ] - [ 0.0008660400000000, -0.0015282000000000, 0.0029104400000000 ] - [ -0.0005326500000000, -0.0004229300000000, -0.0010005100000000 ] - [ -0.0000113000000000, 0.0021068100000000, 0.0002446200000000 ] - [ 0.0000522300000000, 0.0007563100000000, -0.0006604800000000 ] - [ -0.0083994800000000, 0.0075529600000000, -0.0015042700000000 ] - [ -0.0002402900000000, 0.0020216500000000, -0.0002021400000000 ] - [ 0.0004867700000000, -0.0030736000000000, -0.0004019700000000 ] - [ -0.0000654000000000, 0.0017519500000000, 0.0000182300000000 ] - [ -0.0077670500000000, 0.0019921400000000, -0.0003229400000000 ] - [ -0.0002317300000000, 0.0005313500000000, 0.0002014500000000 ] - [ 0.0000772800000000, 0.0001774800000000, -0.0000384000000000 ] - [ -0.0011573800000000, -0.0034885800000000, -0.0021830800000000 ] - [ 0.0000686200000000, 0.0014843500000000, 0.0000282300000000 ] - [ 0.0010652500000000, -0.0017004700000000, -0.0010166900000000 ] - [ -0.0001053700000000, 0.0007076200000000, 0.0008551300000000 ] - [ -0.0003677400000000, 0.0012988500000000, -0.0014897000000000 ] - [ 0.0002519600000000, 0.0013701100000000, 0.0006131000000000 ] - [ 0.0005694800000000, 0.0011887300000000, 0.0002065500000000 ] - [ 0.0000973800000000, 0.0002228900000000, 0.0007185400000000 ] - [ 0.0003865100000000, 0.0015092500000000, 0.0001135600000000 ] - [ -0.0009571100000000, 0.0022698500000000, -0.0064113700000000 ] - [ -0.0035111400000000, -0.0470336300000000, 0.0087018100000000 ] - [ -0.0001243800000000, 0.0007269600000000, -0.0002539900000000 ] - [ 0.0006641300000000, -0.0019757300000000, -0.0001007700000000 ] - [ 0.0001672400000000, 0.0008197300000000, -0.0003155800000000 ] - [ -0.0019315300000000, 0.0063945000000000, -0.0015887500000000 ] - [ -0.0003435600000000, 0.0013174700000000, 0.0000286000000000 ] - [ 0.0007404500000000, -0.0026662800000000, 0.0000025200000000 ] - [ 0.0001160000000000, 0.0008897700000000, 0.0002382500000000 ] - [ 0.0006188600000000, 0.0003273800000000, 0.0004447100000000 ] - [ 0.0003148200000000, 0.0009950100000000, 0.0006668500000000 ] - [ -0.0000123700000000, 0.0023701500000000, -0.0005031100000000 ] - [ -0.0003444200000000, 0.0024538900000000, 0.0000999000000000 ] - [ 0.0022091500000000, 0.0024578100000000, 0.0003775000000000 ] - [ -0.0002042400000000, 0.0021881500000000, -0.0001255500000000 ] - [ -0.0005195300000000, 0.0016323000000000, 0.0003868200000000 ] - [ 0.0002985600000000, 0.0008045000000000, 0.0006959300000000 ] - [ -0.0001648300000000, 0.0007666300000000, -0.0002210700000000 ] - [ 0.0010929600000000, 0.0007441100000000, -0.0026910200000000 ] - [ 0.0003492100000000, 0.0013162100000000, 0.0002392300000000 ] - [ 0.0027883500000000, -0.0087903500000000, 0.0017948800000000 ] - [ 0.0013082800000000, -0.0026289400000000, 0.0037458900000000 ] - [ -0.0005822800000000, 0.0013358600000000, -0.0003915200000000 ] - [ -0.0007460900000000, 0.0018454700000000, -0.0007634900000000 ] - [ -0.0003503900000000, 0.0009785200000000, -0.0003857300000000 ] - [ -0.0006045600000000, 0.0010840400000000, -0.0004999400000000 ] - [ 0.0930622000000000, -0.1193255800000000, 0.0497481100000000 ] - [ -0.1310175800000000, 0.1807611300000000, -0.0793618100000000 ] - [ -0.0000682700000000, -0.0010697500000000, 0.0004247900000000 ] - [ 0.0000568800000000, -0.0010972700000000, 0.0004829400000000 ] - [ 0.0017234200000000, -0.0038419700000000, 0.0037204800000000 ] - [ 0.0005828200000000, -0.0003641600000000, -0.0000094400000000 ] - [ -0.0002267600000000, 0.0019982100000000, -0.0000248000000000 ] - [ 0.0005352900000000, -0.0018137000000000, -0.0009896200000000 ] - [ -0.0001292100000000, -0.0005818200000000, -0.0005610400000000 ] - [ 0.0001977600000000, -0.0022908700000000, -0.0005231400000000 ] - [ 0.0005313000000000, -0.0023568600000000, 0.0002130400000000 ] - [ -0.0008483800000000, 0.0023958400000000, -0.0002677100000000 ] - [ 0.0004029100000000, -0.0004598000000000, 0.0008744500000000 ] - [ 0.0005979800000000, -0.0013144800000000, 0.0006372700000000 ] - [ 0.0005298400000000, -0.0018547300000000, -0.0018603700000000 ] - [ 0.0000579600000000, -0.0006865700000000, 0.0004764400000000 ] - [ -0.0258610000000000, -0.0092707200000000, 0.0081317500000000 ] - [ 0.0000120100000000, -0.0013319400000000, -0.0003674600000000 ] - [ 0.0004104200000000, 0.0042168900000000, 0.0029314600000000 ] - [ 0.0001218900000000, -0.0005460400000000, 0.0003423800000000 ] - [ 0.0009563900000000, -0.0006986700000000, 0.0001324500000000 ] - [ 0.0005379300000000, -0.0009983500000000, 0.0003792200000000 ] - [ -0.0001133000000000, 0.0034960700000000, -0.0025640100000000 ] - [ 0.0005399000000000, 0.0022684500000000, 0.0010574400000000 ] - [ -0.0004481000000000, -0.0009405800000000, -0.0003274100000000 ] - [ -0.0014323200000000, 0.0007662700000000, 0.0007296400000000 ] - [ -0.0000681700000000, -0.0011395200000000, -0.0005898100000000 ] - [ 0.0003507600000000, -0.0007198800000000, 0.0000560800000000 ] - [ 0.0217330200000000, 0.0030192600000000, -0.0048535700000000 ] - [ 0.0003537100000000, -0.0022096300000000, 0.0018188000000000 ] - [ -0.0000426600000000, -0.0011753200000000, 0.0002978900000000 ] - [ -0.0035918900000000, 0.0000549300000000, 0.0011111400000000 ] - [ 0.0000163800000000, -0.0006338400000000, -0.0004221000000000 ] - [ 0.0001502800000000, -0.0010016000000000, -0.0002823700000000 ] - [ 0.0002220300000000, 0.0001895500000000, 0.0003802500000000 ] - [ 0.0000750200000000, -0.0004067900000000, -0.0004385400000000 ] - [ 0.0015953500000000, 0.0002158600000000, -0.0010984300000000 ] - [ 0.0005773800000000, 0.0010224600000000, 0.0009783500000000 ] - [ -0.0002512600000000, -0.0017707400000000, -0.0000096300000000 ] - [ -0.0003645000000000, -0.0000595200000000, 0.0001963400000000 ] - [ -0.0005792400000000, -0.0000660900000000, 0.0000731500000000 ] - [ 0.0005519500000000, -0.0009564600000000, -0.0005378600000000 ] - [ 0.0001560700000000, -0.0009561400000000, -0.0004804900000000 ] - [ -0.0002383300000000, -0.0011144900000000, 0.0008058800000000 ] - [ -0.0000151900000000, -0.0011002100000000, -0.0009418500000000 ] - [ 0.0000775100000000, -0.0004745100000000, 0.0002726900000000 ] - [ 0.0041993300000000, -0.0008473000000000, -0.0008889400000000 ] - [ -0.0009886900000000, -0.0005982700000000, -0.0002151400000000 ] - [ -0.0000935500000000, -0.0008338000000000, -0.0000901000000000 ] - [ 0.0001983800000000, -0.0012649200000000, 0.0001996500000000 ] - [ -0.0000716600000000, -0.0006608400000000, -0.0000683000000000 ] - [ 0.0003419400000000, -0.0015488400000000, 0.0003992400000000 ] - [ 0.0000831500000000, -0.0005831000000000, -0.0004674500000000 ] - [ -0.0000916900000000, 0.0011108000000000, 0.0005056200000000 ] - [ -0.0004842600000000, -0.0007584300000000, -0.0002712800000000 ] - [ 0.0002166800000000, -0.0010844900000000, -0.0000254600000000 ] - [ 0.0229538500000000, -0.0171074300000000, 0.0263560400000000 ] - [ -0.0004159300000000, -0.0005491000000000, 0.0004669800000000 ] - [ -0.0001704800000000, -0.0010182800000000, -0.0000762300000000 ] - [ 0.0248135300000000, -0.0013567500000000, 0.0034974900000000 ] - [ -0.0001329200000000, -0.0019920400000000, 0.0003592900000000 ] - [ 0.0000407700000000, -0.0006764300000000, 0.0003426100000000 ] - [ 0.0002178900000000, 0.0019120600000000, 0.0009672900000000 ] - [ -0.0001596800000000, 0.0007862000000000, -0.0011725200000000 ] - [ -0.0001836400000000, -0.0010470300000000, 0.0003857300000000 ] - [ -0.0002158100000000, -0.0014453600000000, 0.0008091800000000 ] - [ -0.0004075100000000, -0.0014624500000000, 0.0009741600000000 ] - [ -0.0003840000000000, -0.0003444900000000, -0.0007267600000000 ] - [ -0.0000363500000000, 0.0002106600000000, -0.0006914500000000 ] - [ 0.0069467500000000, 0.0106210100000000, -0.0147252000000000 ] - [ -0.0000306100000000, -0.0010724700000000, -0.0000811900000000 ] - [ -0.0020569900000000, -0.0005708800000000, -0.0032678000000000 ] - [ -0.0000859000000000, -0.0005923400000000, 0.0006259000000000 ] - [ -0.0008176700000000, 0.0014330700000000, 0.0000268500000000 ] - [ 0.0000157000000000, -0.0005684300000000, 0.0003105800000000 ] - [ -0.0007919700000000, -0.0002069000000000, -0.0002268500000000 ] - [ 0.0028946000000000, 0.0034178300000000, 0.0023254400000000 ] - [ -0.0001399900000000, 0.0015163800000000, -0.0006154600000000 ] - [ 0.0003010100000000, -0.0014573900000000, -0.0004423400000000 ] - [ 0.0000429200000000, -0.0004208400000000, -0.0003951800000000 ] - [ -0.0004024200000000, -0.0004201400000000, 0.0002119300000000 ]- atom: 57 displacement: [ -0.0045139598196510, 0.0000000000000000, 0.0089232374588249 ] forces: - [ 0.0003048000000000, -0.0003086600000000, 0.0001003100000000 ] - [ 0.0027285000000000, 0.0001806600000000, 0.0029498300000000 ] - [ 0.0001548300000000, 0.0005551400000000, 0.0000672200000000 ] - [ 0.0003451200000000, -0.0000978000000000, -0.0002432900000000 ] - [ -0.0086731000000000, -0.0009196700000000, 0.0106959800000000 ] - [ -0.0001872600000000, 0.0002906300000000, -0.0000220800000000 ] - [ -0.0011314900000000, -0.0039988100000000, -0.0007823100000000 ] - [ -0.0007259800000000, 0.0005498100000000, -0.0003963000000000 ] - [ 0.0000725800000000, 0.0008998800000000, -0.0003178700000000 ] - [ 0.0005190400000000, -0.0044483100000000, -0.0010614200000000 ] - [ 0.0002628600000000, 0.0018104200000000, -0.0021995300000000 ] - [ -0.0002071800000000, 0.0003637900000000, 0.0000038800000000 ] - [ 0.0001955200000000, -0.0001592400000000, -0.0001239100000000 ] - [ -0.0052357400000000, -0.0000335400000000, 0.0017557400000000 ] - [ -0.0001916800000000, 0.0007960100000000, -0.0000209700000000 ] - [ -0.0034000400000000, 0.0014804400000000, -0.0029173400000000 ] - [ -0.0000227700000000, 0.0005662300000000, -0.0001343900000000 ] - [ 0.0117617500000000, -0.0060738000000000, 0.0056743200000000 ] - [ -0.0000077300000000, -0.0000327100000000, -0.0005624400000000 ] - [ -0.0000304400000000, 0.0000566400000000, -0.0014844600000000 ] - [ 0.0012068600000000, 0.0009124200000000, 0.0017282900000000 ] - [ -0.0001060300000000, 0.0002047900000000, -0.0001268500000000 ] - [ 0.0028815300000000, 0.0013587600000000, -0.0000549300000000 ] - [ -0.0000629800000000, -0.0001903300000000, 0.0002481700000000 ] - [ 0.0004656900000000, 0.0013489500000000, -0.0013941800000000 ] - [ 0.0006947000000000, -0.0001697300000000, -0.0006563300000000 ] - [ 0.0005562500000000, 0.0004291400000000, -0.0003054300000000 ] - [ 0.0009844200000000, -0.0008717600000000, -0.0030148700000000 ] - [ 0.0000948600000000, -0.0007283900000000, -0.0002037100000000 ] - [ -0.0005477800000000, 0.0068108000000000, -0.0042256800000000 ] - [ -0.0590921600000000, -0.0098664400000000, 0.0592653100000000 ] - [ -0.0001597900000000, -0.0005623900000000, -0.0000697900000000 ] - [ -0.0008491700000000, 0.0004447000000000, 0.0001663000000000 ] - [ 0.0003354700000000, -0.0000072200000000, 0.0001150700000000 ] - [ 0.0001218200000000, -0.0061647800000000, 0.0020941000000000 ] - [ -0.0002143700000000, 0.0000148300000000, 0.0004302400000000 ] - [ -0.0000280700000000, -0.0037738400000000, -0.0050884600000000 ] - [ 0.0001693400000000, -0.0003523400000000, 0.0000108900000000 ] - [ 0.0013185900000000, 0.0009144800000000, 0.0007743500000000 ] - [ 0.0010459100000000, 0.0002928600000000, 0.0002067300000000 ] - [ 0.0000026600000000, 0.0013476300000000, 0.0009550100000000 ] - [ 0.0006056300000000, -0.0020229800000000, 0.0011090500000000 ] - [ -0.0012216300000000, 0.0021999900000000, 0.0036279700000000 ] - [ 0.0002504900000000, 0.0001984100000000, 0.0004070600000000 ] - [ 0.0009686700000000, -0.0020172300000000, -0.0000742900000000 ] - [ 0.0016100000000000, 0.0012599600000000, 0.0015662400000000 ] - [ -0.0001141100000000, -0.0007001400000000, 0.0000002600000000 ] - [ -0.0001073500000000, -0.0004479100000000, -0.0007921000000000 ] - [ 0.0001140900000000, -0.0000591600000000, 0.0000037600000000 ] - [ -0.0046215400000000, 0.0110692600000000, -0.0145600400000000 ] - [ -0.0021036800000000, -0.0001140100000000, 0.0006484000000000 ] - [ -0.0003933200000000, 0.0003501700000000, 0.0002987300000000 ] - [ 0.0002716500000000, -0.0010006900000000, 0.0001654800000000 ] - [ -0.0001686200000000, 0.0002245700000000, 0.0004235800000000 ] - [ -0.0004886700000000, 0.0002398200000000, -0.0000719900000000 ] - [ -0.0461576000000000, 0.0026459900000000, 0.0464456900000000 ] - [ 0.2019028700000000, 0.0115068600000000, -0.1552889600000000 ] - [ -0.0001569100000000, -0.0004079400000000, 0.0001926600000000 ] - [ 0.0001554400000000, -0.0002982700000000, -0.0001214100000000 ] - [ 0.0015926700000000, -0.0010377000000000, 0.0006675400000000 ] - [ 0.0004243200000000, 0.0002748700000000, -0.0002371100000000 ] - [ 0.0022891800000000, -0.0000805700000000, -0.0004631500000000 ] - [ -0.0006464700000000, 0.0028400200000000, -0.0001182500000000 ] - [ -0.0002582700000000, -0.0002293900000000, -0.0006140700000000 ] - [ 0.0002307500000000, 0.0000676000000000, 0.0000930600000000 ] - [ 0.0000496100000000, -0.0053765400000000, -0.0005341200000000 ] - [ 0.0007298200000000, -0.0000084400000000, 0.0004994600000000 ] - [ 0.0001201100000000, 0.0002543500000000, 0.0004253300000000 ] - [ 0.0004072800000000, -0.0005434300000000, 0.0000789400000000 ] - [ 0.0002197100000000, 0.0030905500000000, -0.0005583000000000 ] - [ 0.0002028000000000, 0.0006593400000000, 0.0001964100000000 ] - [ -0.0198503100000000, -0.0173782700000000, 0.0012435100000000 ] - [ 0.0002668000000000, -0.0000991000000000, 0.0001354800000000 ] - [ 0.0002417800000000, -0.0041116000000000, 0.0018159500000000 ] - [ 0.0010272900000000, 0.0001171100000000, -0.0008333200000000 ] - [ 0.0004840700000000, 0.0011621300000000, -0.0009711400000000 ] - [ 0.0004076200000000, 0.0002094200000000, 0.0000644100000000 ] - [ 0.0019318800000000, 0.0043143000000000, 0.0056680200000000 ] - [ -0.0010957700000000, -0.0003174000000000, 0.0006540700000000 ] - [ -0.0002699600000000, 0.0001314400000000, 0.0000424400000000 ] - [ -0.0041699100000000, -0.0003663100000000, 0.0023346200000000 ] - [ -0.0001525200000000, -0.0003736400000000, -0.0000057000000000 ] - [ 0.0001994700000000, -0.0001289000000000, -0.0001433300000000 ] - [ -0.0460955500000000, 0.0204212500000000, -0.0094795800000000 ] - [ -0.0005644700000000, 0.0017279100000000, -0.0017256600000000 ] - [ -0.0001966600000000, -0.0004051800000000, -0.0001938400000000 ] - [ -0.0025547000000000, -0.0028220500000000, -0.0011910500000000 ] - [ -0.0002649200000000, 0.0002982900000000, -0.0000101600000000 ] - [ -0.0000042500000000, -0.0002211100000000, 0.0000668500000000 ] - [ -0.0006534300000000, -0.0002421000000000, 0.0009810500000000 ] - [ -0.0000039400000000, 0.0002867000000000, 0.0000437900000000 ] - [ -0.0036144200000000, 0.0028583300000000, 0.0023110200000000 ] - [ 0.0016259300000000, -0.0016333900000000, 0.0029319600000000 ] - [ -0.0001117300000000, -0.0006067100000000, -0.0002003000000000 ] - [ -0.0009244500000000, 0.0003446000000000, 0.0008880000000000 ] - [ -0.0008189300000000, 0.0003285000000000, 0.0008037300000000 ] - [ -0.0006555800000000, -0.0004963700000000, -0.0002552700000000 ] - [ -0.0008189200000000, -0.0007283700000000, -0.0003374900000000 ] - [ 0.0000830300000000, -0.0016207900000000, 0.0000475200000000 ] - [ -0.0002204200000000, 0.0010473400000000, 0.0001141500000000 ] - [ 0.0001600700000000, 0.0001466300000000, -0.0000190400000000 ] - [ 0.0014620200000000, 0.0025900300000000, -0.0038746400000000 ] - [ -0.0005567100000000, -0.0006945000000000, -0.0006590400000000 ] - [ -0.0005087900000000, 0.0000090800000000, 0.0001453900000000 ] - [ -0.0001966200000000, 0.0003278700000000, 0.0001164800000000 ] - [ -0.0002370900000000, -0.0007342700000000, -0.0006617900000000 ] - [ 0.0002078200000000, -0.0010072900000000, 0.0004871600000000 ] - [ -0.0001416800000000, 0.0014418000000000, 0.0015414200000000 ] - [ -0.0004363800000000, -0.0001730500000000, 0.0004592300000000 ] - [ -0.0003325500000000, 0.0008296800000000, 0.0002913700000000 ] - [ -0.0000082800000000, -0.0003899900000000, -0.0004346600000000 ] - [ 0.0210094100000000, -0.0190788000000000, 0.0059280800000000 ] - [ -0.0015706500000000, -0.0013993600000000, -0.0002234000000000 ] - [ -0.0001465900000000, -0.0004596000000000, 0.0003092900000000 ] - [ -0.0107341200000000, 0.0063822400000000, -0.0097725700000000 ] - [ -0.0002588800000000, -0.0008289000000000, 0.0000277100000000 ] - [ 0.0000470600000000, 0.0000951100000000, 0.0002551400000000 ] - [ 0.0000240100000000, 0.0003643600000000, 0.0010198000000000 ] - [ 0.0009721800000000, 0.0003901000000000, 0.0010967600000000 ] - [ -0.0000765700000000, -0.0004031900000000, 0.0000775000000000 ] - [ -0.0006556700000000, -0.0002692900000000, -0.0002659200000000 ] - [ -0.0005031400000000, -0.0006724200000000, 0.0000139500000000 ] - [ -0.0002502400000000, 0.0001907500000000, -0.0002344000000000 ] - [ -0.0001385000000000, 0.0009123800000000, 0.0006180600000000 ] - [ -0.0310292900000000, 0.0026058700000000, 0.0473938100000000 ] - [ 0.0000062600000000, -0.0002762200000000, -0.0001593700000000 ] - [ 0.0014294000000000, 0.0012704300000000, -0.0011704000000000 ] - [ 0.0000361400000000, 0.0003682900000000, -0.0002081400000000 ] - [ 0.0003379600000000, 0.0004433500000000, 0.0004793200000000 ] - [ -0.0001675500000000, 0.0000163000000000, 0.0001253200000000 ] - [ -0.0006085700000000, 0.0005561400000000, 0.0000988300000000 ] - [ -0.0048035300000000, -0.0002592200000000, -0.0024019600000000 ] - [ 0.0026744000000000, 0.0010891800000000, 0.0088696900000000 ] - [ 0.0005277900000000, -0.0006493800000000, -0.0000342800000000 ] - [ 0.0000972100000000, 0.0003013100000000, 0.0002049900000000 ] - [ 0.0000863800000000, -0.0001380600000000, 0.0005095200000000 ]- atom: 57 displacement: [ 0.0045139598196510, 0.0000000000000000, -0.0089232374588249 ] forces: - [ 0.0001696200000000, -0.0003525700000000, 0.0000044600000000 ] - [ -0.0022379100000000, -0.0008128700000000, -0.0028425500000000 ] - [ 0.0003234500000000, 0.0000921800000000, 0.0000385600000000 ] - [ 0.0001501300000000, 0.0007459100000000, 0.0003568400000000 ] - [ 0.0088901000000000, 0.0020521100000000, -0.0118943100000000 ] - [ -0.0002883700000000, 0.0003544300000000, -0.0000825900000000 ] - [ 0.0006414200000000, 0.0033313300000000, 0.0006791400000000 ] - [ 0.0002471300000000, -0.0012098100000000, 0.0002908500000000 ] - [ 0.0002819600000000, -0.0000275100000000, 0.0000842400000000 ] - [ -0.0001762400000000, 0.0053799100000000, 0.0008001400000000 ] - [ -0.0006030600000000, -0.0009362500000000, 0.0024540500000000 ] - [ -0.0001461500000000, 0.0005132500000000, 0.0002288100000000 ] - [ 0.0003741500000000, -0.0003511500000000, -0.0004001600000000 ] - [ 0.0059568300000000, -0.0005839200000000, -0.0022402700000000 ] - [ 0.0001344000000000, 0.0005491700000000, 0.0001146600000000 ] - [ 0.0033652000000000, -0.0001076400000000, 0.0030229900000000 ] - [ -0.0001754600000000, 0.0003150200000000, -0.0000795100000000 ] - [ -0.0118154600000000, 0.0069405800000000, -0.0058607000000000 ] - [ -0.0008009200000000, -0.0001912600000000, 0.0003392700000000 ] - [ -0.0007807100000000, -0.0002731400000000, 0.0012627000000000 ] - [ -0.0014406400000000, -0.0006707200000000, -0.0018883700000000 ] - [ -0.0001486900000000, 0.0000047400000000, -0.0000617800000000 ] - [ -0.0034477700000000, -0.0018757200000000, 0.0005480100000000 ] - [ -0.0005054700000000, -0.0003211200000000, 0.0002749200000000 ] - [ -0.0004043300000000, -0.0000087400000000, 0.0013049400000000 ] - [ -0.0006385100000000, 0.0015246500000000, 0.0005598200000000 ] - [ 0.0000102400000000, 0.0000712800000000, -0.0002245000000000 ] - [ -0.0004169600000000, 0.0013760200000000, 0.0024723100000000 ] - [ 0.0002572100000000, -0.0001667700000000, -0.0000316300000000 ] - [ 0.0008939000000000, -0.0076870000000000, 0.0040138900000000 ] - [ 0.0536495200000000, 0.0082999800000000, -0.0579645500000000 ] - [ 0.0002192800000000, -0.0007977000000000, -0.0000217500000000 ] - [ 0.0016510000000000, -0.0006580400000000, 0.0000727800000000 ] - [ 0.0004691000000000, -0.0002145600000000, 0.0001086400000000 ] - [ -0.0004874600000000, 0.0052527900000000, -0.0018533600000000 ] - [ -0.0001368700000000, -0.0009074600000000, -0.0001933200000000 ] - [ 0.0001928500000000, 0.0028826900000000, 0.0053099700000000 ] - [ 0.0000300700000000, -0.0005434900000000, 0.0002011000000000 ] - [ -0.0005104700000000, -0.0007012200000000, -0.0005587800000000 ] - [ -0.0002374100000000, -0.0000818000000000, 0.0000093300000000 ] - [ 0.0002499300000000, -0.0011391800000000, -0.0007791300000000 ] - [ -0.0003516600000000, 0.0022300300000000, -0.0009276600000000 ] - [ 0.0014317400000000, -0.0013014200000000, -0.0034269000000000 ] - [ -0.0000495000000000, 0.0006767900000000, -0.0001938900000000 ] - [ -0.0010250500000000, 0.0006541200000000, 0.0001649100000000 ] - [ -0.0016630400000000, -0.0026124800000000, -0.0014728800000000 ] - [ -0.0000855700000000, -0.0001939100000000, -0.0002108600000000 ] - [ -0.0001071500000000, -0.0004553600000000, 0.0006118400000000 ] - [ 0.0001394200000000, -0.0001656800000000, 0.0001834300000000 ] - [ 0.0048021400000000, -0.0111692200000000, 0.0147217600000000 ] - [ 0.0015213500000000, 0.0006295600000000, -0.0000980800000000 ] - [ -0.0001728400000000, 0.0001487200000000, 0.0002328800000000 ] - [ -0.0005219800000000, 0.0007744000000000, -0.0003502800000000 ] - [ -0.0000821800000000, -0.0004461700000000, -0.0006039300000000 ] - [ -0.0003130600000000, -0.0000287100000000, -0.0001466200000000 ] - [ 0.0440796700000000, -0.0014614800000000, -0.0473686800000000 ] - [ -0.1960033700000000, -0.0133620500000000, 0.1553010900000000 ] - [ -0.0004544700000000, -0.0002694700000000, 0.0002598700000000 ] - [ -0.0000123300000000, -0.0003934400000000, 0.0001882500000000 ] - [ -0.0014703100000000, 0.0003819200000000, -0.0006436400000000 ] - [ 0.0001846100000000, 0.0004100200000000, -0.0002173700000000 ] - [ -0.0016842100000000, 0.0007538800000000, 0.0000059500000000 ] - [ 0.0003360700000000, -0.0016327400000000, -0.0003483400000000 ] - [ -0.0000547600000000, 0.0014286600000000, 0.0001459700000000 ] - [ 0.0004268100000000, -0.0010794100000000, -0.0001517100000000 ] - [ 0.0006098000000000, 0.0043387300000000, 0.0004691000000000 ] - [ -0.0006113600000000, 0.0006442900000000, 0.0003210900000000 ] - [ -0.0000050000000000, 0.0003931400000000, 0.0004056500000000 ] - [ 0.0001073000000000, 0.0008560500000000, -0.0000158500000000 ] - [ 0.0003012000000000, -0.0027874300000000, 0.0006422200000000 ] - [ 0.0001111300000000, 0.0005450200000000, 0.0002702500000000 ] - [ 0.0200611300000000, 0.0184590900000000, -0.0008806300000000 ] - [ 0.0002496700000000, -0.0001984600000000, -0.0000716000000000 ] - [ 0.0002770900000000, 0.0037613700000000, -0.0017839600000000 ] - [ 0.0000971600000000, 0.0011118000000000, 0.0006542900000000 ] - [ 0.0006382100000000, 0.0000778600000000, 0.0007897900000000 ] - [ 0.0002476700000000, 0.0008219800000000, -0.0001278000000000 ] - [ -0.0012905400000000, -0.0033564200000000, -0.0057871700000000 ] - [ 0.0005691000000000, 0.0006083200000000, -0.0007323000000000 ] - [ -0.0002436500000000, 0.0001790600000000, -0.0001037300000000 ] - [ 0.0040709700000000, -0.0003220100000000, -0.0023882300000000 ] - [ 0.0000109900000000, -0.0003167900000000, -0.0000605600000000 ] - [ 0.0001699300000000, -0.0000098400000000, -0.0000912400000000 ] - [ 0.0467935700000000, -0.0206911800000000, 0.0094854800000000 ] - [ 0.0000507800000000, -0.0020166100000000, 0.0016513000000000 ] - [ -0.0003189200000000, 0.0001056900000000, 0.0001267900000000 ] - [ 0.0022858100000000, 0.0033731400000000, 0.0012293000000000 ] - [ -0.0000002000000000, 0.0002575000000000, 0.0000220300000000 ] - [ 0.0002694900000000, -0.0003239300000000, -0.0000743400000000 ] - [ 0.0009186800000000, -0.0003116400000000, -0.0009948400000000 ] - [ 0.0001475200000000, 0.0004128900000000, 0.0000283600000000 ] - [ 0.0037315300000000, -0.0021567700000000, -0.0022259100000000 ] - [ -0.0019657300000000, 0.0004308400000000, -0.0034193600000000 ] - [ -0.0002010400000000, -0.0005868200000000, -0.0002682700000000 ] - [ 0.0003165800000000, 0.0003439400000000, -0.0004336100000000 ] - [ 0.0002130400000000, 0.0003540100000000, -0.0003481000000000 ] - [ 0.0012655100000000, -0.0001819200000000, -0.0001978600000000 ] - [ 0.0014256500000000, 0.0000493300000000, -0.0001148900000000 ] - [ -0.0001316200000000, 0.0019931100000000, -0.0004472100000000 ] - [ 0.0001746100000000, -0.0006851100000000, -0.0005139900000000 ] - [ 0.0001050600000000, 0.0004067000000000, 0.0000081600000000 ] - [ -0.0012498100000000, -0.0020261500000000, 0.0038712700000000 ] - [ 0.0001815200000000, 0.0005526100000000, 0.0008962600000000 ] - [ 0.0001357500000000, -0.0001445500000000, 0.0000907900000000 ] - [ 0.0002423000000000, -0.0006786400000000, 0.0002884200000000 ] - [ 0.0002830500000000, 0.0003761800000000, 0.0010649300000000 ] - [ 0.0001044400000000, -0.0001814300000000, -0.0000180300000000 ] - [ 0.0004559200000000, -0.0026525700000000, -0.0010717600000000 ] - [ -0.0002223800000000, 0.0012004600000000, -0.0004016900000000 ] - [ -0.0003234100000000, 0.0001967200000000, -0.0002296900000000 ] - [ -0.0001126900000000, -0.0002488600000000, -0.0004002700000000 ] - [ -0.0211350500000000, 0.0184614400000000, -0.0068934400000000 ] - [ 0.0016905200000000, 0.0007628100000000, 0.0010624200000000 ] - [ 0.0002662300000000, -0.0001793600000000, 0.0005270200000000 ] - [ 0.0099966700000000, -0.0073673100000000, 0.0097278900000000 ] - [ -0.0003980300000000, -0.0001852300000000, 0.0000303400000000 ] - [ -0.0000000400000000, 0.0002665000000000, 0.0001497500000000 ] - [ 0.0000118500000000, -0.0000186200000000, -0.0006325300000000 ] - [ -0.0012189800000000, -0.0009370200000000, -0.0010986200000000 ] - [ -0.0001860000000000, -0.0001423400000000, -0.0000705800000000 ] - [ -0.0004688600000000, -0.0009572000000000, 0.0004451900000000 ] - [ -0.0006211900000000, -0.0005498700000000, 0.0001595100000000 ] - [ 0.0001355900000000, 0.0004572700000000, -0.0005961900000000 ] - [ 0.0000210400000000, -0.0002690200000000, -0.0014462600000000 ] - [ 0.0302226300000000, -0.0027569300000000, -0.0468420500000000 ] - [ -0.0000525300000000, -0.0000762900000000, -0.0002475600000000 ] - [ -0.0015705400000000, -0.0005882500000000, 0.0010908300000000 ] - [ -0.0001768800000000, 0.0003333300000000, 0.0001338500000000 ] - [ -0.0006925000000000, -0.0003079500000000, -0.0002489500000000 ] - [ -0.0002030100000000, 0.0001292800000000, 0.0001077100000000 ] - [ -0.0005122800000000, 0.0006791800000000, 0.0000877100000000 ] - [ 0.0036526000000000, 0.0014679900000000, 0.0025656800000000 ] - [ -0.0015042100000000, -0.0023299800000000, -0.0090184700000000 ] - [ 0.0005966200000000, -0.0005765300000000, -0.0001492400000000 ] - [ 0.0002776700000000, -0.0001566600000000, -0.0004394200000000 ] - [ 0.0002938900000000, 0.0002850500000000, -0.0007474100000000 ]- atom: 59 displacement: [ 0.0099999786541794, 0.0000000000000000, -0.0000206619446251 ] forces: - [ 0.0014266100000000, 0.0005532600000000, 0.0005482300000000 ] - [ 0.0002527500000000, -0.0002797000000000, 0.0001039000000000 ] - [ 0.0221637000000000, -0.0023263400000000, -0.0048354300000000 ] - [ 0.0003048100000000, 0.0002860800000000, 0.0000917100000000 ] - [ -0.0004309300000000, 0.0002772400000000, -0.0000387300000000 ] - [ -0.0005001500000000, 0.0004956400000000, -0.0006977600000000 ] - [ -0.0019396400000000, -0.0029603500000000, -0.0029055000000000 ] - [ -0.0003344700000000, 0.0000248600000000, 0.0000030600000000 ] - [ -0.0008373700000000, -0.0004323900000000, -0.0025474000000000 ] - [ 0.0001472100000000, 0.0005084900000000, -0.0001911200000000 ] - [ -0.0000307500000000, 0.0020009000000000, 0.0001966400000000 ] - [ -0.0003575200000000, -0.0003544200000000, -0.0002682700000000 ] - [ 0.0531308600000000, -0.0016888200000000, -0.0024233100000000 ] - [ 0.0003769700000000, -0.0002658200000000, -0.0002877800000000 ] - [ -0.0010694600000000, -0.0008943600000000, -0.0023620900000000 ] - [ 0.0001409200000000, 0.0009867300000000, -0.0000637800000000 ] - [ -0.0009532500000000, -0.0063341100000000, 0.0073702900000000 ] - [ 0.0000168200000000, 0.0005776400000000, -0.0000008600000000 ] - [ -0.0107723600000000, 0.0027223400000000, 0.0051335000000000 ] - [ -0.0004615400000000, -0.0000947800000000, -0.0000790600000000 ] - [ 0.0000433700000000, 0.0006562700000000, 0.0000139800000000 ] - [ -0.0002862500000000, -0.0023714100000000, 0.0014769800000000 ] - [ 0.0002996400000000, 0.0002663500000000, 0.0013586900000000 ] - [ -0.0001011800000000, -0.0001869100000000, 0.0005986600000000 ] - [ -0.0049979000000000, 0.0019841500000000, -0.0001857200000000 ] - [ -0.0002397900000000, 0.0005157700000000, -0.0002583400000000 ] - [ -0.0038398800000000, 0.0030262000000000, 0.0050052900000000 ] - [ 0.0002888100000000, 0.0002643200000000, -0.0001933800000000 ] - [ -0.0014965700000000, -0.0011005400000000, -0.0013180600000000 ] - [ 0.0001527300000000, -0.0004369200000000, -0.0001775500000000 ] - [ -0.0000670300000000, -0.0006547200000000, -0.0003510800000000 ] - [ -0.0015331600000000, -0.0002950400000000, -0.0003436700000000 ] - [ 0.0006779300000000, -0.0002071900000000, 0.0002052400000000 ] - [ 0.0030587100000000, -0.0012471000000000, 0.0001213500000000 ] - [ -0.0002403300000000, -0.0002898600000000, -0.0001950600000000 ] - [ -0.0003283900000000, -0.0000354100000000, -0.0000682400000000 ] - [ -0.0000189600000000, -0.0011169900000000, 0.0008341600000000 ] - [ 0.0006218700000000, 0.0004147900000000, 0.0006397900000000 ] - [ 0.0000232300000000, 0.0018100400000000, 0.0026787200000000 ] - [ 0.0004260100000000, 0.0000180100000000, 0.0002469300000000 ] - [ -0.0004866900000000, 0.0004693300000000, -0.0003446700000000 ] - [ 0.0001026900000000, 0.0001609500000000, -0.0000060300000000 ] - [ 0.0038453300000000, 0.0012340700000000, 0.0004282600000000 ] - [ 0.0003075000000000, 0.0006219900000000, 0.0000626900000000 ] - [ -0.0034563800000000, -0.0011939200000000, 0.0003248600000000 ] - [ -0.0001470800000000, -0.0005856500000000, 0.0000583500000000 ] - [ 0.0621180900000000, 0.0144800500000000, -0.0273551300000000 ] - [ -0.0000337900000000, -0.0004082600000000, -0.0001082000000000 ] - [ -0.0009168700000000, 0.0011938700000000, 0.0003395900000000 ] - [ 0.0000401600000000, -0.0003057200000000, 0.0000604600000000 ] - [ 0.0009889800000000, -0.0002110800000000, -0.0000466800000000 ] - [ 0.0004864300000000, 0.0002645900000000, 0.0004568800000000 ] - [ -0.0008558300000000, -0.0003158900000000, -0.0009785200000000 ] - [ -0.0001194100000000, -0.0000670700000000, -0.0001136000000000 ] - [ 0.0027409800000000, 0.0018314700000000, -0.0070797200000000 ] - [ -0.0003244700000000, 0.0000917800000000, -0.0001864900000000 ] - [ -0.0003287500000000, -0.0003181900000000, 0.0003029200000000 ] - [ 0.0008842600000000, -0.0019888200000000, 0.0025424200000000 ] - [ -0.1709214900000000, -0.0195315700000000, 0.0803679600000000 ] - [ 0.0000283800000000, -0.0003641800000000, 0.0000603400000000 ] - [ -0.0007006300000000, 0.0023260600000000, 0.0009579000000000 ] - [ 0.0000776500000000, 0.0003489300000000, -0.0002159600000000 ] - [ 0.0008296900000000, 0.0004141800000000, 0.0001433500000000 ] - [ -0.0000464000000000, 0.0004214400000000, -0.0002411000000000 ] - [ 0.0018665800000000, 0.0002956400000000, 0.0008506300000000 ] - [ 0.0003638500000000, -0.0005420000000000, -0.0000194200000000 ] - [ -0.0004876500000000, 0.0005012600000000, 0.0002685100000000 ] - [ -0.0007228200000000, 0.0007576500000000, 0.0000964100000000 ] - [ 0.0007688000000000, -0.0001585600000000, 0.0013708400000000 ] - [ 0.0002752100000000, 0.0000998200000000, 0.0000959900000000 ] - [ 0.0007067400000000, 0.0006241000000000, 0.0007001100000000 ] - [ 0.0001875300000000, 0.0005903200000000, 0.0003118000000000 ] - [ 0.0015568400000000, -0.0006127600000000, 0.0004803400000000 ] - [ 0.0002972600000000, -0.0000485400000000, 0.0000704900000000 ] - [ -0.0003592000000000, 0.0009996900000000, 0.0006741200000000 ] - [ 0.0005359600000000, 0.0005468200000000, -0.0000168100000000 ] - [ 0.0009736900000000, 0.0007860600000000, 0.0009275700000000 ] - [ 0.0003583000000000, 0.0003813600000000, 0.0000549300000000 ] - [ -0.0003287400000000, -0.0005159700000000, -0.0002195600000000 ] - [ -0.0000440000000000, 0.0014978300000000, 0.0001263000000000 ] - [ -0.0001309400000000, -0.0004039600000000, -0.0007426300000000 ] - [ -0.0001304400000000, -0.0006278600000000, -0.0004119800000000 ] - [ -0.0035739400000000, 0.0012687600000000, 0.0005152500000000 ] - [ 0.0001173100000000, -0.0000943100000000, -0.0001173700000000 ] - [ 0.0001035100000000, -0.0004156500000000, 0.0002475900000000 ] - [ -0.0002639700000000, -0.0002462500000000, 0.0001221500000000 ] - [ -0.0007987200000000, -0.0001347600000000, -0.0004778900000000 ] - [ -0.0002428300000000, 0.0002065700000000, -0.0000468600000000 ] - [ 0.0055179200000000, -0.0027455900000000, -0.0213474200000000 ] - [ 0.0001270600000000, -0.0002751600000000, -0.0000298200000000 ] - [ 0.0019621500000000, -0.0017116600000000, -0.0068696000000000 ] - [ 0.0000721600000000, 0.0003025200000000, -0.0000514800000000 ] - [ -0.0002026800000000, -0.0013052100000000, 0.0001071600000000 ] - [ 0.0002985400000000, 0.0002168600000000, 0.0002942800000000 ] - [ 0.0072187900000000, 0.0018533200000000, -0.0000860600000000 ] - [ -0.0001542400000000, 0.0003358800000000, 0.0002133700000000 ] - [ 0.0029099100000000, -0.0017052900000000, -0.0035484200000000 ] - [ 0.0003631900000000, -0.0003311600000000, -0.0002835600000000 ] - [ 0.0008743300000000, 0.0000405200000000, 0.0000998000000000 ] - [ 0.0000255900000000, 0.0001819100000000, -0.0000747000000000 ] - [ 0.0046105600000000, 0.0190372100000000, -0.0363879100000000 ] - [ 0.0000599700000000, 0.0002381000000000, 0.0000097900000000 ] - [ -0.0012019400000000, -0.0025834900000000, -0.0026988600000000 ] - [ -0.0003060600000000, -0.0000763000000000, 0.0000555400000000 ] - [ 0.0003421300000000, 0.0004301900000000, -0.0002414300000000 ] - [ 0.0000462400000000, -0.0002040000000000, 0.0002133400000000 ] - [ 0.0034066300000000, -0.0009043800000000, 0.0031818200000000 ] - [ 0.0001982300000000, -0.0005701600000000, 0.0002817700000000 ] - [ 0.0017476700000000, -0.0014065300000000, 0.0011513200000000 ] - [ -0.0001939700000000, 0.0010444500000000, 0.0002127100000000 ] - [ 0.0007488900000000, -0.0219540900000000, 0.0244340000000000 ] - [ -0.0001079000000000, -0.0002960400000000, -0.0003865400000000 ] - [ -0.0002922200000000, -0.0013170300000000, -0.0012777800000000 ] - [ -0.0000398300000000, -0.0003602000000000, 0.0002733100000000 ] - [ -0.0002775200000000, -0.0006963400000000, 0.0001631300000000 ] - [ 0.0001509900000000, -0.0009869600000000, 0.0003977900000000 ] - [ 0.0013257100000000, 0.0031198200000000, -0.0000362600000000 ] - [ -0.0000245500000000, -0.0000463700000000, 0.0002873900000000 ] - [ -0.0006674000000000, 0.0008612100000000, 0.0000028600000000 ] - [ -0.0005326500000000, -0.0005073800000000, 0.0000880000000000 ] - [ -0.0101819200000000, -0.0048367600000000, 0.0058614400000000 ] - [ -0.0005961800000000, -0.0006344100000000, 0.0001158700000000 ] - [ 0.0018402900000000, -0.0013333800000000, -0.0035754500000000 ] - [ -0.0000618800000000, 0.0003080200000000, -0.0004432100000000 ] - [ 0.0000658400000000, 0.0000474600000000, -0.0000634000000000 ] - [ 0.0004355000000000, -0.0007552500000000, -0.0000213700000000 ] - [ -0.0012310200000000, 0.0005632500000000, 0.0006478900000000 ] - [ -0.0002895400000000, 0.0002359800000000, -0.0000752400000000 ] - [ -0.0004306100000000, 0.0002336700000000, -0.0000470400000000 ] - [ -0.0013228200000000, -0.0003447700000000, 0.0002309100000000 ] - [ 0.0000444600000000, 0.0019407300000000, -0.0014094800000000 ] - [ -0.0006582500000000, 0.0004090400000000, -0.0000869600000000 ] - [ 0.0006976100000000, -0.0004151400000000, -0.0001380300000000 ] - [ 0.0006989500000000, -0.0014788600000000, -0.0005467700000000 ] - [ 0.0349425800000000, 0.0212199300000000, -0.0195624800000000 ] - [ 0.0001845600000000, 0.0000223200000000, -0.0001595000000000 ]- atom: 59 displacement: [ -0.0099999786541794, 0.0000000000000000, 0.0000206619446251 ] forces: - [ -0.0009497800000000, -0.0012189400000000, -0.0004482800000000 ] - [ 0.0002197000000000, -0.0003676600000000, -0.0000007100000000 ] - [ -0.0201015200000000, 0.0024897200000000, 0.0046547000000000 ] - [ 0.0001674900000000, 0.0003737700000000, 0.0000130200000000 ] - [ -0.0000429500000000, 0.0003811000000000, -0.0000684200000000 ] - [ 0.0000234600000000, 0.0001627700000000, 0.0005795100000000 ] - [ 0.0014607700000000, 0.0023117100000000, 0.0028210300000000 ] - [ -0.0001411800000000, -0.0006715600000000, -0.0001055700000000 ] - [ 0.0011841400000000, 0.0012862400000000, 0.0022824900000000 ] - [ 0.0002030100000000, 0.0003850500000000, -0.0000430600000000 ] - [ -0.0003164600000000, -0.0010889000000000, 0.0000424100000000 ] - [ 0.0000064900000000, 0.0012410500000000, 0.0005063300000000 ] - [ -0.0516476300000000, 0.0000938600000000, 0.0034615700000000 ] - [ 0.0001883300000000, -0.0002367400000000, -0.0002382300000000 ] - [ 0.0010130100000000, 0.0022293200000000, 0.0024493700000000 ] - [ -0.0001999100000000, 0.0003737800000000, 0.0001551900000000 ] - [ 0.0007939700000000, 0.0072793900000000, -0.0076909700000000 ] - [ -0.0002128400000000, 0.0003153500000000, -0.0002119500000000 ] - [ 0.0099832400000000, -0.0029770800000000, -0.0053828400000000 ] - [ -0.0003419500000000, -0.0001167300000000, -0.0001381100000000 ] - [ -0.0002945300000000, -0.0004299600000000, -0.0002034900000000 ] - [ 0.0000461000000000, 0.0025877900000000, -0.0016319000000000 ] - [ -0.0008628900000000, -0.0007706300000000, -0.0008384400000000 ] - [ -0.0004632800000000, -0.0003145400000000, -0.0000747800000000 ] - [ 0.0050505100000000, -0.0006250000000000, 0.0000665400000000 ] - [ 0.0002978400000000, 0.0008401800000000, 0.0001652900000000 ] - [ 0.0043789900000000, -0.0025365600000000, -0.0055536300000000 ] - [ 0.0002792300000000, 0.0002473100000000, -0.0003278000000000 ] - [ 0.0018326300000000, 0.0001889200000000, 0.0010914300000000 ] - [ 0.0001993300000000, -0.0004391400000000, -0.0000549300000000 ] - [ 0.0001240100000000, -0.0006908500000000, 0.0002587700000000 ] - [ 0.0015640600000000, -0.0010582300000000, 0.0002545700000000 ] - [ 0.0001236200000000, -0.0000055400000000, 0.0000142300000000 ] - [ -0.0022462500000000, 0.0010301900000000, 0.0001080300000000 ] - [ -0.0001129600000000, -0.0005891600000000, 0.0004307500000000 ] - [ -0.0000246300000000, -0.0008413300000000, 0.0003017400000000 ] - [ 0.0002150500000000, 0.0002368200000000, -0.0006211500000000 ] - [ -0.0004272000000000, -0.0013020100000000, -0.0004261700000000 ] - [ 0.0008102400000000, -0.0015823000000000, -0.0024504900000000 ] - [ 0.0003781500000000, 0.0002017600000000, -0.0000246000000000 ] - [ 0.0007341700000000, -0.0002597300000000, 0.0005122300000000 ] - [ 0.0001482400000000, 0.0000621200000000, 0.0001962100000000 ] - [ -0.0036379600000000, -0.0003649100000000, -0.0002172100000000 ] - [ -0.0001110500000000, 0.0002735300000000, 0.0001508500000000 ] - [ 0.0033751800000000, -0.0001632300000000, -0.0002281800000000 ] - [ 0.0000886500000000, -0.0007596900000000, 0.0000354600000000 ] - [ -0.0623693200000000, -0.0165493700000000, 0.0292760500000000 ] - [ -0.0001633400000000, -0.0004725800000000, -0.0001052500000000 ] - [ 0.0011558900000000, -0.0014222000000000, -0.0001383600000000 ] - [ 0.0002127800000000, 0.0000963100000000, 0.0001317900000000 ] - [ -0.0015611400000000, 0.0007157800000000, 0.0005797600000000 ] - [ -0.0010565900000000, 0.0002496100000000, 0.0000693400000000 ] - [ 0.0006149600000000, 0.0000966700000000, 0.0007911300000000 ] - [ -0.0001347500000000, -0.0001436100000000, -0.0000781000000000 ] - [ -0.0035283500000000, -0.0015386100000000, 0.0067523900000000 ] - [ -0.0004789800000000, 0.0001272200000000, -0.0000354000000000 ] - [ -0.0002897500000000, -0.0003610400000000, 0.0001471500000000 ] - [ -0.0014792100000000, 0.0012850100000000, -0.0020722400000000 ] - [ 0.1690920900000000, 0.0219379700000000, -0.0837048600000000 ] - [ 0.0001209300000000, -0.0003353900000000, 0.0000149200000000 ] - [ 0.0013090000000000, -0.0016370900000000, -0.0014052400000000 ] - [ 0.0005402500000000, 0.0003255200000000, -0.0002320800000000 ] - [ -0.0011339500000000, 0.0007754500000000, -0.0006102100000000 ] - [ -0.0002608100000000, 0.0007653200000000, -0.0002237800000000 ] - [ -0.0012005600000000, -0.0013007100000000, -0.0009105900000000 ] - [ 0.0002914400000000, -0.0004864600000000, -0.0000440200000000 ] - [ 0.0006179100000000, 0.0001399300000000, 0.0005621400000000 ] - [ 0.0008501600000000, -0.0001182900000000, 0.0007294900000000 ] - [ -0.0002593800000000, 0.0004702500000000, -0.0012895800000000 ] - [ 0.0002314600000000, 0.0001990800000000, -0.0000328200000000 ] - [ -0.0003908700000000, 0.0005828100000000, -0.0002395100000000 ] - [ 0.0001193300000000, 0.0005981200000000, 0.0001541300000000 ] - [ -0.0010409900000000, 0.0003215300000000, -0.0004222200000000 ] - [ 0.0002073400000000, -0.0002609200000000, -0.0000112400000000 ] - [ 0.0014727400000000, 0.0002439100000000, -0.0008510800000000 ] - [ 0.0005758100000000, 0.0006810300000000, -0.0001712900000000 ] - [ -0.0003167600000000, 0.0002539300000000, -0.0009848000000000 ] - [ 0.0002995600000000, 0.0006325400000000, -0.0001136400000000 ] - [ -0.0001811900000000, 0.0008096500000000, 0.0001534200000000 ] - [ -0.0004647500000000, -0.0011940600000000, -0.0001939600000000 ] - [ -0.0000204500000000, -0.0002951600000000, 0.0006714700000000 ] - [ -0.0000212400000000, -0.0000705100000000, 0.0003407900000000 ] - [ 0.0039270300000000, -0.0014220400000000, -0.0007221700000000 ] - [ 0.0002470500000000, -0.0000467000000000, -0.0001203200000000 ] - [ -0.0006091100000000, 0.0001081100000000, -0.0003039700000000 ] - [ -0.0002421600000000, -0.0000618900000000, -0.0001804800000000 ] - [ 0.0005217700000000, 0.0006839800000000, 0.0004876300000000 ] - [ -0.0000299700000000, 0.0003342900000000, 0.0000532000000000 ] - [ -0.0051635300000000, 0.0022115900000000, 0.0214537800000000 ] - [ 0.0001439100000000, -0.0002757700000000, 0.0000213400000000 ] - [ -0.0018218500000000, 0.0024221100000000, 0.0069693200000000 ] - [ 0.0000785300000000, 0.0003891800000000, 0.0001207000000000 ] - [ -0.0001068400000000, 0.0000979100000000, -0.0005674100000000 ] - [ -0.0006047900000000, -0.0014051500000000, -0.0007569000000000 ] - [ -0.0078719400000000, -0.0011777400000000, 0.0005363700000000 ] - [ -0.0004654200000000, 0.0003383600000000, 0.0002352900000000 ] - [ -0.0022832600000000, 0.0010164400000000, 0.0030592700000000 ] - [ 0.0002535900000000, -0.0003496500000000, -0.0001666900000000 ] - [ -0.0009307300000000, 0.0003173600000000, -0.0004864500000000 ] - [ -0.0000823600000000, 0.0001683100000000, -0.0003321700000000 ] - [ -0.0044328700000000, -0.0184377800000000, 0.0360842200000000 ] - [ 0.0002107000000000, 0.0003061200000000, -0.0000158700000000 ] - [ 0.0008020400000000, 0.0024448300000000, 0.0029326000000000 ] - [ -0.0000630000000000, -0.0000670800000000, 0.0001812000000000 ] - [ -0.0002822900000000, -0.0007797400000000, 0.0006437200000000 ] - [ 0.0000099000000000, -0.0001549100000000, 0.0001938800000000 ] - [ -0.0030862700000000, -0.0002722000000000, -0.0026808100000000 ] - [ 0.0001102900000000, -0.0006308100000000, 0.0001826900000000 ] - [ -0.0024014400000000, 0.0023992800000000, -0.0010818400000000 ] - [ -0.0004644000000000, -0.0000265300000000, -0.0001524100000000 ] - [ -0.0007838500000000, 0.0213803000000000, -0.0252498800000000 ] - [ -0.0000225900000000, -0.0003494600000000, -0.0004420100000000 ] - [ 0.0004168900000000, 0.0006690700000000, 0.0021070200000000 ] - [ 0.0001665900000000, -0.0002867600000000, 0.0005565100000000 ] - [ -0.0003792700000000, -0.0003303300000000, -0.0001004700000000 ] - [ -0.0008030000000000, -0.0000383100000000, -0.0003338400000000 ] - [ -0.0012644500000000, -0.0027370100000000, 0.0004238900000000 ] - [ 0.0000805800000000, 0.0003963200000000, 0.0001221400000000 ] - [ 0.0003996100000000, -0.0014153500000000, 0.0000018900000000 ] - [ 0.0002620400000000, -0.0000415600000000, -0.0000818900000000 ] - [ 0.0090945300000000, 0.0035790100000000, -0.0056996600000000 ] - [ -0.0005146800000000, -0.0006014100000000, 0.0000771600000000 ] - [ -0.0019597500000000, 0.0019989500000000, 0.0027753100000000 ] - [ -0.0000704000000000, 0.0003309600000000, -0.0003898100000000 ] - [ -0.0001225000000000, -0.0004057000000000, -0.0003433600000000 ] - [ -0.0004847400000000, 0.0004018800000000, -0.0003925700000000 ] - [ 0.0010831500000000, 0.0001384300000000, -0.0007253900000000 ] - [ 0.0001386000000000, 0.0004547200000000, 0.0000037800000000 ] - [ 0.0000657800000000, -0.0000966800000000, 0.0002860400000000 ] - [ 0.0009522500000000, 0.0004858800000000, 0.0000052800000000 ] - [ -0.0011811900000000, -0.0007366800000000, 0.0015956400000000 ] - [ -0.0004549300000000, 0.0008190800000000, 0.0002750600000000 ] - [ 0.0004121600000000, -0.0008204900000000, -0.0000549600000000 ] - [ 0.0004140300000000, 0.0002498100000000, 0.0003554700000000 ] - [ -0.0351031400000000, -0.0215923700000000, 0.0196451900000000 ] - [ 0.0001817600000000, 0.0001148000000000, -0.0000788000000000 ]- atom: 59 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000128600000000, 0.0025864500000000, 0.0000615100000000 ] - [ 0.0000365100000000, -0.0020016000000000, 0.0002135800000000 ] - [ -0.0054301100000000, 0.0103906500000000, -0.0021976400000000 ] - [ 0.0003863900000000, -0.0012530100000000, -0.0000432800000000 ] - [ -0.0004528700000000, -0.0006009200000000, -0.0000121700000000 ] - [ -0.0000619300000000, -0.0007021900000000, 0.0014995500000000 ] - [ -0.0021846700000000, -0.0010903100000000, -0.0019543200000000 ] - [ 0.0001928200000000, -0.0018679900000000, -0.0001415900000000 ] - [ 0.0000902400000000, 0.0047440300000000, 0.0009223500000000 ] - [ 0.0003966400000000, -0.0015239300000000, 0.0000784600000000 ] - [ 0.0000876000000000, -0.0008175800000000, -0.0000047600000000 ] - [ -0.0005394400000000, -0.0012672900000000, -0.0004236300000000 ] - [ -0.0079311400000000, 0.1114660600000000, -0.1180877800000000 ] - [ 0.0006710300000000, -0.0014272400000000, 0.0002484000000000 ] - [ -0.0021421900000000, 0.0010138400000000, -0.0014082000000000 ] - [ 0.0005076500000000, -0.0006647800000000, 0.0002069000000000 ] - [ -0.0054324700000000, -0.0054779700000000, 0.0070275500000000 ] - [ -0.0001313800000000, -0.0009622800000000, -0.0002272500000000 ] - [ -0.0063202400000000, 0.0037642700000000, 0.0050804300000000 ] - [ -0.0006183800000000, -0.0011362500000000, -0.0005441500000000 ] - [ -0.0002189900000000, -0.0012314100000000, -0.0002554700000000 ] - [ -0.0013458500000000, -0.0017407100000000, -0.0013491100000000 ] - [ -0.0008636200000000, -0.0009178000000000, 0.0001609600000000 ] - [ -0.0008978900000000, -0.0013693700000000, 0.0000924100000000 ] - [ -0.0011115300000000, 0.0022829000000000, 0.0011453600000000 ] - [ -0.0001425100000000, -0.0007707000000000, -0.0001888800000000 ] - [ 0.0015793800000000, 0.0044989800000000, 0.0050178100000000 ] - [ -0.0001089400000000, -0.0008830700000000, -0.0007787100000000 ] - [ 0.0018673800000000, 0.0044769200000000, 0.0000661100000000 ] - [ -0.0000477000000000, -0.0024514400000000, -0.0002797900000000 ] - [ 0.0003724600000000, -0.0022055300000000, 0.0002247800000000 ] - [ 0.0036367000000000, -0.0001111000000000, -0.0004136600000000 ] - [ 0.0007852400000000, -0.0017217800000000, 0.0009023100000000 ] - [ 0.0007175900000000, -0.0019929900000000, -0.0016847200000000 ] - [ 0.0002654100000000, -0.0020752300000000, 0.0029014900000000 ] - [ -0.0000293700000000, -0.0019963900000000, 0.0001852600000000 ] - [ -0.0005231000000000, -0.0022548900000000, 0.0006431500000000 ] - [ 0.0007213400000000, -0.0009628200000000, 0.0000018200000000 ] - [ 0.0019975800000000, 0.0017525500000000, 0.0001495600000000 ] - [ 0.0000092800000000, -0.0009646900000000, -0.0003253000000000 ] - [ -0.0003399200000000, 0.0035440500000000, -0.0002476000000000 ] - [ 0.0004030700000000, -0.0015002300000000, 0.0003512400000000 ] - [ -0.0004712000000000, 0.0004210200000000, -0.0030690400000000 ] - [ -0.0000018300000000, -0.0013369900000000, 0.0003601800000000 ] - [ 0.0006554600000000, 0.0006248700000000, 0.0028495400000000 ] - [ -0.0003015800000000, -0.0021152800000000, -0.0001807300000000 ] - [ 0.0165689200000000, 0.0555148200000000, -0.0261420700000000 ] - [ -0.0000796000000000, -0.0019775100000000, 0.0000009700000000 ] - [ 0.0021905600000000, 0.0011493000000000, -0.0006250400000000 ] - [ -0.0001850900000000, -0.0017264200000000, -0.0001451500000000 ] - [ -0.0002110600000000, -0.0024005000000000, 0.0006012300000000 ] - [ 0.0007821200000000, -0.0016378200000000, 0.0005233300000000 ] - [ 0.0044802100000000, -0.0000269300000000, 0.0109199900000000 ] - [ 0.0000651300000000, -0.0015971500000000, -0.0000230400000000 ] - [ -0.0019547400000000, -0.0079288900000000, 0.0097815800000000 ] - [ -0.0001183900000000, -0.0009194100000000, 0.0001956500000000 ] - [ -0.0006725100000000, 0.0004114000000000, 0.0000941300000000 ] - [ -0.0038314900000000, 0.0031503200000000, -0.0023534500000000 ] - [ -0.0194806600000000, -0.2100358700000000, 0.2433671400000000 ] - [ 0.0000597400000000, 0.0005589400000000, -0.0005000300000000 ] - [ 0.0014887200000000, 0.0012681700000000, 0.0014187700000000 ] - [ -0.0002830400000000, 0.0012793800000000, -0.0005040900000000 ] - [ -0.0001484400000000, 0.0000880900000000, -0.0012767100000000 ] - [ -0.0002473800000000, 0.0017393400000000, -0.0000206300000000 ] - [ -0.0003206700000000, -0.0040155900000000, -0.0011303100000000 ] - [ 0.0005530700000000, 0.0011411800000000, 0.0003363800000000 ] - [ -0.0004511800000000, 0.0016984800000000, -0.0001981400000000 ] - [ -0.0003311700000000, 0.0016142700000000, 0.0007768200000000 ] - [ 0.0004143500000000, -0.0025098300000000, -0.0002392600000000 ] - [ -0.0000104700000000, 0.0014377200000000, -0.0003668400000000 ] - [ -0.0009863800000000, -0.0016492000000000, 0.0006370900000000 ] - [ 0.0002323700000000, 0.0019751000000000, -0.0000514300000000 ] - [ -0.0009922400000000, -0.0025209900000000, -0.0001814800000000 ] - [ 0.0005071800000000, 0.0011340400000000, 0.0004166200000000 ] - [ 0.0011021500000000, -0.0012154700000000, 0.0017556500000000 ] - [ 0.0002370200000000, 0.0016555800000000, -0.0005576600000000 ] - [ 0.0009021200000000, -0.0022235400000000, 0.0004437600000000 ] - [ 0.0000379100000000, 0.0020945700000000, -0.0004109400000000 ] - [ -0.0001956000000000, 0.0010449600000000, 0.0002242100000000 ] - [ 0.0001133400000000, 0.0014305700000000, 0.0006707900000000 ] - [ 0.0002035000000000, 0.0002715100000000, 0.0000071700000000 ] - [ -0.0000200300000000, 0.0002714800000000, 0.0001337700000000 ] - [ 0.0020364100000000, 0.0020522700000000, -0.0041456500000000 ] - [ -0.0000366300000000, 0.0005701900000000, -0.0002520100000000 ] - [ -0.0024788200000000, 0.0034039300000000, -0.0040591600000000 ] - [ -0.0004365800000000, 0.0009616300000000, -0.0002647500000000 ] - [ 0.0002159200000000, 0.0006171000000000, 0.0004955200000000 ] - [ 0.0000269600000000, 0.0013530600000000, 0.0001234700000000 ] - [ -0.0018588400000000, -0.0106123200000000, 0.0042760800000000 ] - [ 0.0001472000000000, 0.0006405100000000, 0.0003528600000000 ] - [ 0.0021362400000000, -0.0017272000000000, -0.0059999100000000 ] - [ 0.0001198600000000, 0.0012137200000000, 0.0005506300000000 ] - [ -0.0002569800000000, 0.0003271000000000, -0.0004084000000000 ] - [ 0.0001527600000000, 0.0000062800000000, -0.0002060600000000 ] - [ 0.0035648800000000, 0.0004704100000000, -0.0006281300000000 ] - [ -0.0000467200000000, 0.0010952000000000, 0.0004305400000000 ] - [ -0.0001740600000000, -0.0014536300000000, -0.0004408000000000 ] - [ 0.0006915600000000, 0.0004530200000000, -0.0000008600000000 ] - [ 0.0001524500000000, -0.0009535200000000, -0.0008912800000000 ] - [ -0.0000429100000000, 0.0011531100000000, -0.0001529800000000 ] - [ 0.0173454800000000, 0.0019366500000000, -0.0294715100000000 ] - [ 0.0001238900000000, 0.0011308100000000, -0.0003323000000000 ] - [ -0.0026561700000000, -0.0001196600000000, 0.0031966000000000 ] - [ 0.0001638600000000, 0.0007145800000000, 0.0003053300000000 ] - [ -0.0009287400000000, -0.0028411600000000, -0.0049827200000000 ] - [ 0.0000516600000000, 0.0007846100000000, 0.0003600200000000 ] - [ -0.0000668800000000, -0.0033985300000000, -0.0013684600000000 ] - [ 0.0000496200000000, 0.0007157300000000, 0.0004717100000000 ] - [ -0.0006559600000000, 0.0007863000000000, -0.0000665200000000 ] - [ -0.0001078900000000, 0.0019841800000000, 0.0004339600000000 ] - [ -0.0166135600000000, 0.0157534200000000, -0.0321146100000000 ] - [ -0.0004241000000000, 0.0005394000000000, -0.0008087000000000 ] - [ 0.0000861100000000, -0.0000527600000000, 0.0004651200000000 ] - [ 0.0005160200000000, 0.0005335900000000, 0.0008355100000000 ] - [ -0.0006384000000000, 0.0013079400000000, -0.0008656000000000 ] - [ -0.0011046500000000, 0.0002341400000000, -0.0002190000000000 ] - [ 0.0015760000000000, 0.0002235800000000, 0.0010538800000000 ] - [ -0.0000582300000000, 0.0010540600000000, 0.0001146000000000 ] - [ 0.0003981900000000, 0.0011142900000000, -0.0004507100000000 ] - [ -0.0006432700000000, 0.0003477900000000, 0.0000381900000000 ] - [ -0.0049359600000000, 0.0243285300000000, -0.0443018800000000 ] - [ -0.0008164100000000, 0.0003229300000000, -0.0002088800000000 ] - [ -0.0003802600000000, -0.0031945700000000, -0.0043722500000000 ] - [ 0.0002998200000000, 0.0011693200000000, 0.0000367200000000 ] - [ 0.0000317000000000, 0.0007836500000000, -0.0003058300000000 ] - [ -0.0010184300000000, -0.0004150600000000, 0.0003412400000000 ] - [ 0.0001366200000000, 0.0017702300000000, 0.0009597500000000 ] - [ -0.0001853600000000, 0.0014863400000000, -0.0006027700000000 ] - [ -0.0002573500000000, 0.0009489200000000, -0.0002554600000000 ] - [ -0.0006907000000000, 0.0000857500000000, 0.0007872700000000 ] - [ 0.0015629100000000, 0.0025816000000000, -0.0000208000000000 ] - [ -0.0003050100000000, 0.0014487200000000, 0.0004231400000000 ] - [ 0.0010481100000000, 0.0004466000000000, 0.0002190900000000 ] - [ 0.0000196400000000, -0.0009645900000000, 0.0000344300000000 ] - [ 0.0276496100000000, 0.0053615200000000, -0.0123582400000000 ] - [ 0.0003790900000000, 0.0008054300000000, 0.0000988300000000 ]- atom: 59 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005012900000000, -0.0032243800000000, 0.0000488300000000 ] - [ 0.0004360900000000, 0.0013458900000000, -0.0001091900000000 ] - [ 0.0059350700000000, -0.0096785900000000, 0.0023047700000000 ] - [ 0.0000860000000000, 0.0019057400000000, 0.0001475500000000 ] - [ -0.0000208400000000, 0.0012526900000000, -0.0000914900000000 ] - [ -0.0004135900000000, 0.0013564600000000, -0.0016015100000000 ] - [ 0.0017164700000000, 0.0004329600000000, 0.0018431100000000 ] - [ -0.0006645300000000, 0.0012114700000000, 0.0000371700000000 ] - [ 0.0002610300000000, -0.0038481700000000, -0.0011501100000000 ] - [ -0.0000440300000000, 0.0024064100000000, -0.0003114100000000 ] - [ -0.0004419200000000, 0.0016964100000000, 0.0002374100000000 ] - [ 0.0001865500000000, 0.0021521100000000, 0.0006605900000000 ] - [ 0.0082815400000000, -0.1107618000000000, 0.1123940800000000 ] - [ -0.0001028800000000, 0.0009181700000000, -0.0007709200000000 ] - [ 0.0020735000000000, 0.0003403600000000, 0.0015021100000000 ] - [ -0.0005682000000000, 0.0020137900000000, -0.0001135000000000 ] - [ 0.0052286700000000, 0.0063980800000000, -0.0072935000000000 ] - [ -0.0000659000000000, 0.0018474900000000, 0.0000131900000000 ] - [ 0.0054567800000000, -0.0039655800000000, -0.0052883400000000 ] - [ -0.0001827000000000, 0.0009186000000000, 0.0003230400000000 ] - [ -0.0000364300000000, 0.0014452400000000, 0.0000618100000000 ] - [ 0.0010934700000000, 0.0019602900000000, 0.0011748100000000 ] - [ 0.0002942500000000, 0.0004087800000000, 0.0003647300000000 ] - [ 0.0003271800000000, 0.0008620400000000, 0.0004300500000000 ] - [ 0.0011660300000000, -0.0009349200000000, -0.0012336800000000 ] - [ 0.0002023900000000, 0.0021205300000000, 0.0000958200000000 ] - [ -0.0010543800000000, -0.0039877300000000, -0.0055324600000000 ] - [ 0.0006767300000000, 0.0013896300000000, 0.0002543400000000 ] - [ -0.0015068900000000, -0.0053547900000000, -0.0003004100000000 ] - [ 0.0003998700000000, 0.0015639500000000, 0.0000464100000000 ] - [ -0.0003119600000000, 0.0008526900000000, -0.0003175700000000 ] - [ -0.0035652600000000, -0.0012403500000000, 0.0003203600000000 ] - [ 0.0000156600000000, 0.0015046100000000, -0.0006829100000000 ] - [ 0.0000797600000000, 0.0017600000000000, 0.0018840800000000 ] - [ -0.0006170600000000, 0.0011857300000000, -0.0026646300000000 ] - [ -0.0003222700000000, 0.0011100100000000, 0.0000484400000000 ] - [ 0.0007206700000000, 0.0013659200000000, -0.0004300200000000 ] - [ -0.0005206300000000, 0.0000755000000000, 0.0002087200000000 ] - [ -0.0012046400000000, -0.0015432100000000, 0.0000689500000000 ] - [ 0.0007912200000000, 0.0011809300000000, 0.0005452100000000 ] - [ 0.0005911600000000, -0.0033235300000000, 0.0004430200000000 ] - [ -0.0001483500000000, 0.0017145400000000, -0.0001567200000000 ] - [ 0.0006662900000000, 0.0004648700000000, 0.0032989100000000 ] - [ 0.0001963000000000, 0.0022218100000000, -0.0001438800000000 ] - [ -0.0007086600000000, -0.0019745400000000, -0.0027525600000000 ] - [ 0.0002420400000000, 0.0007624300000000, 0.0002734500000000 ] - [ -0.0176271400000000, -0.0566147600000000, 0.0275931600000000 ] - [ -0.0001170200000000, 0.0010887600000000, -0.0002148700000000 ] - [ -0.0019277600000000, -0.0013640500000000, 0.0008144000000000 ] - [ 0.0004390700000000, 0.0015082400000000, 0.0003381300000000 ] - [ -0.0003541400000000, 0.0029166700000000, -0.0000855600000000 ] - [ -0.0013448400000000, 0.0021373300000000, 0.0000030900000000 ] - [ -0.0047118600000000, -0.0001924100000000, -0.0110442300000000 ] - [ -0.0003194300000000, 0.0013793000000000, -0.0001700500000000 ] - [ 0.0011091100000000, 0.0081182600000000, -0.0099885300000000 ] - [ -0.0006820700000000, 0.0011352000000000, -0.0004153800000000 ] - [ 0.0000554900000000, -0.0010874300000000, 0.0003538900000000 ] - [ 0.0032078300000000, -0.0038030500000000, 0.0027909900000000 ] - [ 0.0209785400000000, 0.2087245800000000, -0.2397834000000000 ] - [ 0.0000921300000000, -0.0012547800000000, 0.0005700800000000 ] - [ -0.0008598000000000, -0.0005849500000000, -0.0018485300000000 ] - [ 0.0008986400000000, -0.0006018600000000, 0.0000561200000000 ] - [ -0.0001612400000000, 0.0011062900000000, 0.0008115000000000 ] - [ -0.0000618700000000, -0.0005448100000000, -0.0004439400000000 ] - [ 0.0009766800000000, 0.0029888300000000, 0.0010715800000000 ] - [ 0.0001040500000000, -0.0021607300000000, -0.0003966100000000 ] - [ 0.0005789800000000, -0.0010577200000000, 0.0010313500000000 ] - [ 0.0004559300000000, -0.0009643000000000, 0.0000576300000000 ] - [ 0.0000953400000000, 0.0028108400000000, 0.0002970200000000 ] - [ 0.0005180500000000, -0.0011323100000000, 0.0004265700000000 ] - [ 0.0012887300000000, 0.0028418100000000, -0.0001728400000000 ] - [ 0.0000767700000000, -0.0007784400000000, 0.0005167000000000 ] - [ 0.0014957100000000, 0.0022123800000000, 0.0002440400000000 ] - [ 0.0000006900000000, -0.0014372600000000, -0.0003547000000000 ] - [ 0.0000112000000000, 0.0024506100000000, -0.0019475800000000 ] - [ 0.0008750700000000, -0.0004207400000000, 0.0003673500000000 ] - [ -0.0002432500000000, 0.0032386200000000, -0.0005042600000000 ] - [ 0.0006182500000000, -0.0010707300000000, 0.0003492500000000 ] - [ -0.0003114100000000, -0.0007391700000000, -0.0002833500000000 ] - [ -0.0006223900000000, -0.0011298500000000, -0.0007361400000000 ] - [ -0.0003542200000000, -0.0009670600000000, -0.0000789300000000 ] - [ -0.0001320400000000, -0.0009674300000000, -0.0002028900000000 ] - [ -0.0016397500000000, -0.0022029600000000, 0.0039055100000000 ] - [ 0.0004012700000000, -0.0007072500000000, 0.0000112300000000 ] - [ 0.0019739200000000, -0.0037048000000000, 0.0039952000000000 ] - [ -0.0000718500000000, -0.0012638300000000, 0.0002045000000000 ] - [ -0.0004857000000000, -0.0000697500000000, -0.0004906800000000 ] - [ -0.0002960500000000, -0.0008071200000000, -0.0001184600000000 ] - [ 0.0022492400000000, 0.0100325200000000, -0.0044626500000000 ] - [ 0.0001230100000000, -0.0011861600000000, -0.0003591400000000 ] - [ -0.0019704600000000, 0.0024104800000000, 0.0060429000000000 ] - [ 0.0000310500000000, -0.0005163200000000, -0.0004787300000000 ] - [ -0.0000508000000000, -0.0015170200000000, -0.0000568400000000 ] - [ -0.0004598400000000, -0.0011985900000000, -0.0002600700000000 ] - [ -0.0041702900000000, 0.0002095500000000, 0.0010796000000000 ] - [ -0.0005693600000000, -0.0004171000000000, 0.0000186500000000 ] - [ 0.0007861300000000, 0.0007812000000000, -0.0000016700000000 ] - [ -0.0000753800000000, -0.0011294300000000, -0.0004478900000000 ] - [ -0.0002065700000000, 0.0013082300000000, 0.0004810500000000 ] - [ -0.0000120100000000, -0.0007960700000000, -0.0002547300000000 ] - [ -0.0170924300000000, -0.0016121300000000, 0.0293839500000000 ] - [ 0.0001470600000000, -0.0005836700000000, 0.0003248400000000 ] - [ 0.0023165900000000, -0.0000295400000000, -0.0029857400000000 ] - [ -0.0005298600000000, -0.0008525300000000, -0.0000665700000000 ] - [ 0.0009825500000000, 0.0024915600000000, 0.0053926200000000 ] - [ 0.0000029400000000, -0.0011387000000000, 0.0000468800000000 ] - [ 0.0003727900000000, 0.0021983100000000, 0.0018255500000000 ] - [ 0.0002598000000000, -0.0019097500000000, -0.0000053300000000 ] - [ -0.0000014400000000, 0.0002425200000000, 0.0001257600000000 ] - [ -0.0005497100000000, -0.0009624300000000, -0.0003741300000000 ] - [ 0.0162435300000000, -0.0163494700000000, 0.0308744300000000 ] - [ 0.0002959500000000, -0.0011807900000000, -0.0000227000000000 ] - [ 0.0000457400000000, -0.0005888500000000, 0.0003626100000000 ] - [ -0.0003872200000000, -0.0011757200000000, -0.0000042800000000 ] - [ -0.0000197900000000, -0.0023272400000000, 0.0009245800000000 ] - [ 0.0004430400000000, -0.0012556500000000, 0.0002777500000000 ] - [ -0.0015118200000000, 0.0001348600000000, -0.0006535600000000 ] - [ 0.0001133200000000, -0.0006974700000000, 0.0002922700000000 ] - [ -0.0006728100000000, -0.0016579700000000, 0.0004604800000000 ] - [ 0.0003698300000000, -0.0008930200000000, -0.0000299800000000 ] - [ 0.0038369900000000, -0.0258639200000000, 0.0450710900000000 ] - [ -0.0002968900000000, -0.0015540000000000, 0.0003982100000000 ] - [ 0.0002675900000000, 0.0038396900000000, 0.0035405500000000 ] - [ -0.0004278800000000, -0.0005261400000000, -0.0008668900000000 ] - [ -0.0000870200000000, -0.0011380400000000, -0.0001016400000000 ] - [ 0.0009603200000000, 0.0000590300000000, -0.0007472600000000 ] - [ -0.0002906700000000, -0.0010862300000000, -0.0010365600000000 ] - [ 0.0000346300000000, -0.0007862800000000, 0.0005276400000000 ] - [ -0.0001087000000000, -0.0008103500000000, 0.0004954500000000 ] - [ 0.0003204900000000, 0.0000521100000000, -0.0005394700000000 ] - [ -0.0026882400000000, -0.0013730100000000, 0.0002084900000000 ] - [ -0.0008073100000000, -0.0002149700000000, -0.0002328800000000 ] - [ 0.0000641400000000, -0.0016791800000000, -0.0004078800000000 ] - [ 0.0010910000000000, -0.0002698500000000, -0.0002203800000000 ] - [ -0.0274104600000000, -0.0051533500000000, 0.0121845000000000 ] - [ -0.0000132800000000, -0.0006658400000000, -0.0003373500000000 ]- atom: 59 displacement: [ -0.0045139598196510, 0.0000000000000000, 0.0089232374588249 ] forces: - [ -0.0015458600000000, -0.0051837100000000, -0.0050039900000000 ] - [ 0.0004438200000000, 0.0007700900000000, -0.0000708500000000 ] - [ -0.0100430000000000, -0.0030480400000000, 0.0130816500000000 ] - [ 0.0001077800000000, 0.0012340800000000, 0.0001445700000000 ] - [ -0.0002361000000000, 0.0006384500000000, -0.0003496100000000 ] - [ -0.0004059500000000, 0.0014097400000000, -0.0020181600000000 ] - [ 0.0005926800000000, 0.0012166100000000, 0.0034812300000000 ] - [ -0.0003904400000000, 0.0004574400000000, 0.0001570900000000 ] - [ 0.0001037800000000, -0.0008652000000000, -0.0007724700000000 ] - [ 0.0000517800000000, 0.0015403900000000, -0.0002176100000000 ] - [ -0.0004247000000000, 0.0002611800000000, 0.0004651000000000 ] - [ 0.0001509300000000, 0.0016734800000000, 0.0013774600000000 ] - [ -0.0151944400000000, -0.1035771000000000, 0.1986213900000000 ] - [ 0.0000097800000000, 0.0003891400000000, -0.0004602300000000 ] - [ -0.0019158700000000, 0.0006733600000000, 0.0036398400000000 ] - [ -0.0005489700000000, 0.0013078300000000, 0.0001150800000000 ] - [ 0.0085164900000000, 0.0147078800000000, -0.0221970400000000 ] - [ -0.0000809500000000, 0.0010632700000000, -0.0001277300000000 ] - [ 0.0106279400000000, -0.0020449000000000, -0.0051139800000000 ] - [ -0.0001968200000000, 0.0004532200000000, 0.0000782800000000 ] - [ -0.0001540300000000, 0.0003770300000000, -0.0000290300000000 ] - [ 0.0017504300000000, 0.0034939400000000, 0.0032794200000000 ] - [ 0.0004836300000000, -0.0002992100000000, -0.0013084500000000 ] - [ 0.0002844300000000, 0.0004658700000000, -0.0005190200000000 ] - [ 0.0040486300000000, -0.0004968900000000, -0.0011346300000000 ] - [ 0.0002743900000000, 0.0015683800000000, 0.0000375900000000 ] - [ 0.0139897100000000, -0.0057931500000000, -0.0133916700000000 ] - [ 0.0005596100000000, 0.0008940000000000, -0.0000625700000000 ] - [ -0.0007846800000000, -0.0030243700000000, 0.0005402800000000 ] - [ 0.0003142000000000, 0.0007546800000000, -0.0000454500000000 ] - [ -0.0005639800000000, 0.0004491600000000, -0.0003201500000000 ] - [ -0.0035199400000000, -0.0010281800000000, 0.0004613800000000 ] - [ 0.0000017800000000, 0.0010957900000000, -0.0000266900000000 ] - [ -0.0002531300000000, -0.0024955700000000, 0.0023376600000000 ] - [ -0.0006043100000000, 0.0011910900000000, -0.0034109400000000 ] - [ -0.0002283300000000, 0.0002974300000000, -0.0002090000000000 ] - [ 0.0008406600000000, 0.0009693500000000, -0.0007353600000000 ] - [ 0.0012713300000000, -0.0018562100000000, 0.0000905500000000 ] - [ 0.0033855000000000, -0.0020768100000000, -0.0036499600000000 ] - [ 0.0006837600000000, 0.0008928500000000, 0.0003129000000000 ] - [ -0.0001339000000000, -0.0012793200000000, -0.0030388900000000 ] - [ -0.0000478600000000, 0.0010805400000000, -0.0000429900000000 ] - [ -0.0021821400000000, -0.0036044300000000, 0.0004188800000000 ] - [ -0.0000733400000000, 0.0016174800000000, 0.0003280700000000 ] - [ 0.0023551200000000, -0.0010036500000000, -0.0049293200000000 ] - [ 0.0002412500000000, 0.0001395500000000, 0.0000964700000000 ] - [ -0.0597728100000000, -0.0372027300000000, 0.0938627600000000 ] - [ -0.0001124100000000, 0.0003349000000000, -0.0000999600000000 ] - [ -0.0007672700000000, -0.0013733300000000, 0.0022961900000000 ] - [ 0.0003444200000000, 0.0009529900000000, 0.0002228900000000 ] - [ -0.0010269400000000, 0.0013157500000000, 0.0025881600000000 ] - [ -0.0006311000000000, 0.0008575600000000, 0.0010353500000000 ] - [ -0.0050817300000000, 0.0012953500000000, -0.0136808400000000 ] - [ -0.0001897700000000, 0.0005109800000000, -0.0001496200000000 ] - [ -0.0034111300000000, 0.0065031100000000, -0.0097043500000000 ] - [ -0.0007125800000000, 0.0006107100000000, -0.0002091200000000 ] - [ 0.0001794100000000, -0.0007475900000000, 0.0002754200000000 ] - [ 0.0037441700000000, -0.0028916700000000, 0.0021683100000000 ] - [ 0.1523021600000000, 0.2235762100000000, -0.4562865000000000 ] - [ 0.0001163400000000, -0.0008208700000000, 0.0002533800000000 ] - [ 0.0022112900000000, 0.0023334600000000, -0.0011639500000000 ] - [ 0.0008360600000000, -0.0002581900000000, -0.0001821800000000 ] - [ -0.0006584800000000, 0.0011455300000000, 0.0013633900000000 ] - [ -0.0001646300000000, 0.0000497200000000, -0.0002229000000000 ] - [ 0.0001408500000000, 0.0013767100000000, 0.0006844000000000 ] - [ 0.0001703400000000, -0.0014757900000000, -0.0002362700000000 ] - [ 0.0004402200000000, -0.0004153700000000, 0.0002484300000000 ] - [ 0.0001686200000000, 0.0003705700000000, -0.0011337400000000 ] - [ 0.0003978700000000, 0.0011798500000000, 0.0008490400000000 ] - [ 0.0004165600000000, -0.0005911600000000, 0.0002508400000000 ] - [ 0.0014795900000000, 0.0020851100000000, 0.0002235200000000 ] - [ 0.0001495600000000, -0.0003080100000000, 0.0004243100000000 ] - [ 0.0006119900000000, 0.0014331100000000, -0.0006858600000000 ] - [ 0.0000885200000000, -0.0009523300000000, -0.0001852500000000 ] - [ 0.0017752600000000, 0.0025243100000000, 0.0015378600000000 ] - [ 0.0008051900000000, -0.0000151200000000, 0.0001091100000000 ] - [ 0.0006271500000000, 0.0015227900000000, -0.0003054300000000 ] - [ 0.0005244500000000, -0.0003216600000000, 0.0001559900000000 ] - [ -0.0003932300000000, 0.0001901300000000, -0.0001995200000000 ] - [ -0.0008237400000000, -0.0017806800000000, -0.0014000600000000 ] - [ -0.0003842100000000, -0.0004752800000000, 0.0008835200000000 ] - [ -0.0006803400000000, -0.0002608700000000, 0.0007321400000000 ] - [ 0.0010936900000000, -0.0038706100000000, 0.0058127600000000 ] - [ 0.0003719800000000, -0.0003180900000000, -0.0000658400000000 ] - [ 0.0024397700000000, -0.0048908000000000, 0.0049927700000000 ] - [ -0.0001008200000000, -0.0005455300000000, 0.0002255300000000 ] - [ -0.0004851300000000, 0.0013003000000000, 0.0010639900000000 ] - [ -0.0003501100000000, -0.0007180000000000, 0.0001200600000000 ] - [ -0.0297115400000000, 0.0069818400000000, 0.0502481900000000 ] - [ 0.0000837700000000, -0.0007932400000000, -0.0001766100000000 ] - [ -0.0069306000000000, 0.0066785500000000, 0.0179755500000000 ] - [ -0.0000014500000000, -0.0000915100000000, -0.0001446300000000 ] - [ 0.0000512400000000, -0.0006887200000000, -0.0004396700000000 ] - [ 0.0002166000000000, -0.0007788000000000, -0.0009532400000000 ] - [ -0.0076721300000000, -0.0013601000000000, 0.0006411000000000 ] - [ -0.0005739500000000, -0.0000841700000000, 0.0001364500000000 ] - [ -0.0029017700000000, 0.0009656000000000, 0.0026162400000000 ] - [ -0.0000146800000000, -0.0008381000000000, -0.0003190300000000 ] - [ -0.0004664100000000, 0.0011578500000000, 0.0016118400000000 ] - [ -0.0000209700000000, -0.0004535600000000, -0.0002226500000000 ] - [ -0.0353170900000000, -0.0350707100000000, 0.0722632000000000 ] - [ 0.0001887400000000, -0.0001719500000000, 0.0001402500000000 ] - [ -0.0017088400000000, 0.0039277200000000, 0.0028464000000000 ] - [ -0.0003617500000000, -0.0005807700000000, -0.0000243100000000 ] - [ 0.0009777300000000, 0.0009707400000000, 0.0070065400000000 ] - [ -0.0000150800000000, -0.0006467200000000, 0.0002006000000000 ] - [ -0.0013962100000000, 0.0008009300000000, -0.0007820300000000 ] - [ 0.0001953300000000, -0.0013657100000000, 0.0000980100000000 ] - [ -0.0014441000000000, 0.0015556500000000, -0.0008126800000000 ] - [ -0.0005354800000000, -0.0005621400000000, -0.0003993300000000 ] - [ 0.0153749000000000, -0.0151738700000000, 0.0075499100000000 ] - [ 0.0001752400000000, -0.0007972600000000, -0.0002487500000000 ] - [ -0.0006804200000000, 0.0002794600000000, 0.0030231200000000 ] - [ -0.0002545200000000, -0.0008871300000000, 0.0003295300000000 ] - [ 0.0000257300000000, -0.0022957400000000, 0.0010386600000000 ] - [ 0.0005490700000000, -0.0006873800000000, 0.0005830400000000 ] - [ -0.0008972700000000, -0.0011098800000000, -0.0028812200000000 ] - [ 0.0001239500000000, -0.0001346100000000, 0.0001074500000000 ] - [ 0.0000466000000000, -0.0018827500000000, -0.0004383100000000 ] - [ 0.0000445300000000, -0.0000808900000000, -0.0005163300000000 ] - [ 0.0079849800000000, -0.0334593100000000, 0.0362174500000000 ] - [ -0.0004124400000000, -0.0010402200000000, 0.0002249300000000 ] - [ -0.0047350800000000, 0.0012289800000000, 0.0032560400000000 ] - [ -0.0002923300000000, -0.0001593000000000, -0.0006274300000000 ] - [ -0.0000231200000000, -0.0008888600000000, -0.0001229000000000 ] - [ 0.0008255000000000, 0.0002054000000000, -0.0012996100000000 ] - [ 0.0010596300000000, 0.0011491700000000, -0.0022098800000000 ] - [ -0.0000141000000000, -0.0001084500000000, -0.0003024600000000 ] - [ -0.0001191100000000, -0.0005885000000000, 0.0003115900000000 ] - [ -0.0003375100000000, 0.0019707800000000, -0.0003180300000000 ] - [ -0.0053632700000000, -0.0050028900000000, 0.0013034700000000 ] - [ -0.0007059800000000, 0.0003450700000000, 0.0000280600000000 ] - [ 0.0001552700000000, -0.0013189800000000, -0.0001898700000000 ] - [ 0.0000223200000000, 0.0003187400000000, -0.0007592400000000 ] - [ -0.0324796600000000, -0.0157832300000000, 0.0083109800000000 ] - [ 0.0000360500000000, -0.0002931400000000, -0.0002282800000000 ]- atom: 59 displacement: [ 0.0045139598196510, 0.0000000000000000, -0.0089232374588249 ] forces: - [ 0.0019690600000000, 0.0044828200000000, 0.0050912500000000 ] - [ 0.0000298600000000, -0.0014173600000000, 0.0001748500000000 ] - [ 0.0110437900000000, 0.0035316400000000, -0.0129931000000000 ] - [ 0.0003644900000000, -0.0005750900000000, -0.0000399800000000 ] - [ -0.0002373300000000, 0.0000177300000000, 0.0002441400000000 ] - [ -0.0000586300000000, -0.0007530100000000, 0.0019079600000000 ] - [ -0.0010716000000000, -0.0018660200000000, -0.0035624200000000 ] - [ -0.0000855000000000, -0.0011052300000000, -0.0002597200000000 ] - [ 0.0002573800000000, 0.0017378200000000, 0.0005463600000000 ] - [ 0.0002999500000000, -0.0006483000000000, -0.0000150200000000 ] - [ 0.0000706600000000, 0.0006242200000000, -0.0002306800000000 ] - [ -0.0005024000000000, -0.0007799800000000, -0.0011459600000000 ] - [ 0.0137673300000000, 0.1099525300000000, -0.2080755900000000 ] - [ 0.0005548400000000, -0.0008929600000000, -0.0000642800000000 ] - [ 0.0018718000000000, 0.0006894500000000, -0.0035286100000000 ] - [ 0.0004852900000000, 0.0000467000000000, -0.0000211000000000 ] - [ -0.0086324300000000, -0.0138554800000000, 0.0219357400000000 ] - [ -0.0001160700000000, -0.0001729300000000, -0.0000863700000000 ] - [ -0.0114066300000000, 0.0018466300000000, 0.0048842100000000 ] - [ -0.0006048100000000, -0.0006662800000000, -0.0002951100000000 ] - [ -0.0001011800000000, -0.0001594200000000, -0.0001638000000000 ] - [ -0.0020129300000000, -0.0032682800000000, -0.0035222700000000 ] - [ -0.0010437000000000, -0.0002043300000000, 0.0018241800000000 ] - [ -0.0008473900000000, -0.0009740600000000, 0.0010434000000000 ] - [ -0.0039625000000000, 0.0018381500000000, 0.0010352600000000 ] - [ -0.0002133600000000, -0.0002125500000000, -0.0001292600000000 ] - [ -0.0133538700000000, 0.0063267100000000, 0.0128685800000000 ] - [ 0.0000092600000000, -0.0003832600000000, -0.0004597100000000 ] - [ 0.0011243700000000, 0.0021231900000000, -0.0007732700000000 ] - [ 0.0000393200000000, -0.0016327100000000, -0.0001862100000000 ] - [ 0.0006199600000000, -0.0017930400000000, 0.0002255600000000 ] - [ 0.0035450200000000, -0.0003249600000000, -0.0005505600000000 ] - [ 0.0007967600000000, -0.0013064500000000, 0.0002487300000000 ] - [ 0.0010291100000000, 0.0022955600000000, -0.0020920000000000 ] - [ 0.0002491200000000, -0.0020675300000000, 0.0036288300000000 ] - [ -0.0001261700000000, -0.0011789500000000, 0.0004434700000000 ] - [ -0.0006409600000000, -0.0018484200000000, 0.0009482800000000 ] - [ -0.0010764100000000, 0.0009606900000000, 0.0001306200000000 ] - [ -0.0025663400000000, 0.0022946900000000, 0.0038455900000000 ] - [ 0.0001183600000000, -0.0006752300000000, -0.0000938400000000 ] - [ 0.0003921800000000, 0.0014930700000000, 0.0032120200000000 ] - [ 0.0003014800000000, -0.0008595800000000, 0.0002356700000000 ] - [ 0.0023733400000000, 0.0044688800000000, -0.0002171000000000 ] - [ 0.0002725600000000, -0.0007248300000000, -0.0001172500000000 ] - [ -0.0024082500000000, -0.0003488300000000, 0.0049964700000000 ] - [ -0.0003014900000000, -0.0014861900000000, -0.0000021600000000 ] - [ 0.0545537200000000, 0.0313743600000000, -0.0863189600000000 ] - [ -0.0000852000000000, -0.0012164500000000, -0.0001132200000000 ] - [ 0.0010137200000000, 0.0011521200000000, -0.0020841800000000 ] - [ -0.0000888200000000, -0.0011627400000000, -0.0000293700000000 ] - [ 0.0004539900000000, -0.0008106000000000, -0.0020393200000000 ] - [ 0.0000531700000000, -0.0003393300000000, -0.0005092000000000 ] - [ 0.0048380600000000, -0.0015140300000000, 0.0134563900000000 ] - [ -0.0000663500000000, -0.0007226000000000, -0.0000422900000000 ] - [ 0.0026750600000000, -0.0062196400000000, 0.0093613900000000 ] - [ -0.0000905200000000, -0.0003920100000000, -0.0000113600000000 ] - [ -0.0007897600000000, 0.0000696400000000, 0.0001727800000000 ] - [ -0.0043374000000000, 0.0021801400000000, -0.0016846500000000 ] - [ -0.1457073700000000, -0.2259978000000000, 0.4570451600000000 ] - [ 0.0000349000000000, 0.0001217300000000, -0.0001806200000000 ] - [ -0.0015931800000000, -0.0016704300000000, 0.0006946000000000 ] - [ -0.0002213200000000, 0.0009311100000000, -0.0002644800000000 ] - [ 0.0003476100000000, 0.0000509500000000, -0.0018179500000000 ] - [ -0.0001443500000000, 0.0011407100000000, -0.0002399900000000 ] - [ 0.0005187800000000, -0.0023854200000000, -0.0007384800000000 ] - [ 0.0004850600000000, 0.0004476000000000, 0.0001739200000000 ] - [ -0.0003113500000000, 0.0010558300000000, 0.0005787000000000 ] - [ -0.0000345300000000, 0.0002611000000000, 0.0019579100000000 ] - [ 0.0001065700000000, -0.0008670300000000, -0.0007814900000000 ] - [ 0.0000933100000000, 0.0008906000000000, -0.0001871800000000 ] - [ -0.0011554400000000, -0.0008807700000000, 0.0002438200000000 ] - [ 0.0001598500000000, 0.0014982300000000, 0.0000414200000000 ] - [ -0.0000983200000000, -0.0017275700000000, 0.0007436000000000 ] - [ 0.0004195800000000, 0.0006432100000000, 0.0002463300000000 ] - [ -0.0006596800000000, -0.0012843200000000, -0.0017081000000000 ] - [ 0.0003082800000000, 0.0012445800000000, -0.0002937000000000 ] - [ 0.0000235200000000, -0.0004920400000000, 0.0002417800000000 ] - [ 0.0001337200000000, 0.0013385900000000, -0.0002136300000000 ] - [ -0.0001175100000000, 0.0001143000000000, 0.0001375900000000 ] - [ 0.0003165400000000, 0.0020808200000000, 0.0013454200000000 ] - [ 0.0002312200000000, -0.0002226100000000, -0.0009496300000000 ] - [ 0.0005279600000000, -0.0004343700000000, -0.0008031900000000 ] - [ -0.0007949700000000, 0.0037398600000000, -0.0060150800000000 ] - [ -0.0000054000000000, 0.0001793200000000, -0.0001748500000000 ] - [ -0.0029293700000000, 0.0045560800000000, -0.0050202000000000 ] - [ -0.0004076500000000, 0.0002384600000000, -0.0002866000000000 ] - [ 0.0002088500000000, -0.0007492700000000, -0.0010479300000000 ] - [ 0.0000751300000000, 0.0012604000000000, -0.0001110900000000 ] - [ 0.0294637900000000, -0.0074367300000000, -0.0491975000000000 ] - [ 0.0001874300000000, 0.0002457500000000, 0.0001696500000000 ] - [ 0.0070514500000000, -0.0059238900000000, -0.0178431400000000 ] - [ 0.0001517000000000, 0.0007849600000000, 0.0002148200000000 ] - [ -0.0003613500000000, -0.0005104700000000, -0.0000251400000000 ] - [ -0.0005288900000000, -0.0004229200000000, 0.0004906300000000 ] - [ 0.0070047600000000, 0.0020223600000000, -0.0001941100000000 ] - [ -0.0000401000000000, 0.0007581600000000, 0.0003108800000000 ] - [ 0.0034955800000000, -0.0016371700000000, -0.0030359800000000 ] - [ 0.0006270500000000, 0.0001592300000000, -0.0001286800000000 ] - [ 0.0004088200000000, -0.0007984100000000, -0.0020067800000000 ] - [ -0.0000328000000000, 0.0008034000000000, -0.0001827100000000 ] - [ 0.0362137900000000, 0.0363720300000000, -0.0736104000000000 ] - [ 0.0000827400000000, 0.0007145800000000, -0.0001476000000000 ] - [ 0.0013341100000000, -0.0040622800000000, -0.0025857100000000 ] - [ -0.0000075700000000, 0.0004403400000000, 0.0002662700000000 ] - [ -0.0009225100000000, -0.0013252000000000, -0.0065695200000000 ] - [ 0.0000678500000000, 0.0002895000000000, 0.0002050700000000 ] - [ 0.0016889000000000, -0.0019821800000000, 0.0012423800000000 ] - [ 0.0001142000000000, 0.0001649100000000, 0.0003656500000000 ] - [ 0.0007761900000000, -0.0005296400000000, 0.0008677800000000 ] - [ -0.0001229400000000, 0.0015785700000000, 0.0004602600000000 ] - [ -0.0154412900000000, 0.0143071000000000, -0.0079260600000000 ] - [ -0.0003044700000000, 0.0001516200000000, -0.0005788500000000 ] - [ 0.0008035900000000, -0.0009204300000000, -0.0021781100000000 ] - [ 0.0003821500000000, 0.0002442300000000, 0.0005007500000000 ] - [ -0.0006814300000000, 0.0012623400000000, -0.0009720500000000 ] - [ -0.0011949600000000, -0.0003338800000000, -0.0005192000000000 ] - [ 0.0009285600000000, 0.0014369600000000, 0.0033087100000000 ] - [ -0.0000712200000000, 0.0004865800000000, 0.0002991700000000 ] - [ -0.0003157200000000, 0.0013312100000000, 0.0004404400000000 ] - [ -0.0003108100000000, -0.0004636800000000, 0.0005191700000000 ] - [ -0.0089422900000000, 0.0317093500000000, -0.0357338600000000 ] - [ -0.0007003100000000, -0.0001960600000000, -0.0000356700000000 ] - [ 0.0045676100000000, -0.0006158600000000, -0.0040885300000000 ] - [ 0.0001616100000000, 0.0007984400000000, -0.0002039600000000 ] - [ -0.0000293700000000, 0.0005312000000000, -0.0002814100000000 ] - [ -0.0008715500000000, -0.0005573000000000, 0.0008862300000000 ] - [ -0.0012022800000000, -0.0004383000000000, 0.0021284000000000 ] - [ -0.0001355700000000, 0.0007989000000000, 0.0002341100000000 ] - [ -0.0002477200000000, 0.0007226800000000, -0.0000695500000000 ] - [ -0.0000188600000000, -0.0018212600000000, 0.0005467100000000 ] - [ 0.0042715900000000, 0.0062827600000000, -0.0010928600000000 ] - [ -0.0004085000000000, 0.0008866100000000, 0.0001599400000000 ] - [ 0.0009564000000000, 0.0000824300000000, 0.0000021600000000 ] - [ 0.0010890800000000, -0.0015452700000000, 0.0005622500000000 ] - [ 0.0325769500000000, 0.0156957200000000, -0.0085820000000000 ] - [ 0.0003311800000000, 0.0004290600000000, -0.0000119200000000 ]- atom: 63 displacement: [ 0.0099999786541794, 0.0000000000000000, -0.0000206619446251 ] forces: - [ 0.0004692200000000, 0.0009828300000000, -0.0000777000000000 ] - [ 0.0007686300000000, -0.0000959900000000, 0.0003224600000000 ] - [ -0.0010304100000000, 0.0016692700000000, 0.0032909400000000 ] - [ 0.0002087000000000, 0.0003141300000000, 0.0000434200000000 ] - [ -0.0007791000000000, 0.0005539700000000, 0.0005024300000000 ] - [ -0.0002553500000000, 0.0004204000000000, -0.0000878100000000 ] - [ 0.0145478500000000, 0.0008246000000000, 0.0127667600000000 ] - [ -0.0002968500000000, -0.0001431800000000, -0.0000715000000000 ] - [ 0.0005236200000000, 0.0002140500000000, 0.0008944000000000 ] - [ 0.0002109800000000, 0.0004410600000000, -0.0000164100000000 ] - [ 0.0000862700000000, 0.0000034400000000, 0.0019385500000000 ] - [ -0.0001181100000000, 0.0007133500000000, 0.0002336200000000 ] - [ -0.0009174700000000, -0.0002431200000000, -0.0001404100000000 ] - [ -0.0001605400000000, 0.0000054900000000, -0.0002989200000000 ] - [ 0.0002455300000000, 0.0007835100000000, 0.0004213100000000 ] - [ -0.0002609500000000, 0.0001758000000000, 0.0005321300000000 ] - [ -0.0005902600000000, 0.0013290500000000, -0.0003347300000000 ] - [ -0.0006889500000000, 0.0000153300000000, -0.0004647300000000 ] - [ -0.0001615800000000, -0.0011884300000000, -0.0019511800000000 ] - [ -0.0003598900000000, 0.0000500000000000, -0.0001375800000000 ] - [ -0.0006177000000000, -0.0018604600000000, -0.0003335000000000 ] - [ -0.0000083400000000, 0.0005801400000000, 0.0000376600000000 ] - [ -0.0044863700000000, -0.0035678100000000, -0.0014186100000000 ] - [ -0.0002635300000000, -0.0000997100000000, 0.0002853000000000 ] - [ 0.0024003600000000, 0.0008411800000000, 0.0016128500000000 ] - [ 0.0001327400000000, 0.0008096400000000, -0.0000114000000000 ] - [ -0.0006541300000000, -0.0001685600000000, -0.0013799800000000 ] - [ 0.0003468300000000, 0.0003165400000000, -0.0003877900000000 ] - [ -0.0009370100000000, -0.0024312300000000, 0.0006220500000000 ] - [ 0.0003368000000000, 0.0001928500000000, -0.0000702400000000 ] - [ 0.0002443000000000, 0.0016495800000000, 0.0017014000000000 ] - [ -0.0000198000000000, -0.0008491500000000, 0.0000449700000000 ] - [ -0.0000694000000000, -0.0002127800000000, -0.0001811700000000 ] - [ 0.0002977000000000, 0.0000985500000000, 0.0000233900000000 ] - [ 0.0471351600000000, -0.0075094500000000, 0.0101110400000000 ] - [ -0.0001802800000000, -0.0002089900000000, 0.0001397200000000 ] - [ 0.0006896700000000, -0.0001168900000000, -0.0021353500000000 ] - [ -0.0001331500000000, -0.0003599300000000, -0.0000296500000000 ] - [ -0.0104426300000000, -0.0055068500000000, -0.0016881200000000 ] - [ 0.0004664100000000, 0.0002439700000000, 0.0001491500000000 ] - [ -0.0006769200000000, -0.0017053500000000, 0.0025274200000000 ] - [ 0.0000941900000000, 0.0002737600000000, 0.0000939100000000 ] - [ -0.0060525900000000, 0.0003287300000000, 0.0000831300000000 ] - [ 0.0000506600000000, 0.0006100600000000, 0.0000918000000000 ] - [ 0.0532192500000000, -0.0191491900000000, 0.0101402500000000 ] - [ 0.0001477500000000, -0.0004020200000000, 0.0001426900000000 ] - [ -0.0027666400000000, -0.0006614400000000, -0.0011103900000000 ] - [ -0.0001855200000000, -0.0002923800000000, -0.0000939000000000 ] - [ 0.0000345700000000, -0.0006870800000000, -0.0000715500000000 ] - [ 0.0000576200000000, 0.0009234300000000, -0.0014030700000000 ] - [ -0.0023357300000000, 0.0011924300000000, -0.0006178800000000 ] - [ -0.0004348000000000, 0.0004274800000000, 0.0001848300000000 ] - [ -0.0000039400000000, -0.0005849400000000, -0.0039251000000000 ] - [ -0.0001471500000000, 0.0001007900000000, -0.0000487100000000 ] - [ -0.0007478500000000, 0.0001135900000000, -0.0001597700000000 ] - [ -0.0014899500000000, 0.0006202800000000, -0.0001512200000000 ] - [ -0.0001655600000000, -0.0010387000000000, -0.0002513900000000 ] - [ -0.0000867500000000, -0.0003679100000000, 0.0002246400000000 ] - [ 0.0010512000000000, -0.0003387100000000, -0.0000328600000000 ] - [ 0.0001770600000000, -0.0004388000000000, 0.0000760400000000 ] - [ 0.0002614700000000, 0.0001553800000000, -0.0001888200000000 ] - [ 0.0006702300000000, 0.0004153900000000, -0.0003716200000000 ] - [ -0.1041773000000000, 0.0514630300000000, -0.0432840200000000 ] - [ -0.0001713000000000, 0.0004096100000000, -0.0002959700000000 ] - [ -0.0082618200000000, 0.0124392800000000, 0.0026660900000000 ] - [ 0.0002241400000000, -0.0009874500000000, -0.0001262400000000 ] - [ 0.0011524500000000, -0.0001853600000000, 0.0009235800000000 ] - [ 0.0001574300000000, 0.0001567500000000, 0.0005111700000000 ] - [ -0.0000764800000000, 0.0010942400000000, -0.0009067800000000 ] - [ 0.0002859800000000, 0.0000648900000000, -0.0000248000000000 ] - [ 0.0000501800000000, 0.0013029000000000, -0.0004757500000000 ] - [ 0.0000509900000000, -0.0001726300000000, 0.0002807200000000 ] - [ 0.0007023200000000, 0.0008301000000000, 0.0005161700000000 ] - [ 0.0001265800000000, -0.0009281200000000, 0.0001726900000000 ] - [ 0.0043031000000000, 0.0011732200000000, -0.0009706200000000 ] - [ 0.0006220200000000, 0.0005100400000000, -0.0000652000000000 ] - [ 0.0001602100000000, 0.0007642200000000, -0.0003015500000000 ] - [ 0.0002521000000000, 0.0006629300000000, -0.0002569700000000 ] - [ 0.0008326100000000, 0.0017838200000000, -0.0013370800000000 ] - [ -0.0003541800000000, -0.0001510800000000, -0.0001487900000000 ] - [ 0.0004837800000000, 0.0007868200000000, 0.0017182400000000 ] - [ -0.0000357200000000, -0.0004240500000000, -0.0000209900000000 ] - [ 0.0006250400000000, -0.0002836900000000, -0.0000131700000000 ] - [ 0.0007955300000000, -0.0000720000000000, -0.0001909800000000 ] - [ -0.0155365100000000, 0.0011955200000000, 0.0090242000000000 ] - [ -0.0002382000000000, -0.0003075600000000, -0.0000218300000000 ] - [ 0.0024593700000000, 0.0007249000000000, -0.0005355200000000 ] - [ -0.0001070000000000, 0.0001729300000000, -0.0000222500000000 ] - [ 0.0009088800000000, -0.0000370000000000, 0.0006896900000000 ] - [ 0.0000827000000000, -0.0004012700000000, -0.0000573200000000 ] - [ 0.0005249200000000, 0.0000408300000000, 0.0006783000000000 ] - [ 0.0000228600000000, 0.0004484000000000, 0.0002392600000000 ] - [ -0.0004378700000000, 0.0000875100000000, -0.0010720300000000 ] - [ -0.0002442000000000, -0.0007556200000000, -0.0003128600000000 ] - [ -0.0019035600000000, 0.0010778700000000, 0.0014297300000000 ] - [ -0.0003833500000000, 0.0002462100000000, 0.0002359600000000 ] - [ 0.0301712700000000, -0.0259815600000000, -0.0072966000000000 ] - [ 0.0001770700000000, -0.0004392400000000, -0.0002392500000000 ] - [ -0.0001196100000000, 0.0002952600000000, -0.0015045200000000 ] - [ -0.0000353900000000, 0.0000809300000000, -0.0002362700000000 ] - [ 0.0011350600000000, -0.0003496400000000, -0.0001322300000000 ] - [ 0.0004403100000000, 0.0003514200000000, -0.0000560100000000 ] - [ 0.0060601100000000, 0.0017659400000000, -0.0010250800000000 ] - [ -0.0002037300000000, -0.0001401600000000, 0.0001119400000000 ] - [ -0.0053070100000000, -0.0088578300000000, 0.0077722800000000 ] - [ -0.0000053300000000, -0.0003542300000000, 0.0001329800000000 ] - [ -0.0007276800000000, -0.0005155900000000, -0.0006499100000000 ] - [ 0.0001160300000000, -0.0006505400000000, 0.0002008700000000 ] - [ -0.0011677700000000, 0.0003567700000000, -0.0013920600000000 ] - [ -0.0003802400000000, 0.0003019300000000, -0.0000383400000000 ] - [ 0.0005207800000000, -0.0004406000000000, -0.0002938900000000 ] - [ 0.0003212800000000, -0.0006445600000000, -0.0002734600000000 ] - [ 0.0052071000000000, 0.0019235000000000, 0.0039591300000000 ] - [ 0.0000137400000000, -0.0004285200000000, 0.0003793100000000 ] - [ -0.0126236500000000, -0.0048957800000000, -0.0061893800000000 ] - [ -0.0004055200000000, -0.0006349800000000, -0.0000491900000000 ] - [ -0.0000662800000000, -0.0001694700000000, -0.0000016300000000 ] - [ 0.0000504400000000, 0.0009253300000000, -0.0002505500000000 ] - [ 0.0010448700000000, -0.0019268800000000, 0.0018179000000000 ] - [ -0.0000409000000000, -0.0003680600000000, 0.0000614800000000 ] - [ 0.0009141700000000, -0.0008476600000000, 0.0018178600000000 ] - [ -0.0005172900000000, -0.0007166200000000, 0.0001040600000000 ] - [ 0.0004778000000000, 0.0010809900000000, 0.0006820700000000 ] - [ -0.0000768400000000, 0.0002494300000000, -0.0003996000000000 ] - [ -0.0001748200000000, -0.0024951200000000, 0.0008626200000000 ] - [ -0.0000106100000000, -0.0000337500000000, -0.0002968800000000 ] - [ 0.0031814700000000, 0.0001235100000000, -0.0001124000000000 ] - [ -0.0000258100000000, 0.0002396000000000, 0.0000354200000000 ] - [ 0.0000668200000000, -0.0001352600000000, 0.0005474700000000 ] - [ -0.0000377800000000, -0.0000798600000000, 0.0002367300000000 ] - [ -0.0005743600000000, 0.0002736800000000, -0.0000313800000000 ] - [ -0.0001928200000000, 0.0013850000000000, 0.0005723100000000 ] - [ 0.0005503300000000, -0.0006660600000000, 0.0007803600000000 ] - [ 0.0006922300000000, -0.0004636400000000, 0.0001554200000000 ] - [ 0.0021183600000000, 0.0020165500000000, 0.0021084200000000 ] - [ 0.0001889400000000, -0.0000254200000000, -0.0001103300000000 ]- atom: 63 displacement: [ -0.0099999786541794, 0.0000000000000000, 0.0000206619446251 ] forces: - [ -0.0000007800000000, -0.0016206300000000, 0.0001800400000000 ] - [ -0.0003148800000000, -0.0005811600000000, -0.0002294800000000 ] - [ 0.0015087700000000, -0.0010167300000000, -0.0032016300000000 ] - [ 0.0002640900000000, 0.0003384000000000, 0.0000587400000000 ] - [ 0.0003130600000000, 0.0001175600000000, -0.0005978900000000 ] - [ -0.0002178100000000, 0.0002290500000000, -0.0000142900000000 ] - [ -0.0146523400000000, -0.0014153500000000, -0.0122295300000000 ] - [ -0.0001750100000000, -0.0005121000000000, -0.0000302200000000 ] - [ -0.0001659700000000, 0.0006578800000000, -0.0011186900000000 ] - [ 0.0001427700000000, 0.0004399400000000, -0.0002168900000000 ] - [ -0.0004358100000000, 0.0008893700000000, -0.0017161300000000 ] - [ -0.0002349100000000, 0.0001663300000000, -0.0000009000000000 ] - [ 0.0014892800000000, -0.0002679900000000, -0.0003928600000000 ] - [ 0.0007293300000000, -0.0005106600000000, -0.0002294800000000 ] - [ -0.0003015500000000, 0.0005638400000000, -0.0003281500000000 ] - [ 0.0002093600000000, 0.0011781300000000, -0.0004466200000000 ] - [ 0.0003892900000000, -0.0004492300000000, 0.0001253800000000 ] - [ 0.0004884600000000, 0.0008742100000000, 0.0002516100000000 ] - [ -0.0006420400000000, 0.0009577400000000, 0.0017182400000000 ] - [ -0.0004411500000000, -0.0002669900000000, -0.0000842700000000 ] - [ 0.0003639900000000, 0.0020884900000000, 0.0001481600000000 ] - [ -0.0002454100000000, -0.0003683400000000, -0.0002262600000000 ] - [ 0.0039153500000000, 0.0030815400000000, 0.0019585400000000 ] - [ -0.0003073000000000, -0.0004083700000000, 0.0002421100000000 ] - [ -0.0023218100000000, 0.0005100300000000, -0.0016923100000000 ] - [ -0.0000726000000000, 0.0005402900000000, -0.0000817700000000 ] - [ 0.0012057100000000, 0.0006675800000000, 0.0008549200000000 ] - [ 0.0002207100000000, 0.0001891400000000, -0.0001399900000000 ] - [ 0.0012958500000000, 0.0015796000000000, -0.0008498900000000 ] - [ 0.0000176500000000, -0.0010840900000000, -0.0001495700000000 ] - [ -0.0001100900000000, -0.0030253300000000, -0.0017078400000000 ] - [ 0.0000856700000000, -0.0004999500000000, -0.0001378300000000 ] - [ 0.0008603500000000, -0.0000093900000000, 0.0003810900000000 ] - [ 0.0005043700000000, -0.0003156400000000, 0.0001972900000000 ] - [ -0.0470344800000000, 0.0075306900000000, -0.0084825600000000 ] - [ -0.0001724900000000, -0.0006745300000000, 0.0000931200000000 ] - [ -0.0005019400000000, -0.0007483000000000, 0.0023411300000000 ] - [ 0.0003304100000000, -0.0005274900000000, 0.0002440300000000 ] - [ 0.0112327100000000, 0.0057355100000000, 0.0019003700000000 ] - [ 0.0003332500000000, -0.0000294200000000, 0.0000724600000000 ] - [ 0.0009219200000000, 0.0018924800000000, -0.0023004500000000 ] - [ 0.0001596100000000, -0.0000605500000000, 0.0000955700000000 ] - [ 0.0062209200000000, 0.0005690000000000, 0.0001249300000000 ] - [ 0.0001479100000000, 0.0002740300000000, 0.0001221500000000 ] - [ -0.0533152900000000, 0.0188356900000000, -0.0100361600000000 ] - [ -0.0002098600000000, -0.0009528600000000, -0.0000498300000000 ] - [ 0.0025317400000000, -0.0002124800000000, 0.0008705400000000 ] - [ -0.0000125300000000, -0.0005952400000000, -0.0001212100000000 ] - [ 0.0002194100000000, 0.0004718300000000, 0.0002619700000000 ] - [ 0.0001959500000000, -0.0011343900000000, 0.0015949000000000 ] - [ 0.0017420100000000, -0.0006652500000000, 0.0011194200000000 ] - [ -0.0001338600000000, 0.0000773200000000, 0.0003428200000000 ] - [ -0.0002875800000000, 0.0004544200000000, 0.0036705600000000 ] - [ -0.0001059100000000, -0.0003190200000000, -0.0001415900000000 ] - [ -0.0000496100000000, 0.0000971500000000, -0.0000601000000000 ] - [ 0.0006923900000000, -0.0004031200000000, -0.0000717500000000 ] - [ -0.0004823400000000, 0.0003575700000000, 0.0006918300000000 ] - [ -0.0005345800000000, -0.0003075500000000, 0.0002245100000000 ] - [ -0.0009032500000000, -0.0003610300000000, 0.0001193000000000 ] - [ -0.0000308700000000, -0.0002585600000000, 0.0000004600000000 ] - [ 0.0003522200000000, 0.0005233000000000, -0.0002588900000000 ] - [ -0.0000542700000000, 0.0002650300000000, -0.0000646700000000 ] - [ 0.1035392300000000, -0.0528522900000000, 0.0403145200000000 ] - [ -0.0001404400000000, 0.0007891100000000, -0.0001725000000000 ] - [ 0.0088541800000000, -0.0135902400000000, -0.0027688100000000 ] - [ 0.0004314700000000, -0.0000291700000000, 0.0000606300000000 ] - [ -0.0010093900000000, 0.0008163300000000, -0.0000760600000000 ] - [ -0.0000272200000000, 0.0004869400000000, 0.0003183900000000 ] - [ 0.0005783000000000, -0.0007737000000000, 0.0009574700000000 ] - [ 0.0002209100000000, 0.0002407700000000, 0.0000855900000000 ] - [ 0.0002583400000000, -0.0001169300000000, 0.0009449900000000 ] - [ 0.0002551600000000, 0.0013899600000000, 0.0001711200000000 ] - [ -0.0001975400000000, -0.0011412900000000, -0.0004621200000000 ] - [ 0.0003791600000000, 0.0006170600000000, -0.0001157500000000 ] - [ -0.0031500600000000, 0.0000696000000000, 0.0007699900000000 ] - [ 0.0004912300000000, 0.0007202300000000, -0.0001224200000000 ] - [ 0.0004922800000000, 0.0002675400000000, 0.0002335600000000 ] - [ 0.0003991200000000, 0.0003589600000000, 0.0001917400000000 ] - [ -0.0013508200000000, -0.0014964600000000, 0.0012872700000000 ] - [ -0.0001528200000000, 0.0004589900000000, 0.0000875300000000 ] - [ -0.0006273600000000, -0.0014960100000000, -0.0018024600000000 ] - [ -0.0001098300000000, -0.0002722900000000, -0.0000531800000000 ] - [ -0.0002606100000000, 0.0001489400000000, -0.0002276500000000 ] - [ -0.0004349400000000, -0.0000672400000000, -0.0000477100000000 ] - [ 0.0151440600000000, -0.0014443500000000, -0.0088842000000000 ] - [ -0.0002698100000000, 0.0000042000000000, -0.0000386300000000 ] - [ -0.0027251000000000, -0.0001921500000000, 0.0005341700000000 ] - [ -0.0001625400000000, 0.0003732700000000, 0.0000266700000000 ] - [ -0.0006202700000000, -0.0005091800000000, -0.0006860700000000 ] - [ 0.0001887700000000, -0.0001420300000000, 0.0000550700000000 ] - [ -0.0003727000000000, 0.0006590300000000, -0.0006064600000000 ] - [ 0.0001264600000000, 0.0002483000000000, -0.0001653400000000 ] - [ 0.0001203900000000, -0.0012925100000000, 0.0006102900000000 ] - [ -0.0000674200000000, -0.0004389900000000, -0.0001562000000000 ] - [ 0.0012740500000000, -0.0003905900000000, -0.0009716700000000 ] - [ -0.0002334700000000, 0.0004324900000000, 0.0002135900000000 ] - [ -0.0299571800000000, 0.0258315600000000, 0.0070201800000000 ] - [ 0.0004419300000000, -0.0002379400000000, -0.0002102000000000 ] - [ 0.0000643300000000, 0.0000599700000000, 0.0010813900000000 ] - [ -0.0000183800000000, 0.0002752200000000, -0.0001689400000000 ] - [ -0.0008667900000000, 0.0009008600000000, 0.0001288200000000 ] - [ -0.0001693900000000, 0.0001932300000000, 0.0000510800000000 ] - [ -0.0064131300000000, -0.0019053000000000, 0.0012724000000000 ] - [ -0.0001602600000000, 0.0000033200000000, 0.0001286800000000 ] - [ 0.0054943000000000, 0.0083924200000000, -0.0072982500000000 ] - [ 0.0000599700000000, 0.0000019700000000, 0.0002734600000000 ] - [ 0.0010340400000000, -0.0006755500000000, 0.0011153800000000 ] - [ 0.0001961100000000, -0.0005467800000000, 0.0002679900000000 ] - [ 0.0005057100000000, 0.0006576000000000, 0.0014548300000000 ] - [ -0.0002740600000000, 0.0007221700000000, 0.0001040100000000 ] - [ -0.0006529100000000, -0.0001979600000000, -0.0005356600000000 ] - [ -0.0004530200000000, 0.0000013600000000, -0.0005544700000000 ] - [ -0.0051343500000000, -0.0025636900000000, -0.0031616600000000 ] - [ 0.0001186500000000, -0.0002134600000000, 0.0004502700000000 ] - [ 0.0117728900000000, 0.0040435500000000, 0.0062659900000000 ] - [ -0.0002501600000000, -0.0003881900000000, 0.0001146700000000 ] - [ 0.0001201600000000, 0.0005276800000000, 0.0004074300000000 ] - [ 0.0000027900000000, -0.0005761000000000, 0.0006606500000000 ] - [ -0.0013020400000000, 0.0013605500000000, -0.0017934500000000 ] - [ -0.0002291300000000, -0.0001761000000000, -0.0000575700000000 ] - [ -0.0020105800000000, -0.0004135400000000, -0.0015800600000000 ] - [ -0.0005964600000000, -0.0005124000000000, 0.0000851100000000 ] - [ -0.0006007000000000, -0.0004269800000000, -0.0015055200000000 ] - [ -0.0000529800000000, 0.0003939800000000, -0.0004295100000000 ] - [ 0.0001059500000000, 0.0021273500000000, -0.0012891400000000 ] - [ -0.0000445400000000, -0.0003211800000000, -0.0001097000000000 ] - [ -0.0033059200000000, 0.0005612100000000, 0.0000534100000000 ] - [ -0.0001205900000000, 0.0004578000000000, -0.0001097400000000 ] - [ -0.0004146100000000, 0.0002691500000000, -0.0002953300000000 ] - [ -0.0003265700000000, 0.0002178500000000, 0.0000040400000000 ] - [ -0.0005376200000000, 0.0009586800000000, 0.0002198400000000 ] - [ -0.0009172400000000, -0.0001595500000000, -0.0003882800000000 ] - [ 0.0005638600000000, -0.0005697600000000, -0.0009723200000000 ] - [ 0.0004220600000000, -0.0007649800000000, -0.0003445800000000 ] - [ -0.0017270000000000, -0.0018590300000000, -0.0023275900000000 ] - [ 0.0001759100000000, 0.0001633300000000, -0.0001295200000000 ]- atom: 63 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0012631000000000, -0.0042813300000000, 0.0017605400000000 ] - [ -0.0043776000000000, -0.0064847200000000, -0.0034117900000000 ] - [ 0.0023082000000000, 0.0008828600000000, -0.0032953700000000 ] - [ 0.0004020100000000, -0.0015683700000000, 0.0000479100000000 ] - [ 0.0022559900000000, 0.0027548500000000, -0.0011396000000000 ] - [ -0.0004413600000000, -0.0016609300000000, 0.0001064000000000 ] - [ -0.0007894200000000, 0.0105626300000000, 0.0016338800000000 ] - [ 0.0001222200000000, -0.0031184200000000, -0.0000670600000000 ] - [ 0.0000062200000000, 0.0001838700000000, 0.0003575300000000 ] - [ 0.0004552600000000, -0.0017682100000000, -0.0002846800000000 ] - [ 0.0004324600000000, 0.0062305500000000, 0.0010742800000000 ] - [ -0.0004544900000000, -0.0024029300000000, -0.0002542500000000 ] - [ 0.0002492600000000, -0.0000051300000000, -0.0007115900000000 ] - [ 0.0012874500000000, -0.0017252000000000, 0.0005038600000000 ] - [ -0.0002332100000000, -0.0008332400000000, -0.0001232700000000 ] - [ 0.0014764400000000, 0.0010490200000000, -0.0006932700000000 ] - [ 0.0003747700000000, -0.0009394100000000, -0.0004187100000000 ] - [ -0.0001852200000000, -0.0005736900000000, 0.0000709000000000 ] - [ -0.0004564800000000, 0.0012942100000000, -0.0003730600000000 ] - [ -0.0007846100000000, -0.0016551700000000, -0.0005787500000000 ] - [ -0.0008384600000000, 0.0009063000000000, 0.0011379200000000 ] - [ -0.0002313400000000, -0.0020935200000000, -0.0004918800000000 ] - [ 0.0006589800000000, 0.0026550600000000, 0.0019662700000000 ] - [ -0.0007875800000000, -0.0018998600000000, -0.0006186700000000 ] - [ 0.0014064800000000, 0.0036322600000000, -0.0005024700000000 ] - [ -0.0003522200000000, -0.0014016100000000, -0.0003818000000000 ] - [ 0.0015821400000000, 0.0006097000000000, 0.0003294000000000 ] - [ -0.0005369100000000, -0.0011248300000000, -0.0010044800000000 ] - [ -0.0032295600000000, -0.0139640700000000, -0.0015147000000000 ] - [ -0.0000338600000000, -0.0054488300000000, 0.0022326400000000 ] - [ 0.0129171600000000, -0.0140914400000000, 0.0136128400000000 ] - [ -0.0009794500000000, -0.0053050300000000, 0.0006711400000000 ] - [ -0.0006121000000000, 0.0010029300000000, -0.0026422700000000 ] - [ 0.0006120700000000, -0.0014304400000000, 0.0008694900000000 ] - [ -0.0036860200000000, 0.1412527700000000, 0.0971441600000000 ] - [ 0.0002819900000000, -0.0041639600000000, 0.0004607100000000 ] - [ -0.0006333300000000, 0.0029681000000000, 0.0004219800000000 ] - [ -0.0002467500000000, -0.0028799600000000, -0.0003953400000000 ] - [ 0.0097467900000000, 0.0117006600000000, 0.0061408600000000 ] - [ -0.0001408700000000, -0.0014828800000000, -0.0005551900000000 ] - [ -0.0008551200000000, 0.0029089400000000, 0.0015914600000000 ] - [ 0.0005231500000000, -0.0022002200000000, 0.0002775000000000 ] - [ 0.0020180100000000, 0.0049375300000000, 0.0003388400000000 ] - [ 0.0001084800000000, -0.0017350900000000, 0.0003689900000000 ] - [ -0.0215816900000000, 0.1017262500000000, -0.0110898000000000 ] - [ -0.0007650000000000, -0.0036817200000000, -0.0005366800000000 ] - [ -0.0007487200000000, 0.0015804700000000, 0.0002747500000000 ] - [ 0.0001111800000000, -0.0025385600000000, -0.0001465400000000 ] - [ -0.0009936200000000, -0.0046221600000000, -0.0010790200000000 ] - [ 0.0006006000000000, -0.0024851900000000, 0.0046570200000000 ] - [ -0.0012979800000000, 0.0032235300000000, -0.0015003200000000 ] - [ 0.0000263100000000, -0.0013319200000000, 0.0010992000000000 ] - [ -0.0028960600000000, 0.0272191900000000, 0.0088542600000000 ] - [ 0.0002063100000000, -0.0027883000000000, -0.0002573800000000 ] - [ -0.0008930500000000, -0.0006597900000000, 0.0004541000000000 ] - [ 0.0029938300000000, -0.0021382000000000, 0.0008802800000000 ] - [ -0.0073708300000000, 0.0020644700000000, -0.0008458600000000 ] - [ 0.0004676500000000, 0.0008451300000000, -0.0003172000000000 ] - [ -0.0001062600000000, -0.0008633100000000, 0.0005632600000000 ] - [ -0.0000966100000000, 0.0007951900000000, -0.0006666700000000 ] - [ 0.0002235700000000, 0.0012912800000000, -0.0007308000000000 ] - [ 0.0002615100000000, 0.0003296500000000, 0.0020440300000000 ] - [ 0.0540840700000000, -0.3897975000000000, -0.1379609600000000 ] - [ -0.0003430600000000, 0.0031560700000000, 0.0002865600000000 ] - [ 0.0079061000000000, 0.0571079900000000, 0.0221779800000000 ] - [ 0.0008715900000000, 0.0033941600000000, 0.0003220600000000 ] - [ 0.0011910700000000, -0.0015738800000000, 0.0020662700000000 ] - [ -0.0003696300000000, 0.0014607400000000, -0.0002610000000000 ] - [ 0.0010715300000000, -0.0007699100000000, -0.0003353300000000 ] - [ -0.0002099200000000, 0.0018398100000000, -0.0002185900000000 ] - [ 0.0009315800000000, 0.0074948700000000, -0.0018832800000000 ] - [ -0.0005628300000000, 0.0074664400000000, -0.0033972700000000 ] - [ 0.0024099900000000, 0.0061049500000000, 0.0042925000000000 ] - [ 0.0003230000000000, 0.0017344500000000, -0.0012662800000000 ] - [ 0.0014572100000000, -0.0012343300000000, -0.0002546000000000 ] - [ 0.0001088600000000, 0.0019810600000000, -0.0006268800000000 ] - [ 0.0003228600000000, 0.0011532400000000, -0.0002569700000000 ] - [ -0.0002166900000000, 0.0016241100000000, 0.0001549800000000 ] - [ 0.0007961800000000, -0.0019525700000000, -0.0018784700000000 ] - [ 0.0000439200000000, 0.0019171700000000, 0.0005730900000000 ] - [ -0.0001005500000000, -0.0025935100000000, -0.0017116800000000 ] - [ -0.0000690000000000, 0.0010297900000000, 0.0009819100000000 ] - [ 0.0001217500000000, 0.0005638800000000, -0.0004816900000000 ] - [ -0.0015322800000000, 0.0002643800000000, 0.0003142100000000 ] - [ 0.0053241000000000, -0.0218407900000000, 0.0194787100000000 ] - [ -0.0007002400000000, 0.0020774700000000, -0.0006932600000000 ] - [ -0.0005742100000000, -0.0020847000000000, -0.0012491000000000 ] - [ -0.0001541700000000, 0.0015090000000000, 0.0005194000000000 ] - [ -0.0006653600000000, -0.0005514200000000, -0.0013302700000000 ] - [ 0.0004742500000000, 0.0011080300000000, 0.0009531500000000 ] - [ -0.0007368500000000, 0.0009475900000000, -0.0001795900000000 ] - [ 0.0007772900000000, 0.0012728200000000, 0.0004926400000000 ] - [ -0.0008439500000000, -0.0026317600000000, 0.0006410500000000 ] - [ 0.0000029500000000, 0.0010934600000000, -0.0004981400000000 ] - [ -0.0009781000000000, -0.0012936400000000, 0.0010373900000000 ] - [ 0.0001553700000000, 0.0015131700000000, 0.0004712100000000 ] - [ -0.0324839600000000, 0.0095244400000000, 0.0033764200000000 ] - [ 0.0010444700000000, 0.0009475400000000, 0.0000847100000000 ] - [ -0.0005452200000000, -0.0021785000000000, -0.0005275300000000 ] - [ 0.0000034600000000, 0.0015967100000000, 0.0000323200000000 ] - [ -0.0003184500000000, 0.0006570500000000, 0.0001511800000000 ] - [ -0.0001096400000000, 0.0012355500000000, -0.0003905800000000 ] - [ -0.0052692800000000, -0.0034150900000000, 0.0003039200000000 ] - [ 0.0002047300000000, 0.0009442000000000, 0.0003619500000000 ] - [ -0.0124798200000000, 0.0182050800000000, -0.0333224200000000 ] - [ 0.0001328500000000, 0.0018015300000000, 0.0006750200000000 ] - [ 0.0002379100000000, -0.0017973600000000, 0.0006018100000000 ] - [ 0.0001033500000000, 0.0010853800000000, 0.0006001200000000 ] - [ -0.0011234100000000, -0.0039111700000000, -0.0001237800000000 ] - [ 0.0000078100000000, 0.0028377100000000, 0.0005770200000000 ] - [ 0.0003296300000000, 0.0001364700000000, -0.0005745800000000 ] - [ -0.0013948200000000, 0.0011721900000000, -0.0015164700000000 ] - [ -0.0007262600000000, -0.0055880600000000, -0.0031431600000000 ] - [ 0.0006213800000000, 0.0009680300000000, 0.0011286100000000 ] - [ -0.0047178700000000, 0.0611306000000000, 0.0240939600000000 ] - [ -0.0007416600000000, 0.0030609300000000, -0.0009759100000000 ] - [ -0.0001509200000000, 0.0013344200000000, 0.0003452200000000 ] - [ -0.0001341900000000, 0.0001234400000000, 0.0002576200000000 ] - [ 0.0000861900000000, -0.0030129100000000, 0.0013048900000000 ] - [ 0.0000276000000000, 0.0011166500000000, -0.0005377800000000 ] - [ 0.0005882300000000, -0.0057844100000000, -0.0005583100000000 ] - [ -0.0009517600000000, 0.0007478400000000, -0.0002887200000000 ] - [ -0.0005220800000000, -0.0004977700000000, -0.0007421400000000 ] - [ 0.0004927500000000, 0.0014797900000000, 0.0001794300000000 ] - [ -0.0029030300000000, 0.0034802500000000, -0.0075513600000000 ] - [ 0.0002787500000000, 0.0022960900000000, -0.0003461000000000 ] - [ -0.0004004600000000, -0.0024489500000000, 0.0013686000000000 ] - [ -0.0000456400000000, 0.0016635300000000, -0.0008784600000000 ] - [ 0.0012146200000000, -0.0007749900000000, 0.0015500500000000 ] - [ -0.0003973400000000, 0.0010697600000000, -0.0003046800000000 ] - [ -0.0006063800000000, 0.0017255800000000, 0.0006416200000000 ] - [ 0.0005453200000000, 0.0005678200000000, -0.0005120100000000 ] - [ -0.0000519900000000, -0.0015767600000000, -0.0025419000000000 ] - [ 0.0013869400000000, 0.0013977600000000, 0.0015748000000000 ] - [ 0.0002344100000000, -0.0012540600000000, -0.0001403900000000 ] - [ 0.0004731700000000, 0.0011832600000000, 0.0001692900000000 ]- atom: 63 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007801700000000, 0.0036261700000000, -0.0016434000000000 ] - [ 0.0048681300000000, 0.0058362500000000, 0.0035347500000000 ] - [ -0.0018227400000000, -0.0002189300000000, 0.0033800100000000 ] - [ 0.0000711400000000, 0.0022145700000000, 0.0000554100000000 ] - [ -0.0027277500000000, -0.0021144500000000, 0.0010380600000000 ] - [ -0.0000312600000000, 0.0023124800000000, -0.0002097600000000 ] - [ 0.0001614600000000, -0.0111744300000000, -0.0018832000000000 ] - [ -0.0005953500000000, 0.0024577900000000, -0.0000381900000000 ] - [ 0.0003435200000000, 0.0007155900000000, -0.0005924700000000 ] - [ -0.0001016600000000, 0.0026448600000000, 0.0000540000000000 ] - [ -0.0007889300000000, -0.0053455300000000, -0.0008291000000000 ] - [ 0.0001013500000000, 0.0032826100000000, 0.0004866300000000 ] - [ 0.0003154700000000, -0.0004910400000000, 0.0001789400000000 ] - [ -0.0007187600000000, 0.0012113900000000, -0.0010255400000000 ] - [ 0.0001707400000000, 0.0021851800000000, 0.0002130200000000 ] - [ -0.0015365500000000, 0.0002874600000000, 0.0007929000000000 ] - [ -0.0005705700000000, 0.0018307000000000, 0.0002058000000000 ] - [ -0.0000113900000000, 0.0014519800000000, -0.0002898300000000 ] - [ -0.0003475100000000, -0.0014897600000000, 0.0001625300000000 ] - [ -0.0000172600000000, 0.0014335600000000, 0.0003559300000000 ] - [ 0.0005800500000000, -0.0007145400000000, -0.0013431300000000 ] - [ -0.0000219800000000, 0.0023055900000000, 0.0002975900000000 ] - [ -0.0012260400000000, -0.0031652900000000, -0.0014399200000000 ] - [ 0.0002180300000000, 0.0013885200000000, 0.0011401900000000 ] - [ -0.0013517500000000, -0.0022585800000000, 0.0004050800000000 ] - [ 0.0004131800000000, 0.0027466200000000, 0.0002875500000000 ] - [ -0.0010053300000000, -0.0000911500000000, -0.0008435900000000 ] - [ 0.0011069100000000, 0.0016284700000000, 0.0004795800000000 ] - [ 0.0035882900000000, 0.0130530800000000, 0.0013107400000000 ] - [ 0.0003851100000000, 0.0045592200000000, -0.0024760900000000 ] - [ -0.0128948700000000, 0.0127378200000000, -0.0137977700000000 ] - [ 0.0010281800000000, 0.0039305100000000, -0.0007604700000000 ] - [ 0.0014145300000000, -0.0012479100000000, 0.0028645500000000 ] - [ 0.0001880200000000, 0.0012124300000000, -0.0006470600000000 ] - [ 0.0028299400000000, -0.1461718100000000, -0.1038972800000000 ] - [ -0.0006331100000000, 0.0032689900000000, -0.0002245200000000 ] - [ 0.0008202500000000, -0.0038700100000000, -0.0001990500000000 ] - [ 0.0004388300000000, 0.0019860300000000, 0.0006059900000000 ] - [ -0.0089145000000000, -0.0114127400000000, -0.0058879400000000 ] - [ 0.0009413200000000, 0.0016964700000000, 0.0007743000000000 ] - [ 0.0011073200000000, -0.0026583600000000, -0.0014051600000000 ] - [ -0.0002670600000000, 0.0024096400000000, -0.0000825300000000 ] - [ -0.0017903400000000, -0.0040392700000000, -0.0001288300000000 ] - [ 0.0000873700000000, 0.0026172800000000, -0.0001538600000000 ] - [ 0.0177266700000000, -0.0939403400000000, 0.0104693300000000 ] - [ 0.0007056700000000, 0.0023255600000000, 0.0006288800000000 ] - [ 0.0005580900000000, -0.0024430800000000, -0.0004890600000000 ] - [ -0.0003089900000000, 0.0016456400000000, -0.0000652900000000 ] - [ 0.0012413000000000, 0.0043802900000000, 0.0012642600000000 ] - [ -0.0003451200000000, 0.0022524300000000, -0.0044681000000000 ] - [ 0.0007364000000000, -0.0027233300000000, 0.0020263800000000 ] - [ -0.0005967400000000, 0.0018369300000000, -0.0005731300000000 ] - [ 0.0025955400000000, -0.0272214300000000, -0.0090302900000000 ] - [ -0.0004605300000000, 0.0025669000000000, 0.0000662900000000 ] - [ 0.0000851200000000, 0.0008796800000000, -0.0006742800000000 ] - [ -0.0037929000000000, 0.0023526700000000, -0.0011012000000000 ] - [ 0.0067816500000000, -0.0027311800000000, 0.0013010400000000 ] - [ -0.0010709500000000, -0.0015196000000000, 0.0007617600000000 ] - [ 0.0002543000000000, 0.0001544100000000, -0.0004810200000000 ] - [ 0.0002492500000000, -0.0014885300000000, 0.0007350600000000 ] - [ 0.0003895700000000, -0.0006165900000000, 0.0002832300000000 ] - [ 0.0003477400000000, 0.0003586700000000, -0.0025009200000000 ] - [ -0.0497361700000000, 0.3851475100000000, 0.1454036800000000 ] - [ 0.0000334900000000, -0.0019584700000000, -0.0007481800000000 ] - [ -0.0071221700000000, -0.0568163600000000, -0.0216876900000000 ] - [ -0.0002141700000000, -0.0044145800000000, -0.0003790100000000 ] - [ -0.0010647500000000, 0.0022281900000000, -0.0012394000000000 ] - [ 0.0004980200000000, -0.0008180100000000, 0.0010900100000000 ] - [ -0.0005540800000000, 0.0010580700000000, 0.0004029600000000 ] - [ 0.0007191200000000, -0.0015311700000000, 0.0002780200000000 ] - [ -0.0006247900000000, -0.0062589600000000, 0.0023243100000000 ] - [ 0.0008771700000000, -0.0062800100000000, 0.0038770900000000 ] - [ -0.0018765100000000, -0.0063523900000000, -0.0041907100000000 ] - [ 0.0001886800000000, -0.0020302600000000, 0.0013373100000000 ] - [ -0.0003587300000000, 0.0024511100000000, 0.0000750400000000 ] - [ 0.0010040100000000, -0.0007451800000000, 0.0004388900000000 ] - [ 0.0003356800000000, -0.0001399000000000, 0.0001997300000000 ] - [ 0.0008728300000000, -0.0005916800000000, -0.0002192700000000 ] - [ -0.0012953700000000, 0.0022724700000000, 0.0018146500000000 ] - [ -0.0005538400000000, -0.0016115200000000, -0.0006335200000000 ] - [ -0.0000500500000000, 0.0018983800000000, 0.0016363400000000 ] - [ -0.0000836600000000, -0.0017243500000000, -0.0010490500000000 ] - [ 0.0002474000000000, -0.0007038300000000, 0.0002387200000000 ] - [ 0.0018988600000000, -0.0003979500000000, -0.0005585300000000 ] - [ -0.0056918900000000, 0.0216712800000000, -0.0191686000000000 ] - [ 0.0001888700000000, -0.0023775300000000, 0.0006275800000000 ] - [ 0.0002977600000000, 0.0026278200000000, 0.0012545300000000 ] - [ -0.0001173000000000, -0.0009637500000000, -0.0005124200000000 ] - [ 0.0009326200000000, -0.0000039600000000, 0.0013113100000000 ] - [ -0.0002042300000000, -0.0016491500000000, -0.0009615700000000 ] - [ 0.0008874800000000, -0.0002568100000000, 0.0002434400000000 ] - [ -0.0006290600000000, -0.0005719600000000, -0.0004180700000000 ] - [ 0.0005312600000000, 0.0014462700000000, -0.0011073600000000 ] - [ -0.0003124600000000, -0.0022868900000000, 0.0000347100000000 ] - [ 0.0003698900000000, 0.0019504300000000, -0.0005982500000000 ] - [ -0.0007667300000000, -0.0008353500000000, -0.0000238600000000 ] - [ 0.0327348400000000, -0.0101875700000000, -0.0037893000000000 ] - [ -0.0004315700000000, -0.0016219300000000, -0.0005311900000000 ] - [ 0.0004885000000000, 0.0025187800000000, 0.0001233800000000 ] - [ -0.0000559200000000, -0.0012408900000000, -0.0004376100000000 ] - [ 0.0005880200000000, -0.0001177700000000, -0.0001545000000000 ] - [ 0.0003818400000000, -0.0006877900000000, 0.0003822100000000 ] - [ 0.0048580800000000, 0.0032538900000000, -0.0000588600000000 ] - [ -0.0005705700000000, -0.0010796500000000, -0.0001198200000000 ] - [ 0.0123410400000000, -0.0183411100000000, 0.0332795800000000 ] - [ -0.0000805300000000, -0.0021541700000000, -0.0002692800000000 ] - [ 0.0000758300000000, 0.0005843500000000, -0.0001345400000000 ] - [ 0.0002062700000000, -0.0022771900000000, -0.0001353000000000 ] - [ 0.0004692800000000, 0.0049220500000000, 0.0001793100000000 ] - [ -0.0006650500000000, -0.0018107500000000, -0.0005157400000000 ] - [ -0.0004521700000000, -0.0007837400000000, -0.0002515000000000 ] - [ 0.0012643500000000, -0.0018120000000000, 0.0006876000000000 ] - [ 0.0008643900000000, 0.0049242600000000, 0.0039553500000000 ] - [ -0.0004906000000000, -0.0016088200000000, -0.0002986100000000 ] - [ 0.0041450500000000, -0.0633077500000000, -0.0246174900000000 ] - [ 0.0000830800000000, -0.0040723600000000, 0.0010305000000000 ] - [ 0.0002013900000000, -0.0009805800000000, 0.0000631500000000 ] - [ 0.0001860800000000, 0.0002394500000000, 0.0001468400000000 ] - [ -0.0003611300000000, 0.0024841000000000, -0.0013076700000000 ] - [ -0.0002973700000000, -0.0016578400000000, 0.0005431100000000 ] - [ -0.0016928500000000, 0.0045079000000000, 0.0007379400000000 ] - [ -0.0001633400000000, -0.0019775500000000, 0.0004727300000000 ] - [ 0.0003887600000000, 0.0011267300000000, -0.0000976400000000 ] - [ -0.0006212800000000, -0.0008353500000000, -0.0010076200000000 ] - [ 0.0028650700000000, -0.0038440600000000, 0.0071795300000000 ] - [ -0.0003286100000000, -0.0026378400000000, -0.0000611500000000 ] - [ 0.0002232600000000, 0.0031480100000000, -0.0014356800000000 ] - [ -0.0001045000000000, -0.0009643000000000, 0.0008050000000000 ] - [ -0.0015788200000000, 0.0009263700000000, -0.0013127500000000 ] - [ 0.0000317200000000, -0.0009328100000000, 0.0005458400000000 ] - [ -0.0005103500000000, -0.0004943300000000, -0.0004551200000000 ] - [ -0.0016583900000000, 0.0006747100000000, 0.0007074000000000 ] - [ 0.0011704300000000, 0.0003529500000000, 0.0023591700000000 ] - [ -0.0002674900000000, -0.0026214000000000, -0.0017486200000000 ] - [ 0.0001208300000000, 0.0013619400000000, -0.0001187400000000 ] - [ -0.0001051200000000, -0.0010439800000000, -0.0004105500000000 ]- atom: 63 displacement: [ -0.0045139598196510, 0.0000000000000000, 0.0089232374588249 ] forces: - [ 0.0001271900000000, 0.0011077700000000, 0.0010446700000000 ] - [ -0.0013833300000000, -0.0029729800000000, -0.0006846600000000 ] - [ 0.0027837300000000, -0.0005104800000000, -0.0036139200000000 ] - [ 0.0003298900000000, 0.0000599400000000, 0.0000136600000000 ] - [ 0.0011763700000000, 0.0006291300000000, -0.0006434200000000 ] - [ -0.0002513200000000, -0.0000771600000000, 0.0000048600000000 ] - [ 0.0035026600000000, 0.0032227000000000, 0.0085142900000000 ] - [ -0.0001817600000000, -0.0009460000000000, -0.0000577000000000 ] - [ 0.0004609700000000, 0.0004584000000000, -0.0009117300000000 ] - [ 0.0002795900000000, -0.0000837500000000, -0.0002253800000000 ] - [ 0.0011596000000000, 0.0024774700000000, -0.0037533700000000 ] - [ -0.0002251100000000, -0.0001559400000000, -0.0000441800000000 ] - [ 0.0005968300000000, 0.0000475000000000, -0.0011966100000000 ] - [ 0.0005595300000000, -0.0005171400000000, -0.0002860600000000 ] - [ 0.0002125900000000, 0.0004136900000000, -0.0003834300000000 ] - [ 0.0012657800000000, 0.0008252300000000, -0.0012050600000000 ] - [ -0.0000859200000000, -0.0000986300000000, 0.0003829700000000 ] - [ 0.0001910300000000, 0.0006763900000000, 0.0003109500000000 ] - [ -0.0017159500000000, -0.0010206800000000, -0.0012756900000000 ] - [ -0.0005297500000000, -0.0004057400000000, -0.0002564700000000 ] - [ 0.0005884400000000, 0.0031264200000000, 0.0007949200000000 ] - [ -0.0000993200000000, -0.0005278300000000, -0.0001326700000000 ] - [ 0.0003681300000000, 0.0010406200000000, 0.0011454400000000 ] - [ -0.0004090600000000, -0.0005937100000000, 0.0001077900000000 ] - [ 0.0013762400000000, 0.0006386200000000, -0.0030707000000000 ] - [ -0.0000495200000000, 0.0002604600000000, -0.0001339100000000 ] - [ -0.0012796200000000, 0.0001691600000000, 0.0007055300000000 ] - [ -0.0001076100000000, -0.0000497200000000, -0.0003595800000000 ] - [ -0.0003564300000000, -0.0054971300000000, -0.0011326400000000 ] - [ 0.0001861800000000, -0.0014230700000000, 0.0012604700000000 ] - [ 0.0045400000000000, -0.0049130200000000, 0.0074843900000000 ] - [ -0.0002918800000000, -0.0020086100000000, 0.0002571700000000 ] - [ -0.0001514100000000, -0.0017331100000000, -0.0025377400000000 ] - [ 0.0003819300000000, -0.0001563600000000, 0.0000588200000000 ] - [ -0.0121157700000000, 0.0846330400000000, 0.1573138400000000 ] - [ -0.0000716200000000, -0.0012165500000000, 0.0002383600000000 ] - [ -0.0016037300000000, 0.0008550200000000, -0.0008625900000000 ] - [ -0.0002985500000000, -0.0009460700000000, -0.0001209700000000 ] - [ 0.0089069500000000, 0.0070951300000000, 0.0049999000000000 ] - [ 0.0002764300000000, -0.0002208100000000, -0.0000000400000000 ] - [ 0.0012786300000000, 0.0011620200000000, 0.0008803400000000 ] - [ 0.0002226400000000, -0.0004030400000000, 0.0001462900000000 ] - [ 0.0022205000000000, 0.0010599300000000, 0.0015931000000000 ] - [ 0.0001140600000000, -0.0000070700000000, 0.0001526200000000 ] - [ -0.0171520600000000, 0.0001633200000000, 0.0451706800000000 ] - [ -0.0001946200000000, -0.0013289500000000, 0.0000267800000000 ] - [ -0.0043448600000000, 0.0022555200000000, -0.0030842100000000 ] - [ -0.0000565700000000, -0.0009675000000000, -0.0002686000000000 ] - [ -0.0003913500000000, -0.0017772200000000, -0.0004326900000000 ] - [ 0.0000511200000000, 0.0006196600000000, -0.0005515100000000 ] - [ -0.0022522500000000, 0.0016607800000000, -0.0017653200000000 ] - [ -0.0002983400000000, -0.0000270300000000, 0.0003816700000000 ] - [ -0.0065229900000000, 0.0172613900000000, -0.0054664900000000 ] - [ -0.0000624500000000, -0.0007086400000000, -0.0001726800000000 ] - [ -0.0005185300000000, -0.0000658200000000, 0.0001267900000000 ] - [ 0.0006454400000000, -0.0005423600000000, 0.0002895400000000 ] - [ -0.0026463400000000, 0.0006449800000000, -0.0005987600000000 ] - [ -0.0000398300000000, -0.0000337500000000, 0.0000310300000000 ] - [ -0.0000266100000000, -0.0012794000000000, 0.0018255300000000 ] - [ 0.0000189700000000, -0.0001197300000000, 0.0000216500000000 ] - [ 0.0001348300000000, 0.0002706300000000, -0.0000810600000000 ] - [ -0.0003589100000000, 0.0009252200000000, 0.0008979600000000 ] - [ 0.0096919600000000, -0.1459619400000000, -0.2639789000000000 ] - [ -0.0002000200000000, 0.0011390200000000, -0.0001660700000000 ] - [ 0.0064580200000000, 0.0238915900000000, 0.0021063600000000 ] - [ 0.0004435000000000, 0.0003272800000000, -0.0001210500000000 ] - [ 0.0009289700000000, -0.0003217500000000, 0.0021852600000000 ] - [ 0.0000130300000000, 0.0004604500000000, 0.0004211900000000 ] - [ 0.0001023300000000, -0.0002041200000000, 0.0002500000000000 ] - [ 0.0001372700000000, 0.0005245400000000, -0.0000072000000000 ] - [ 0.0002419800000000, 0.0035044200000000, -0.0012184700000000 ] - [ -0.0004375300000000, 0.0028188100000000, -0.0015657300000000 ] - [ 0.0009122200000000, 0.0021062200000000, 0.0014754800000000 ] - [ 0.0000793900000000, -0.0005339100000000, -0.0004556400000000 ] - [ -0.0004867100000000, 0.0005484200000000, -0.0010773900000000 ] - [ 0.0004545300000000, 0.0009035800000000, -0.0002139300000000 ] - [ 0.0002235500000000, 0.0005942800000000, 0.0001089800000000 ] - [ 0.0000281500000000, 0.0007341700000000, 0.0001727800000000 ] - [ -0.0022716800000000, -0.0025449600000000, 0.0013274200000000 ] - [ -0.0001888000000000, 0.0005908800000000, 0.0001298800000000 ] - [ 0.0000941700000000, -0.0012189100000000, -0.0006204200000000 ] - [ -0.0000200800000000, -0.0000618500000000, 0.0001852800000000 ] - [ 0.0001844200000000, 0.0000818200000000, -0.0003372400000000 ] - [ -0.0004923100000000, -0.0000132700000000, -0.0000651400000000 ] - [ 0.0183633200000000, 0.0051037600000000, 0.0481911700000000 ] - [ -0.0003648900000000, 0.0003361700000000, -0.0001944900000000 ] - [ -0.0006329200000000, -0.0004321800000000, -0.0006819800000000 ] - [ -0.0001308400000000, 0.0005373500000000, 0.0000992900000000 ] - [ 0.0020486900000000, -0.0011431700000000, 0.0001666800000000 ] - [ 0.0003696900000000, 0.0001946400000000, 0.0002678400000000 ] - [ 0.0003413800000000, 0.0004629200000000, -0.0007405500000000 ] - [ 0.0003972000000000, 0.0004559900000000, -0.0001144600000000 ] - [ -0.0007715600000000, -0.0016872700000000, 0.0016343600000000 ] - [ -0.0001822200000000, -0.0002899000000000, -0.0002021900000000 ] - [ -0.0004245100000000, 0.0010956700000000, 0.0024327900000000 ] - [ -0.0001993200000000, 0.0005781400000000, 0.0002892900000000 ] - [ -0.0262483400000000, 0.0184670800000000, -0.0025345800000000 ] - [ 0.0004837200000000, -0.0000786800000000, -0.0001933800000000 ] - [ -0.0011573300000000, -0.0006771400000000, 0.0008898500000000 ] - [ -0.0000221900000000, 0.0004772300000000, -0.0001388100000000 ] - [ -0.0005272600000000, 0.0006968100000000, 0.0002310400000000 ] - [ -0.0000328600000000, 0.0003458300000000, -0.0000501800000000 ] - [ -0.0041577600000000, -0.0017992800000000, 0.0004429800000000 ] - [ -0.0001058100000000, 0.0001290800000000, 0.0001574300000000 ] - [ 0.0104364400000000, -0.0220937700000000, 0.0044423600000000 ] - [ 0.0000500800000000, 0.0003274100000000, 0.0002664800000000 ] - [ -0.0002367700000000, -0.0002987400000000, 0.0012281900000000 ] - [ 0.0001423100000000, -0.0002510700000000, 0.0003659500000000 ] - [ -0.0015612900000000, -0.0000354700000000, 0.0021031100000000 ] - [ -0.0002576000000000, 0.0009892700000000, 0.0001614400000000 ] - [ 0.0000546600000000, -0.0002467400000000, -0.0003277300000000 ] - [ -0.0003269700000000, 0.0000048600000000, -0.0007333600000000 ] - [ -0.0008293500000000, -0.0026830300000000, -0.0033136600000000 ] - [ 0.0001926800000000, -0.0000517000000000, 0.0005473100000000 ] - [ 0.0025628900000000, 0.0207198500000000, -0.0039785500000000 ] - [ -0.0005542700000000, 0.0003188600000000, -0.0003831000000000 ] - [ -0.0001197800000000, 0.0006271700000000, 0.0004439300000000 ] - [ -0.0002007600000000, -0.0007225000000000, 0.0010614700000000 ] - [ 0.0010849100000000, -0.0017899600000000, 0.0016559800000000 ] - [ -0.0000221100000000, 0.0000002300000000, -0.0000611300000000 ] - [ 0.0022451400000000, -0.0062297700000000, 0.0066166100000000 ] - [ -0.0006408500000000, -0.0003168000000000, 0.0000515000000000 ] - [ 0.0004816900000000, 0.0010050300000000, 0.0001696900000000 ] - [ 0.0001236100000000, 0.0005777400000000, -0.0002637900000000 ] - [ 0.0003037200000000, -0.0022219400000000, -0.0022345400000000 ] - [ 0.0000856600000000, 0.0005887100000000, -0.0003323800000000 ] - [ 0.0010814700000000, -0.0009745400000000, 0.0003098200000000 ] - [ -0.0000526800000000, 0.0006058600000000, -0.0001752400000000 ] - [ 0.0014188600000000, 0.0003836900000000, 0.0013762400000000 ] - [ -0.0000304300000000, 0.0000764200000000, 0.0001974500000000 ] - [ -0.0005538400000000, 0.0009087200000000, 0.0000860600000000 ] - [ -0.0005991500000000, -0.0001883400000000, -0.0008794000000000 ] - [ 0.0008987100000000, -0.0008803100000000, 0.0000443200000000 ] - [ 0.0009400000000000, 0.0000006700000000, 0.0005755700000000 ] - [ 0.0027552300000000, 0.0009701000000000, 0.0016291500000000 ] - [ 0.0003023900000000, 0.0003171800000000, -0.0000094300000000 ]- atom: 63 displacement: [ 0.0045139598196510, 0.0000000000000000, -0.0089232374588249 ] forces: - [ 0.0003372000000000, -0.0017428200000000, -0.0009496300000000 ] - [ 0.0018571200000000, 0.0023287100000000, 0.0007895400000000 ] - [ -0.0023227000000000, 0.0011584700000000, 0.0037381400000000 ] - [ 0.0001412800000000, 0.0006010700000000, 0.0000901200000000 ] - [ -0.0016559800000000, 0.0000235400000000, 0.0005405800000000 ] - [ -0.0002199900000000, 0.0007359800000000, -0.0001079100000000 ] - [ -0.0037757700000000, -0.0038821300000000, -0.0085737200000000 ] - [ -0.0002909500000000, 0.0003009600000000, -0.0000442700000000 ] - [ -0.0001063400000000, 0.0004204900000000, 0.0006774500000000 ] - [ 0.0000722900000000, 0.0009765400000000, -0.0000052300000000 ] - [ -0.0015100000000000, -0.0015983800000000, 0.0039765300000000 ] - [ -0.0001268700000000, 0.0010484100000000, 0.0002773400000000 ] - [ -0.0000280800000000, -0.0005579200000000, 0.0006749600000000 ] - [ 0.0000070700000000, 0.0000152600000000, -0.0002416700000000 ] - [ -0.0002729900000000, 0.0009394200000000, 0.0004790000000000 ] - [ -0.0013324900000000, 0.0005302900000000, 0.0012977900000000 ] - [ -0.0001123500000000, 0.0009863800000000, -0.0005978100000000 ] - [ -0.0003853000000000, 0.0002137700000000, -0.0005256100000000 ] - [ 0.0009123700000000, 0.0007913100000000, 0.0010498000000000 ] - [ -0.0002686200000000, 0.0001946600000000, 0.0000383400000000 ] - [ -0.0008404200000000, -0.0029025500000000, -0.0009839200000000 ] - [ -0.0001542400000000, 0.0007490000000000, -0.0000587300000000 ] - [ -0.0009479300000000, -0.0015651900000000, -0.0006304800000000 ] - [ -0.0001579300000000, 0.0000923400000000, 0.0004217300000000 ] - [ -0.0013158100000000, 0.0006923100000000, 0.0029714900000000 ] - [ 0.0001125600000000, 0.0010959100000000, 0.0000417600000000 ] - [ 0.0018401200000000, 0.0003328500000000, -0.0012367900000000 ] - [ 0.0006787000000000, 0.0005610600000000, -0.0001642700000000 ] - [ 0.0007414900000000, 0.0047070000000000, 0.0009026300000000 ] - [ 0.0001680500000000, 0.0005497700000000, -0.0014929300000000 ] - [ -0.0044822800000000, 0.0035810900000000, -0.0075766300000000 ] - [ 0.0003590900000000, 0.0006773700000000, -0.0003535000000000 ] - [ 0.0009527900000000, 0.0015367700000000, 0.0027696200000000 ] - [ 0.0004170300000000, -0.0000556700000000, 0.0001590600000000 ] - [ 0.0105314400000000, -0.0916603900000000, -0.1620059300000000 ] - [ -0.0002826800000000, 0.0003450100000000, -0.0000080500000000 ] - [ 0.0018110400000000, -0.0017417600000000, 0.0010738800000000 ] - [ 0.0004960000000000, 0.0000684300000000, 0.0003390800000000 ] - [ -0.0081752900000000, -0.0069122600000000, -0.0048053200000000 ] - [ 0.0005242700000000, 0.0004409900000000, 0.0002222800000000 ] - [ -0.0010253600000000, -0.0009655000000000, -0.0006955100000000 ] - [ 0.0000296800000000, 0.0006243300000000, 0.0000465300000000 ] - [ -0.0020410100000000, -0.0001938800000000, -0.0013705900000000 ] - [ 0.0000818400000000, 0.0008988800000000, 0.0000624200000000 ] - [ 0.0172210100000000, -0.0017269300000000, -0.0448507900000000 ] - [ 0.0001338900000000, -0.0000126200000000, 0.0000683900000000 ] - [ 0.0041505800000000, -0.0031559700000000, 0.0028665400000000 ] - [ -0.0001398300000000, 0.0000896200000000, 0.0000533900000000 ] - [ 0.0006489500000000, 0.0015800800000000, 0.0006312900000000 ] - [ 0.0002010700000000, -0.0008274100000000, 0.0007421300000000 ] - [ 0.0016852500000000, -0.0011593300000000, 0.0022989600000000 ] - [ -0.0002706900000000, 0.0005383800000000, 0.0001424100000000 ] - [ 0.0062691700000000, -0.0176687300000000, 0.0051484000000000 ] - [ -0.0001923400000000, 0.0005024700000000, -0.0000206600000000 ] - [ -0.0002783900000000, 0.0002828800000000, -0.0003482200000000 ] - [ -0.0014495200000000, 0.0007616500000000, -0.0005119200000000 ] - [ 0.0020288100000000, -0.0013239300000000, 0.0010424300000000 ] - [ -0.0005846700000000, -0.0006423600000000, 0.0004143600000000 ] - [ 0.0001827500000000, 0.0005860800000000, -0.0017537000000000 ] - [ 0.0001341300000000, -0.0005839100000000, 0.0000585100000000 ] - [ 0.0004852300000000, 0.0003996600000000, -0.0003599900000000 ] - [ 0.0009838900000000, -0.0002573800000000, -0.0013418000000000 ] - [ -0.0083330900000000, 0.1537238600000000, 0.2693153200000000 ] - [ -0.0001067600000000, 0.0000479400000000, -0.0002963400000000 ] - [ -0.0057580700000000, -0.0249944600000000, -0.0023326000000000 ] - [ 0.0002118700000000, -0.0013608200000000, 0.0000562400000000 ] - [ -0.0007925600000000, 0.0009631400000000, -0.0013663100000000 ] - [ 0.0001273400000000, 0.0001785800000000, 0.0004086000000000 ] - [ 0.0003963600000000, 0.0005176300000000, -0.0001851300000000 ] - [ 0.0003674600000000, -0.0002255800000000, 0.0000696900000000 ] - [ 0.0000609100000000, -0.0023334400000000, 0.0016878000000000 ] - [ 0.0007476800000000, -0.0016367700000000, 0.0020330300000000 ] - [ -0.0004210400000000, -0.0024388400000000, -0.0014344300000000 ] - [ 0.0004234700000000, 0.0002232700000000, 0.0005172000000000 ] - [ 0.0015917500000000, 0.0006913000000000, 0.0008893100000000 ] - [ 0.0006506600000000, 0.0003242300000000, 0.0000264500000000 ] - [ 0.0004317700000000, 0.0004319300000000, -0.0001727200000000 ] - [ 0.0006305000000000, 0.0002824600000000, -0.0002343200000000 ] - [ 0.0017469700000000, 0.0028354800000000, -0.0013781900000000 ] - [ -0.0003153600000000, -0.0002912700000000, -0.0001919900000000 ] - [ -0.0002482000000000, 0.0005264000000000, 0.0005526400000000 ] - [ -0.0001340200000000, -0.0006420000000000, -0.0002662300000000 ] - [ 0.0001762700000000, -0.0002171200000000, 0.0000931800000000 ] - [ 0.0008531900000000, -0.0001213700000000, -0.0001810300000000 ] - [ -0.0193469800000000, -0.0055711700000000, -0.0492026800000000 ] - [ -0.0001372400000000, -0.0006472600000000, 0.0001371600000000 ] - [ 0.0003640900000000, 0.0009798600000000, 0.0006856200000000 ] - [ -0.0001445700000000, -0.0000006800000000, -0.0000987100000000 ] - [ -0.0017690100000000, 0.0006093100000000, -0.0001601400000000 ] - [ -0.0000954500000000, -0.0007403900000000, -0.0002718900000000 ] - [ -0.0001830000000000, 0.0002379000000000, 0.0008215000000000 ] - [ -0.0002445800000000, 0.0002393800000000, 0.0001900300000000 ] - [ 0.0004674100000000, 0.0004906200000000, -0.0020946900000000 ] - [ -0.0001260300000000, -0.0009094000000000, -0.0002586000000000 ] - [ -0.0001924300000000, -0.0004089400000000, -0.0019820700000000 ] - [ -0.0004223800000000, 0.0000915100000000, 0.0001542500000000 ] - [ 0.0267877300000000, -0.0189863700000000, 0.0019780800000000 ] - [ 0.0001361300000000, -0.0005992500000000, -0.0002524000000000 ] - [ 0.0011016600000000, 0.0010400100000000, -0.0012925800000000 ] - [ -0.0000366600000000, -0.0001303600000000, -0.0002666000000000 ] - [ 0.0008052000000000, -0.0001561200000000, -0.0002345900000000 ] - [ 0.0003076100000000, 0.0001908900000000, 0.0000492200000000 ] - [ 0.0038232500000000, 0.0016769100000000, -0.0001978300000000 ] - [ -0.0002563300000000, -0.0002667000000000, 0.0000871500000000 ] - [ -0.0104478000000000, 0.0218076100000000, -0.0039369700000000 ] - [ 0.0000089600000000, -0.0006835400000000, 0.0001379500000000 ] - [ 0.0005425600000000, -0.0008853600000000, -0.0007660600000000 ] - [ 0.0001672200000000, -0.0009531800000000, 0.0000962900000000 ] - [ 0.0009003500000000, 0.0010746900000000, -0.0020321100000000 ] - [ -0.0003997500000000, 0.0000278700000000, -0.0000983500000000 ] - [ -0.0001981000000000, -0.0003949700000000, -0.0004990600000000 ] - [ 0.0001882300000000, -0.0006510300000000, -0.0000906800000000 ] - [ 0.0009894400000000, 0.0020606600000000, 0.0041636700000000 ] - [ -0.0000537700000000, -0.0005943700000000, 0.0002777900000000 ] - [ -0.0033383500000000, -0.0218408000000000, 0.0040963100000000 ] - [ -0.0001006800000000, -0.0013542100000000, 0.0004514800000000 ] - [ 0.0001795200000000, -0.0002797400000000, -0.0000390000000000 ] - [ 0.0002607000000000, 0.0010675400000000, -0.0006549800000000 ] - [ -0.0013628900000000, 0.0012492300000000, -0.0016511100000000 ] - [ -0.0002541100000000, -0.0005445000000000, 0.0000650900000000 ] - [ -0.0033510200000000, 0.0050422900000000, -0.0064323600000000 ] - [ -0.0004621600000000, -0.0009199800000000, 0.0001406900000000 ] - [ -0.0006177400000000, -0.0003545200000000, -0.0009900500000000 ] - [ -0.0002663200000000, 0.0000602100000000, -0.0005652900000000 ] - [ -0.0003628800000000, 0.0018683800000000, 0.0018295700000000 ] - [ -0.0001460200000000, -0.0009486300000000, -0.0000721100000000 ] - [ -0.0012223900000000, 0.0016798800000000, -0.0003979900000000 ] - [ -0.0001016800000000, 0.0000893400000000, 0.0001012600000000 ] - [ -0.0017871800000000, -0.0002576000000000, -0.0011307400000000 ] - [ -0.0003304200000000, 0.0000557200000000, 0.0000495300000000 ] - [ -0.0005495900000000, 0.0003203700000000, 0.0001025400000000 ] - [ -0.0005088100000000, 0.0014165100000000, 0.0010659500000000 ] - [ 0.0002043500000000, -0.0003528700000000, -0.0002329800000000 ] - [ 0.0001614400000000, -0.0012389300000000, -0.0007717500000000 ] - [ -0.0023929100000000, -0.0008260700000000, -0.0018722300000000 ] - [ 0.0000569900000000, -0.0001864700000000, -0.0002359900000000 ]- atom: 65 displacement: [ 0.0099999786541794, 0.0000000000000000, -0.0000206619446251 ] forces: - [ 0.0012453000000000, 0.0021723900000000, -0.0002834700000000 ] - [ 0.0001439500000000, -0.0009432500000000, -0.0000590700000000 ] - [ -0.0035162300000000, 0.0022997400000000, 0.0039850800000000 ] - [ 0.0002621300000000, -0.0000772900000000, 0.0000336100000000 ] - [ -0.0003114700000000, 0.0002869600000000, -0.0000662300000000 ] - [ -0.0002042500000000, 0.0000402500000000, -0.0000892300000000 ] - [ 0.0032480800000000, 0.0017669800000000, -0.0003054700000000 ] - [ -0.0002526700000000, -0.0010334400000000, -0.0001257200000000 ] - [ 0.0007716700000000, 0.0011133400000000, 0.0019327900000000 ] - [ 0.0002488000000000, -0.0000851200000000, -0.0000485700000000 ] - [ -0.0001056300000000, -0.0003718800000000, 0.0008048000000000 ] - [ -0.0001130800000000, 0.0002204900000000, 0.0002062400000000 ] - [ -0.0028150400000000, 0.0006839300000000, -0.0006828300000000 ] - [ 0.0002431200000000, -0.0004778000000000, -0.0001012500000000 ] - [ 0.0002781000000000, 0.0008040600000000, 0.0007141500000000 ] - [ -0.0000307900000000, 0.0002005700000000, 0.0002439700000000 ] - [ -0.0011811000000000, 0.0015683700000000, -0.0002523200000000 ] - [ -0.0003222700000000, -0.0001034800000000, -0.0002506200000000 ] - [ 0.0009940900000000, 0.0004237600000000, -0.0027879900000000 ] - [ -0.0004461000000000, -0.0003680600000000, -0.0002675000000000 ] - [ -0.0003817900000000, -0.0008749100000000, -0.0001212700000000 ] - [ 0.0000637700000000, 0.0007282000000000, -0.0001264500000000 ] - [ -0.0033181100000000, -0.0021943700000000, -0.0008256000000000 ] - [ -0.0003791600000000, -0.0004408000000000, -0.0000058900000000 ] - [ 0.0021892400000000, 0.0010205500000000, 0.0014957600000000 ] - [ 0.0000989300000000, 0.0003544600000000, -0.0000622500000000 ] - [ -0.0008310900000000, 0.0001020900000000, -0.0016440700000000 ] - [ 0.0001827100000000, -0.0000434800000000, -0.0004897100000000 ] - [ 0.0528701700000000, 0.0369760900000000, 0.0145686700000000 ] - [ 0.0001587200000000, -0.0009324200000000, -0.0000049800000000 ] - [ 0.0005980500000000, -0.0013393800000000, 0.0009091500000000 ] - [ -0.0030083200000000, -0.0012408900000000, 0.0015913800000000 ] - [ 0.0002389200000000, -0.0002427500000000, -0.0001861200000000 ] - [ 0.0000823800000000, 0.0000543200000000, 0.0000964500000000 ] - [ -0.0002471200000000, -0.0020584000000000, -0.0002539400000000 ] - [ 0.0000701800000000, -0.0013375700000000, 0.0002568300000000 ] - [ 0.0004703900000000, -0.0001785300000000, -0.0012591600000000 ] - [ -0.0006716100000000, -0.0012607200000000, -0.0005764200000000 ] - [ -0.0078029100000000, -0.0071356600000000, -0.0037210500000000 ] - [ 0.0003764700000000, -0.0000800800000000, -0.0000142700000000 ] - [ -0.0003980900000000, 0.0013173200000000, 0.0028978800000000 ] - [ 0.0001812700000000, -0.0002811800000000, 0.0001624000000000 ] - [ -0.0055147100000000, 0.0010817700000000, -0.0011196900000000 ] - [ -0.0000007100000000, 0.0000990000000000, 0.0002131600000000 ] - [ 0.0715527800000000, 0.0191049200000000, 0.0330974500000000 ] - [ 0.0000296000000000, -0.0011684900000000, -0.0000085600000000 ] - [ -0.0035417800000000, 0.0000196600000000, -0.0018467900000000 ] - [ -0.0001287300000000, -0.0008411100000000, -0.0000783600000000 ] - [ -0.0035051600000000, -0.0032642400000000, -0.0003063100000000 ] - [ 0.0001116200000000, -0.0001327900000000, -0.0001290800000000 ] - [ -0.0015262500000000, 0.0006704300000000, 0.0000379500000000 ] - [ -0.0006363600000000, 0.0001089700000000, 0.0003852100000000 ] - [ -0.0001046000000000, -0.0031846800000000, -0.0040913800000000 ] - [ -0.0000503300000000, -0.0005719200000000, -0.0000362600000000 ] - [ -0.0012516900000000, -0.0008217300000000, 0.0009609000000000 ] - [ -0.0004696900000000, -0.0000693700000000, 0.0000943800000000 ] - [ -0.0004640200000000, -0.0002103400000000, 0.0000316500000000 ] - [ -0.0005280900000000, -0.0005400200000000, -0.0001878900000000 ] - [ 0.0016080400000000, -0.0009907600000000, 0.0005990200000000 ] - [ 0.0001115500000000, -0.0001269500000000, -0.0001203500000000 ] - [ 0.0003858200000000, 0.0001030000000000, -0.0002994800000000 ] - [ 0.0003908100000000, 0.0004912900000000, -0.0001845900000000 ] - [ -0.0086749800000000, 0.0081149000000000, 0.0023128600000000 ] - [ -0.0002575100000000, 0.0011308700000000, -0.0001563900000000 ] - [ -0.1451807800000000, -0.1113938300000000, -0.0856908400000000 ] - [ 0.0003579600000000, -0.0000646400000000, 0.0000376100000000 ] - [ 0.0006454600000000, 0.0000751300000000, 0.0006903300000000 ] - [ 0.0002258900000000, 0.0002768700000000, 0.0004615000000000 ] - [ 0.0005198800000000, 0.0002844500000000, -0.0018405700000000 ] - [ 0.0001900200000000, 0.0004768800000000, -0.0000853400000000 ] - [ -0.0120832800000000, 0.0049420200000000, -0.0025952300000000 ] - [ 0.0000762900000000, 0.0010048600000000, -0.0000595300000000 ] - [ -0.0055589300000000, 0.0151843600000000, 0.0083107300000000 ] - [ 0.0002675000000000, -0.0000384100000000, 0.0000718700000000 ] - [ 0.0044978100000000, -0.0011661000000000, -0.0010575300000000 ] - [ 0.0005259400000000, 0.0008441600000000, -0.0002132700000000 ] - [ 0.0000756200000000, 0.0004298000000000, -0.0004759100000000 ] - [ 0.0002313600000000, 0.0009761800000000, -0.0001827000000000 ] - [ -0.0001136500000000, 0.0010186400000000, -0.0002762200000000 ] - [ -0.0004271300000000, -0.0000609300000000, -0.0000695700000000 ] - [ 0.0004008300000000, 0.0004199800000000, 0.0011772400000000 ] - [ -0.0000255200000000, -0.0000446000000000, 0.0003792200000000 ] - [ 0.0011390100000000, -0.0002496100000000, -0.0003331500000000 ] - [ 0.0002610900000000, 0.0001096900000000, -0.0001722900000000 ] - [ -0.0004460800000000, 0.0012852500000000, 0.0004695900000000 ] - [ -0.0003963600000000, 0.0003314200000000, -0.0003005500000000 ] - [ 0.0018398300000000, 0.0002593100000000, -0.0001452100000000 ] - [ -0.0001206900000000, 0.0004220000000000, 0.0001046100000000 ] - [ 0.0009573100000000, -0.0004289600000000, 0.0007380100000000 ] - [ 0.0001397400000000, -0.0000414400000000, 0.0001313700000000 ] - [ 0.0007222500000000, -0.0002185700000000, 0.0006980900000000 ] - [ 0.0001052600000000, 0.0006353400000000, 0.0002672600000000 ] - [ -0.0002293900000000, -0.0000540400000000, -0.0006072000000000 ] - [ -0.0003210900000000, -0.0005915000000000, -0.0004340300000000 ] - [ -0.0026016500000000, -0.0000892100000000, 0.0008445200000000 ] - [ -0.0003027400000000, 0.0005449900000000, 0.0003138800000000 ] - [ 0.0509748300000000, 0.0245395700000000, 0.0139376400000000 ] - [ 0.0002984600000000, -0.0001446500000000, -0.0001507200000000 ] - [ -0.0006148400000000, -0.0006476100000000, -0.0013064400000000 ] - [ -0.0000360800000000, 0.0003999300000000, -0.0001949100000000 ] - [ 0.0017452100000000, -0.0007243000000000, -0.0001890300000000 ] - [ 0.0002438700000000, 0.0005369200000000, -0.0001265400000000 ] - [ 0.0075042000000000, 0.0019129100000000, -0.0005484200000000 ] - [ -0.0001054500000000, 0.0000897300000000, 0.0001766100000000 ] - [ -0.0016268000000000, 0.0033549800000000, 0.0154922400000000 ] - [ 0.0000055100000000, 0.0001191500000000, 0.0002224600000000 ] - [ -0.0006806600000000, -0.0013876000000000, -0.0015751400000000 ] - [ 0.0001039800000000, -0.0002666500000000, 0.0002862100000000 ] - [ -0.0010189800000000, 0.0007433600000000, -0.0013222300000000 ] - [ -0.0003317100000000, 0.0007226700000000, 0.0000575000000000 ] - [ 0.0017886800000000, 0.0000573800000000, -0.0002573700000000 ] - [ -0.0000835800000000, -0.0001746100000000, -0.0005570400000000 ] - [ 0.0028396400000000, 0.0034529500000000, 0.0038561100000000 ] - [ 0.0001377400000000, -0.0001461100000000, 0.0005562800000000 ] - [ -0.0005184900000000, 0.0011560400000000, -0.0001663800000000 ] - [ -0.0005128000000000, 0.0011794800000000, -0.0009062500000000 ] - [ -0.0000502100000000, -0.0004831400000000, -0.0001570600000000 ] - [ 0.0000515800000000, 0.0006640700000000, -0.0000142600000000 ] - [ 0.0007403900000000, -0.0012816400000000, 0.0011785600000000 ] - [ 0.0002237300000000, 0.0000715700000000, -0.0000357500000000 ] - [ 0.0010386000000000, -0.0011246600000000, 0.0029713900000000 ] - [ -0.0006180400000000, -0.0003601800000000, -0.0000326100000000 ] - [ 0.0003226600000000, 0.0007279400000000, 0.0006645100000000 ] - [ 0.0000358700000000, 0.0005439600000000, -0.0002587000000000 ] - [ -0.0002657800000000, -0.0005526500000000, -0.0005588600000000 ] - [ 0.0008653600000000, 0.0015260000000000, -0.0010079200000000 ] - [ 0.0019953000000000, 0.0000154400000000, -0.0002240900000000 ] - [ 0.0000569000000000, 0.0005663400000000, -0.0001961000000000 ] - [ 0.0000102200000000, 0.0000394300000000, 0.0004979500000000 ] - [ 0.0002653800000000, -0.0000171000000000, 0.0003067100000000 ] - [ -0.0004597300000000, 0.0002120800000000, 0.0000388900000000 ] - [ -0.0003278000000000, 0.0011167600000000, 0.0002782500000000 ] - [ 0.0005295800000000, -0.0005536400000000, 0.0002124400000000 ] - [ 0.0017835000000000, 0.0007539900000000, 0.0015837900000000 ] - [ 0.0018489200000000, -0.0000243800000000, 0.0028897100000000 ] - [ 0.0002538500000000, 0.0002719900000000, -0.0000332900000000 ]- atom: 65 displacement: [ -0.0099999786541794, 0.0000000000000000, 0.0000206619446251 ] forces: - [ -0.0008016800000000, -0.0028423400000000, 0.0003687200000000 ] - [ 0.0003268800000000, 0.0002971800000000, 0.0001603800000000 ] - [ 0.0040044900000000, -0.0016667000000000, -0.0039154400000000 ] - [ 0.0002086000000000, 0.0007394100000000, 0.0000692100000000 ] - [ -0.0001552000000000, 0.0003753700000000, -0.0000335500000000 ] - [ -0.0002667800000000, 0.0006143000000000, -0.0000137500000000 ] - [ -0.0036558700000000, -0.0025436000000000, 0.0002496800000000 ] - [ -0.0002171300000000, 0.0003954000000000, 0.0000250800000000 ] - [ -0.0004137400000000, -0.0002578400000000, -0.0021472800000000 ] - [ 0.0001039000000000, 0.0009794400000000, -0.0001830300000000 ] - [ -0.0002485100000000, 0.0012600700000000, -0.0005789600000000 ] - [ -0.0002412300000000, 0.0006686600000000, 0.0000255800000000 ] - [ 0.0033868000000000, -0.0012095400000000, 0.0001556400000000 ] - [ 0.0003240300000000, -0.0000214300000000, -0.0004300100000000 ] - [ -0.0003384100000000, 0.0005391400000000, -0.0006216100000000 ] - [ -0.0000334800000000, 0.0011564600000000, -0.0001532800000000 ] - [ 0.0009854800000000, -0.0007042500000000, 0.0000426700000000 ] - [ 0.0001257000000000, 0.0009984000000000, 0.0000357100000000 ] - [ -0.0017665200000000, -0.0006495700000000, 0.0025644700000000 ] - [ -0.0003506000000000, 0.0001583700000000, 0.0000503300000000 ] - [ 0.0001283300000000, 0.0010992500000000, -0.0000716100000000 ] - [ -0.0003236200000000, -0.0005202900000000, -0.0000665900000000 ] - [ 0.0027604300000000, 0.0017022900000000, 0.0013648100000000 ] - [ -0.0001893300000000, -0.0000616200000000, 0.0005383200000000 ] - [ -0.0021368500000000, 0.0003183600000000, -0.0015810300000000 ] - [ -0.0000365500000000, 0.0010023700000000, -0.0000305100000000 ] - [ 0.0013971000000000, 0.0003914600000000, 0.0011220900000000 ] - [ 0.0003886600000000, 0.0005564400000000, -0.0000343200000000 ] - [ -0.0529280900000000, -0.0392207900000000, -0.0148748400000000 ] - [ 0.0001965900000000, 0.0000619900000000, -0.0002234200000000 ] - [ -0.0005299200000000, -0.0000049600000000, -0.0009966800000000 ] - [ 0.0031232700000000, -0.0000149800000000, -0.0016948700000000 ] - [ 0.0005557900000000, 0.0000318900000000, 0.0004015500000000 ] - [ 0.0007215000000000, -0.0002729700000000, 0.0001194800000000 ] - [ -0.0000947600000000, 0.0011626700000000, 0.0004572900000000 ] - [ -0.0004280800000000, 0.0004799900000000, -0.0000306800000000 ] - [ -0.0002752800000000, -0.0006950600000000, 0.0014770700000000 ] - [ 0.0008856200000000, 0.0003904400000000, 0.0008041600000000 ] - [ 0.0085758300000000, 0.0073576000000000, 0.0039588200000000 ] - [ 0.0004212500000000, 0.0003001800000000, 0.0002371900000000 ] - [ 0.0006527400000000, -0.0011126500000000, -0.0026620000000000 ] - [ 0.0000724000000000, 0.0005033600000000, 0.0000292400000000 ] - [ 0.0057182700000000, -0.0001760500000000, 0.0013350200000000 ] - [ 0.0001990200000000, 0.0007927800000000, 0.0000003500000000 ] - [ -0.0731304700000000, -0.0226990000000000, -0.0356615400000000 ] - [ -0.0000936400000000, -0.0001692000000000, 0.0001037300000000 ] - [ 0.0033369500000000, -0.0009162900000000, 0.0016175000000000 ] - [ -0.0000674700000000, -0.0000346900000000, -0.0001384600000000 ] - [ 0.0037539000000000, 0.0031437200000000, 0.0005388900000000 ] - [ 0.0001446500000000, -0.0000703200000000, 0.0003219900000000 ] - [ 0.0009523100000000, -0.0001543900000000, 0.0004762800000000 ] - [ 0.0000749700000000, 0.0003985800000000, 0.0001384200000000 ] - [ -0.0001306800000000, 0.0029404200000000, 0.0038732100000000 ] - [ -0.0002062800000000, 0.0003693300000000, -0.0001589000000000 ] - [ 0.0004772500000000, 0.0010087900000000, -0.0011656900000000 ] - [ -0.0003286100000000, 0.0002923200000000, -0.0003178800000000 ] - [ -0.0001551400000000, -0.0004672100000000, 0.0004127400000000 ] - [ -0.0001316800000000, -0.0001359700000000, 0.0006372200000000 ] - [ -0.0014566200000000, 0.0002992700000000, -0.0005183700000000 ] - [ 0.0000419500000000, -0.0005783600000000, 0.0002026000000000 ] - [ 0.0002276700000000, 0.0005726600000000, -0.0001400500000000 ] - [ 0.0002303300000000, 0.0001775800000000, -0.0002567200000000 ] - [ 0.0084445100000000, -0.0068190600000000, -0.0027041400000000 ] - [ -0.0000485000000000, 0.0000494300000000, -0.0003085700000000 ] - [ 0.1489535400000000, 0.1148966300000000, 0.0885819700000000 ] - [ 0.0002962300000000, -0.0009706800000000, -0.0001062100000000 ] - [ -0.0005024800000000, 0.0005608200000000, 0.0001419800000000 ] - [ -0.0000896100000000, 0.0003662000000000, 0.0003667000000000 ] - [ -0.0000162900000000, 0.0000422400000000, 0.0018796100000000 ] - [ 0.0003163600000000, -0.0001797200000000, 0.0001474900000000 ] - [ 0.0122967500000000, -0.0040171400000000, 0.0031058300000000 ] - [ 0.0002316000000000, 0.0001854800000000, 0.0005231200000000 ] - [ 0.0058322900000000, -0.0156142900000000, -0.0083293100000000 ] - [ 0.0002354100000000, -0.0002752000000000, -0.0000136500000000 ] - [ -0.0033657300000000, 0.0023897000000000, 0.0008423300000000 ] - [ 0.0005810100000000, 0.0003817900000000, 0.0000277000000000 ] - [ 0.0005785100000000, 0.0006115500000000, 0.0004059800000000 ] - [ 0.0004248100000000, 0.0000393300000000, 0.0001190200000000 ] - [ -0.0003903000000000, -0.0007227900000000, 0.0002181400000000 ] - [ -0.0000746500000000, 0.0003666100000000, 0.0000079200000000 ] - [ -0.0005571500000000, -0.0011290400000000, -0.0012664900000000 ] - [ -0.0001287000000000, -0.0006626400000000, -0.0004672100000000 ] - [ -0.0007869800000000, 0.0001246100000000, 0.0000850200000000 ] - [ 0.0001001800000000, -0.0002474800000000, -0.0000734700000000 ] - [ -0.0000590800000000, -0.0015821100000000, -0.0005214600000000 ] - [ -0.0001046800000000, -0.0006479100000000, 0.0002474800000000 ] - [ -0.0021173400000000, 0.0002682900000000, 0.0001398600000000 ] - [ -0.0001537700000000, 0.0001151200000000, -0.0001051400000000 ] - [ -0.0006781200000000, -0.0000996100000000, -0.0007335500000000 ] - [ 0.0001360600000000, -0.0005025700000000, -0.0001347700000000 ] - [ -0.0005664300000000, 0.0009291100000000, -0.0006231500000000 ] - [ 0.0000481000000000, 0.0000595700000000, -0.0001924700000000 ] - [ -0.0000795200000000, -0.0011466700000000, 0.0001471100000000 ] - [ 0.0000132900000000, -0.0006051600000000, -0.0000284800000000 ] - [ 0.0019756300000000, 0.0007784100000000, -0.0004230600000000 ] - [ -0.0003165600000000, 0.0001234200000000, 0.0001287200000000 ] - [ -0.0514734000000000, -0.0257636100000000, -0.0147008400000000 ] - [ 0.0003215800000000, -0.0005335400000000, -0.0002959800000000 ] - [ 0.0005565600000000, 0.0009985900000000, 0.0008859200000000 ] - [ -0.0000207200000000, -0.0000543000000000, -0.0002094900000000 ] - [ -0.0014738000000000, 0.0012776800000000, 0.0001833200000000 ] - [ 0.0000308500000000, -0.0000023900000000, 0.0001267800000000 ] - [ -0.0079131100000000, -0.0020613500000000, 0.0008040700000000 ] - [ -0.0002559500000000, -0.0002262000000000, 0.0000683400000000 ] - [ 0.0017787200000000, -0.0036689500000000, -0.0150304200000000 ] - [ 0.0000523400000000, -0.0004762300000000, 0.0001808200000000 ] - [ 0.0009925300000000, 0.0002031800000000, 0.0020370400000000 ] - [ 0.0002068700000000, -0.0009384400000000, 0.0001763200000000 ] - [ 0.0003668600000000, 0.0002812100000000, 0.0013915200000000 ] - [ -0.0003240700000000, 0.0002959700000000, 0.0000055300000000 ] - [ -0.0019363000000000, -0.0006734300000000, -0.0005739100000000 ] - [ -0.0000534400000000, -0.0004732200000000, -0.0002667200000000 ] - [ -0.0027102400000000, -0.0041206400000000, -0.0030589700000000 ] - [ -0.0000000800000000, -0.0005003100000000, 0.0002674400000000 ] - [ -0.0001418500000000, -0.0021759900000000, 0.0002327200000000 ] - [ -0.0001332600000000, -0.0022435200000000, 0.0009901600000000 ] - [ 0.0001104300000000, 0.0008405100000000, 0.0005627000000000 ] - [ 0.0000057700000000, -0.0003196200000000, 0.0004208200000000 ] - [ -0.0010135200000000, 0.0007370400000000, -0.0011691700000000 ] - [ -0.0005059800000000, -0.0006181900000000, 0.0000390400000000 ] - [ -0.0021472700000000, -0.0001015300000000, -0.0027679600000000 ] - [ -0.0004863800000000, -0.0008770900000000, 0.0002235300000000 ] - [ -0.0004613200000000, -0.0000761500000000, -0.0014922600000000 ] - [ -0.0001771000000000, 0.0000935200000000, -0.0005708800000000 ] - [ 0.0002071700000000, 0.0001934500000000, 0.0001532300000000 ] - [ -0.0009288700000000, -0.0019181800000000, 0.0005958600000000 ] - [ -0.0021509200000000, 0.0006729300000000, 0.0001567500000000 ] - [ -0.0002129400000000, 0.0001290000000000, 0.0001213500000000 ] - [ -0.0003669100000000, 0.0000890700000000, -0.0002492100000000 ] - [ -0.0006336700000000, 0.0001517000000000, -0.0000608700000000 ] - [ -0.0006415500000000, 0.0010253700000000, 0.0001503400000000 ] - [ -0.0007796200000000, 0.0001081600000000, -0.0000924200000000 ] - [ 0.0005758200000000, -0.0006829100000000, -0.0004043100000000 ] - [ -0.0006865300000000, -0.0020134900000000, -0.0018087900000000 ] - [ -0.0014817400000000, 0.0001626300000000, -0.0031065600000000 ] - [ 0.0001062100000000, -0.0001428900000000, -0.0002139900000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0060575000000000, 0.0039947900000000, 0.0068317400000000 ] - [ -0.0007528700000000, -0.0039879200000000, -0.0004291200000000 ] - [ -0.0007550500000000, 0.0062958300000000, 0.0020064700000000 ] - [ 0.0005322900000000, -0.0023971500000000, -0.0000640200000000 ] - [ -0.0001056000000000, -0.0008554100000000, -0.0003857300000000 ] - [ -0.0004570100000000, -0.0009198200000000, 0.0003515700000000 ] - [ 0.0049392900000000, 0.0051681700000000, 0.0063895800000000 ] - [ -0.0003476800000000, -0.0046278500000000, -0.0005465600000000 ] - [ -0.0000323800000000, 0.0065756900000000, -0.0008088800000000 ] - [ 0.0005452600000000, -0.0030303500000000, 0.0001504200000000 ] - [ -0.0003117100000000, -0.0000843200000000, 0.0012602500000000 ] - [ -0.0001590500000000, -0.0021823400000000, -0.0004639400000000 ] - [ -0.0036821400000000, 0.0049363000000000, -0.0026968200000000 ] - [ 0.0010597900000000, -0.0023475400000000, 0.0007999800000000 ] - [ -0.0002922700000000, 0.0013616800000000, -0.0006713300000000 ] - [ 0.0007529900000000, -0.0013234100000000, 0.0003896600000000 ] - [ -0.0008148200000000, 0.0041036400000000, -0.0000694500000000 ] - [ -0.0001944700000000, -0.0021096100000000, -0.0003689800000000 ] - [ 0.0011804800000000, 0.0065109400000000, 0.0010729000000000 ] - [ -0.0008414400000000, -0.0021021800000000, -0.0009942900000000 ] - [ -0.0006967800000000, -0.0023926000000000, -0.0000776400000000 ] - [ 0.0010948800000000, -0.0004078700000000, -0.0004269500000000 ] - [ -0.0019619900000000, -0.0014089100000000, -0.0005201900000000 ] - [ -0.0007058700000000, -0.0017901500000000, -0.0010145800000000 ] - [ -0.0013583500000000, 0.0048484700000000, 0.0011719700000000 ] - [ -0.0000102900000000, -0.0018425000000000, -0.0003419500000000 ] - [ 0.0004868300000000, 0.0039253800000000, 0.0005762800000000 ] - [ -0.0003885900000000, -0.0018006100000000, -0.0012848500000000 ] - [ 0.0348511400000000, 0.2797507700000000, 0.0319592100000000 ] - [ -0.0002891700000000, -0.0049153400000000, -0.0001405500000000 ] - [ 0.0024575600000000, -0.0057486700000000, 0.0016629100000000 ] - [ -0.0085704900000000, -0.0196117200000000, 0.0017654700000000 ] - [ 0.0008651700000000, -0.0017236600000000, 0.0002669500000000 ] - [ -0.0003643900000000, -0.0000129300000000, 0.0007584900000000 ] - [ 0.0004187800000000, -0.0093707400000000, -0.0143402500000000 ] - [ 0.0009633700000000, -0.0069585200000000, 0.0012790000000000 ] - [ -0.0006095700000000, -0.0023772200000000, 0.0008037900000000 ] - [ -0.0030511800000000, -0.0042967700000000, -0.0024366600000000 ] - [ -0.0044910400000000, -0.0037905800000000, -0.0010388800000000 ] - [ 0.0001692700000000, -0.0015536000000000, -0.0007227600000000 ] - [ 0.0000029900000000, 0.0058520200000000, -0.0028174200000000 ] - [ 0.0005140800000000, -0.0027519600000000, 0.0004533800000000 ] - [ -0.0002960700000000, 0.0013438700000000, -0.0013459700000000 ] - [ -0.0001983300000000, -0.0020665600000000, 0.0005992400000000 ] - [ 0.0227467300000000, 0.0697778700000000, 0.0243777600000000 ] - [ -0.0000800200000000, -0.0043863800000000, -0.0005433800000000 ] - [ -0.0011974500000000, 0.0053390300000000, -0.0015472200000000 ] - [ -0.0000630900000000, -0.0032991100000000, 0.0001713400000000 ] - [ -0.0055259900000000, -0.0175409100000000, -0.0059113400000000 ] - [ -0.0001170700000000, -0.0036256000000000, 0.0013131200000000 ] - [ 0.0012063900000000, -0.0007944900000000, 0.0010008600000000 ] - [ -0.0013864700000000, -0.0009112400000000, 0.0011177800000000 ] - [ -0.0014148200000000, 0.0020169100000000, -0.0057620800000000 ] - [ 0.0004792900000000, -0.0035344400000000, 0.0003339100000000 ] - [ -0.0057669500000000, 0.0027808400000000, -0.0003241200000000 ] - [ 0.0008194800000000, -0.0019861000000000, 0.0006870400000000 ] - [ -0.0022091000000000, 0.0014466400000000, -0.0000957600000000 ] - [ 0.0071688500000000, 0.0015285400000000, -0.0014661400000000 ] - [ 0.0008833100000000, -0.0038681300000000, 0.0025651800000000 ] - [ 0.0000451500000000, 0.0013090900000000, -0.0010601900000000 ] - [ 0.0008287800000000, -0.0002682700000000, -0.0007371000000000 ] - [ -0.0003573300000000, 0.0016136900000000, -0.0002063700000000 ] - [ 0.0127735400000000, 0.0570267700000000, 0.0334974700000000 ] - [ -0.0006370200000000, 0.0045184100000000, 0.0004724600000000 ] - [ -0.1140178000000000, -0.4933743800000000, -0.1103320100000000 ] - [ 0.0007836500000000, 0.0032797900000000, 0.0007687200000000 ] - [ -0.0006220700000000, 0.0014361400000000, -0.0000667300000000 ] - [ 0.0002693000000000, 0.0006613900000000, 0.0001257100000000 ] - [ 0.0013315400000000, -0.0045034900000000, 0.0013028000000000 ] - [ -0.0002042300000000, 0.0024225600000000, -0.0006106300000000 ] - [ 0.0046357800000000, 0.0634216200000000, -0.0216201700000000 ] - [ 0.0002780000000000, 0.0041746500000000, -0.0006446500000000 ] - [ 0.0123756300000000, 0.0407861600000000, 0.0341503200000000 ] - [ 0.0007258300000000, 0.0026059200000000, 0.0004594800000000 ] - [ -0.0005513800000000, -0.0017749900000000, 0.0023541900000000 ] - [ 0.0002090200000000, 0.0022790400000000, -0.0008367100000000 ] - [ 0.0004206300000000, -0.0029978300000000, 0.0005365100000000 ] - [ -0.0001433300000000, 0.0031857500000000, -0.0005893800000000 ] - [ 0.0004577800000000, 0.0015073100000000, -0.0004830500000000 ] - [ -0.0005686600000000, 0.0010113200000000, 0.0005410000000000 ] - [ 0.0004011200000000, 0.0004058600000000, 0.0004104300000000 ] - [ 0.0001130700000000, 0.0014766200000000, 0.0020617900000000 ] - [ 0.0029004900000000, -0.0014845800000000, -0.0006875600000000 ] - [ -0.0005059900000000, 0.0010523300000000, -0.0002539500000000 ] - [ 0.0010692300000000, -0.0017988600000000, 0.0060490200000000 ] - [ -0.0011271400000000, 0.0032149000000000, -0.0017442500000000 ] - [ 0.0005344300000000, 0.0006835100000000, 0.0003466900000000 ] - [ -0.0001203700000000, 0.0014496000000000, 0.0005936300000000 ] - [ 0.0006434400000000, -0.0037627200000000, -0.0010995600000000 ] - [ 0.0001527600000000, 0.0014156600000000, 0.0007391800000000 ] - [ -0.0001940200000000, -0.0023980600000000, -0.0012338500000000 ] - [ 0.0002033600000000, 0.0019373600000000, 0.0010355400000000 ] - [ -0.0003080300000000, 0.0005203600000000, -0.0005666100000000 ] - [ -0.0004079600000000, 0.0000472400000000, -0.0004529400000000 ] - [ -0.0011218500000000, -0.0026386400000000, -0.0045005200000000 ] - [ 0.0000413400000000, 0.0018554500000000, 0.0007475200000000 ] - [ 0.0266002600000000, 0.0005698800000000, 0.0053159000000000 ] - [ 0.0005500800000000, 0.0011493700000000, 0.0002597300000000 ] - [ 0.0000387400000000, -0.0020035000000000, -0.0002399800000000 ] - [ -0.0000093200000000, 0.0018544500000000, -0.0000329800000000 ] - [ 0.0015306600000000, -0.0027102400000000, 0.0007135900000000 ] - [ 0.0001035000000000, 0.0018227600000000, -0.0006274200000000 ] - [ 0.0030903900000000, 0.0000204000000000, -0.0009919100000000 ] - [ 0.0002044900000000, 0.0011170800000000, 0.0004913600000000 ] - [ 0.0025896200000000, -0.0084164100000000, 0.0099316300000000 ] - [ -0.0000357300000000, 0.0020042100000000, 0.0004573600000000 ] - [ 0.0000038600000000, -0.0050325700000000, -0.0004714100000000 ] - [ -0.0000536400000000, 0.0017356800000000, 0.0006696000000000 ] - [ -0.0000982900000000, -0.0005934300000000, -0.0013026300000000 ] - [ -0.0001128300000000, 0.0027776600000000, 0.0006104200000000 ] - [ 0.0043701400000000, -0.0030928300000000, 0.0009661500000000 ] - [ -0.0009316300000000, 0.0013404200000000, -0.0013323100000000 ] - [ 0.0019858800000000, 0.0010212300000000, 0.0018988500000000 ] - [ 0.0005293600000000, 0.0010706400000000, 0.0012794400000000 ] - [ -0.0020350300000000, 0.0086209200000000, 0.0011206100000000 ] - [ -0.0020093400000000, 0.0086598800000000, -0.0041989300000000 ] - [ -0.0009060100000000, -0.0003361900000000, 0.0006192400000000 ] - [ -0.0000480500000000, 0.0017330700000000, -0.0001511500000000 ] - [ -0.0012146700000000, 0.0014140000000000, -0.0021747800000000 ] - [ 0.0011848700000000, 0.0015582400000000, -0.0003784200000000 ] - [ 0.0011156200000000, -0.0037297600000000, 0.0040852800000000 ] - [ -0.0011141400000000, 0.0012521000000000, -0.0008146000000000 ] - [ -0.0008504000000000, -0.0031549100000000, -0.0016566600000000 ] - [ 0.0005916400000000, 0.0018922600000000, 0.0004769400000000 ] - [ -0.0004752600000000, 0.0029671400000000, -0.0015814100000000 ] - [ 0.0018809000000000, 0.0076131100000000, -0.0000855100000000 ] - [ -0.0019711800000000, 0.0006277200000000, 0.0001620500000000 ] - [ 0.0004615100000000, 0.0018262100000000, -0.0009698700000000 ] - [ -0.0004177800000000, 0.0013338900000000, -0.0001580800000000 ] - [ 0.0009864300000000, 0.0002185200000000, 0.0001314000000000 ] - [ -0.0017663100000000, -0.0001456000000000, -0.0000607700000000 ] - [ 0.0001355400000000, 0.0021265300000000, 0.0005843400000000 ] - [ 0.0009252900000000, 0.0007410800000000, -0.0002603600000000 ] - [ 0.0041699500000000, 0.0052525600000000, 0.0076698600000000 ] - [ -0.0006099300000000, -0.0037272100000000, -0.0012250000000000 ] - [ 0.0006079600000000, 0.0015027900000000, 0.0003457600000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0055239400000000, -0.0045656800000000, -0.0066648600000000 ] - [ 0.0012245000000000, 0.0033102900000000, 0.0005335100000000 ] - [ 0.0011879500000000, -0.0055894600000000, -0.0018674500000000 ] - [ -0.0000558200000000, 0.0030290500000000, 0.0001665200000000 ] - [ -0.0003719200000000, 0.0014874600000000, 0.0002817900000000 ] - [ -0.0000184900000000, 0.0015700000000000, -0.0004538000000000 ] - [ -0.0051157300000000, -0.0063417700000000, -0.0062680800000000 ] - [ -0.0001298100000000, 0.0039397200000000, 0.0004370700000000 ] - [ 0.0003814600000000, -0.0056100400000000, 0.0005557000000000 ] - [ -0.0001905300000000, 0.0038870500000000, -0.0003825800000000 ] - [ -0.0000407800000000, 0.0009430600000000, -0.0010215200000000 ] - [ -0.0001905000000000, 0.0030506200000000, 0.0006954600000000 ] - [ 0.0042168600000000, -0.0053887000000000, 0.0021469200000000 ] - [ -0.0004879500000000, 0.0018253900000000, -0.0013171500000000 ] - [ 0.0002313200000000, 0.0000094100000000, 0.0007581600000000 ] - [ -0.0008080600000000, 0.0026548300000000, -0.0002925200000000 ] - [ 0.0006079500000000, -0.0031687000000000, -0.0001424100000000 ] - [ -0.0000053000000000, 0.0029747100000000, 0.0001536700000000 ] - [ -0.0019765800000000, -0.0066676000000000, -0.0012686400000000 ] - [ 0.0000344500000000, 0.0018710300000000, 0.0007647700000000 ] - [ 0.0004394500000000, 0.0025848400000000, -0.0001124400000000 ] - [ -0.0013312100000000, 0.0006329200000000, 0.0002345600000000 ] - [ 0.0013689500000000, 0.0008756200000000, 0.0010294100000000 ] - [ 0.0001346600000000, 0.0012742100000000, 0.0015304100000000 ] - [ 0.0014023000000000, -0.0034761800000000, -0.0012532600000000 ] - [ 0.0000696800000000, 0.0031769000000000, 0.0002476500000000 ] - [ 0.0000761500000000, -0.0033790300000000, -0.0010961900000000 ] - [ 0.0009526800000000, 0.0022913900000000, 0.0007499700000000 ] - [ -0.0310709800000000, -0.2610630400000000, -0.0282776200000000 ] - [ 0.0006375100000000, 0.0039997200000000, -0.0000966500000000 ] - [ -0.0023947600000000, 0.0043712900000000, -0.0017493400000000 ] - [ 0.0085619100000000, 0.0181192000000000, -0.0018660000000000 ] - [ -0.0000601800000000, 0.0014926500000000, -0.0000424200000000 ] - [ 0.0011572700000000, -0.0001954000000000, -0.0005319400000000 ] - [ -0.0007602500000000, 0.0083758400000000, 0.0145429100000000 ] - [ -0.0013052500000000, 0.0060195700000000, -0.0010313400000000 ] - [ 0.0008118600000000, 0.0014739800000000, -0.0006052200000000 ] - [ 0.0032170900000000, 0.0033765400000000, 0.0026238100000000 ] - [ 0.0051972600000000, 0.0039577300000000, 0.0012203500000000 ] - [ 0.0006333200000000, 0.0017581000000000, 0.0009380100000000 ] - [ 0.0002606200000000, -0.0056072500000000, 0.0029746900000000 ] - [ -0.0002586900000000, 0.0029469200000000, -0.0002621700000000 ] - [ 0.0004736000000000, -0.0004810700000000, 0.0015654600000000 ] - [ 0.0003934500000000, 0.0029363100000000, -0.0003823100000000 ] - [ -0.0250078900000000, -0.0726935900000000, -0.0266007000000000 ] - [ 0.0000241600000000, 0.0030039100000000, 0.0006322400000000 ] - [ 0.0009792700000000, -0.0061614300000000, 0.0013141400000000 ] - [ -0.0001358000000000, 0.0023893300000000, -0.0003809700000000 ] - [ 0.0057254400000000, 0.0171730700000000, 0.0060742000000000 ] - [ 0.0003671100000000, 0.0033875800000000, -0.0011265400000000 ] - [ -0.0017839300000000, 0.0012897000000000, -0.0004662800000000 ] - [ 0.0008033500000000, 0.0014128200000000, -0.0005854300000000 ] - [ 0.0011802000000000, -0.0023579700000000, 0.0054691200000000 ] - [ -0.0007267700000000, 0.0032897100000000, -0.0005172300000000 ] - [ 0.0049043300000000, -0.0025216600000000, 0.0000905500000000 ] - [ -0.0016195700000000, 0.0021869700000000, -0.0009008100000000 ] - [ 0.0015874700000000, -0.0021155800000000, 0.0005461500000000 ] - [ -0.0076923900000000, -0.0021920900000000, 0.0019041000000000 ] - [ -0.0007311000000000, 0.0031363600000000, -0.0024674000000000 ] - [ 0.0000980400000000, -0.0019900800000000, 0.0011221900000000 ] - [ -0.0002050300000000, 0.0009370800000000, 0.0002796400000000 ] - [ 0.0009692400000000, -0.0009207900000000, -0.0002491700000000 ] - [ -0.0133992000000000, -0.0568965800000000, -0.0345344300000000 ] - [ 0.0003217400000000, -0.0032910900000000, -0.0009332400000000 ] - [ 0.1128111300000000, 0.4737239800000000, 0.1085005300000000 ] - [ -0.0001240300000000, -0.0042734700000000, -0.0008226700000000 ] - [ 0.0007414800000000, -0.0007838100000000, 0.0008962900000000 ] - [ -0.0001455600000000, -0.0000202900000000, 0.0007081200000000 ] - [ -0.0008225500000000, 0.0047648200000000, -0.0012157300000000 ] - [ 0.0007118800000000, -0.0020994900000000, 0.0006678700000000 ] - [ -0.0042200600000000, -0.0610213200000000, 0.0216008800000000 ] - [ 0.0000345500000000, -0.0029570600000000, 0.0011079600000000 ] - [ -0.0116939500000000, -0.0404435500000000, -0.0334462400000000 ] - [ -0.0002110600000000, -0.0028917500000000, -0.0003914700000000 ] - [ 0.0016575600000000, 0.0030058300000000, -0.0025273600000000 ] - [ 0.0009078500000000, -0.0010363500000000, 0.0006432600000000 ] - [ 0.0002382100000000, 0.0039709400000000, -0.0005862700000000 ] - [ 0.0007960000000000, -0.0021400400000000, 0.0005234200000000 ] - [ -0.0009654300000000, -0.0011811000000000, 0.0004225700000000 ] - [ 0.0000521600000000, -0.0007059000000000, -0.0006003400000000 ] - [ -0.0005398500000000, -0.0010817700000000, -0.0004630100000000 ] - [ -0.0002548300000000, -0.0021572500000000, -0.0021127900000000 ] - [ -0.0025007300000000, 0.0013212900000000, 0.0004526200000000 ] - [ 0.0008712200000000, -0.0011843300000000, 0.0000188600000000 ] - [ -0.0015942800000000, 0.0015529100000000, -0.0061204800000000 ] - [ 0.0006076400000000, -0.0034904400000000, 0.0016654700000000 ] - [ -0.0007879400000000, -0.0001143700000000, -0.0003337400000000 ] - [ -0.0001450600000000, -0.0008915900000000, -0.0005812600000000 ] - [ -0.0003675400000000, 0.0031729100000000, 0.0010841000000000 ] - [ 0.0001115100000000, -0.0019537400000000, -0.0007414300000000 ] - [ 0.0003379400000000, 0.0030601600000000, 0.0012924700000000 ] - [ -0.0000599300000000, -0.0012291100000000, -0.0009557200000000 ] - [ -0.0000030200000000, -0.0016965500000000, 0.0000936100000000 ] - [ 0.0000931800000000, -0.0012429300000000, -0.0000160900000000 ] - [ 0.0004974100000000, 0.0033241200000000, 0.0049200100000000 ] - [ -0.0006549500000000, -0.0011624300000000, -0.0002895000000000 ] - [ -0.0257088400000000, -0.0009687600000000, -0.0057431000000000 ] - [ 0.0000659200000000, -0.0018186300000000, -0.0007084600000000 ] - [ -0.0000882800000000, 0.0023541400000000, -0.0001674300000000 ] - [ -0.0000415800000000, -0.0014858100000000, -0.0003721200000000 ] - [ -0.0012504500000000, 0.0032281800000000, -0.0007119100000000 ] - [ 0.0001627600000000, -0.0012575200000000, 0.0006130400000000 ] - [ -0.0034009000000000, -0.0001523800000000, 0.0012167200000000 ] - [ -0.0005699700000000, -0.0012502000000000, -0.0002547500000000 ] - [ -0.0024036300000000, 0.0082458200000000, -0.0091192300000000 ] - [ 0.0000859600000000, -0.0023432000000000, -0.0000484100000000 ] - [ 0.0003055800000000, 0.0037995900000000, 0.0009265700000000 ] - [ 0.0003629000000000, -0.0029129800000000, -0.0001984200000000 ] - [ -0.0005573700000000, 0.0016259300000000, 0.0013549700000000 ] - [ -0.0005433700000000, -0.0017414300000000, -0.0005460400000000 ] - [ -0.0044511000000000, 0.0024089800000000, -0.0017831600000000 ] - [ 0.0008066500000000, -0.0019710300000000, 0.0004917200000000 ] - [ -0.0018318400000000, -0.0016229000000000, -0.0010310000000000 ] - [ -0.0004081500000000, -0.0017036900000000, -0.0004378300000000 ] - [ 0.0013835000000000, -0.0096257400000000, -0.0010721600000000 ] - [ 0.0013371000000000, -0.0095879400000000, 0.0042149000000000 ] - [ 0.0009490500000000, 0.0006763800000000, -0.0002084600000000 ] - [ 0.0000988000000000, -0.0013595900000000, 0.0005562400000000 ] - [ 0.0009603600000000, -0.0019681400000000, 0.0021945900000000 ] - [ -0.0014367600000000, -0.0020948600000000, 0.0003841200000000 ] - [ -0.0022194200000000, 0.0024906600000000, -0.0038217300000000 ] - [ -0.0000093500000000, -0.0024675500000000, 0.0009944600000000 ] - [ 0.0007271600000000, 0.0037651600000000, 0.0008132300000000 ] - [ -0.0007067600000000, -0.0012365100000000, -0.0013032500000000 ] - [ 0.0004227100000000, -0.0033095500000000, 0.0011689000000000 ] - [ -0.0019179200000000, -0.0079087400000000, -0.0003331300000000 ] - [ 0.0018429300000000, 0.0000803900000000, -0.0002473000000000 ] - [ -0.0005985100000000, -0.0011216600000000, 0.0008926000000000 ] - [ 0.0000485900000000, -0.0011817000000000, 0.0003907900000000 ] - [ -0.0013412100000000, -0.0000782600000000, 0.0001027400000000 ] - [ 0.0006328700000000, 0.0013607800000000, 0.0002452000000000 ] - [ -0.0012505200000000, -0.0008810000000000, -0.0003896900000000 ] - [ 0.0001974500000000, -0.0019581100000000, 0.0000785700000000 ] - [ -0.0030077600000000, -0.0064171600000000, -0.0077683200000000 ] - [ 0.0009761300000000, 0.0038519100000000, 0.0009720200000000 ] - [ -0.0002359400000000, -0.0013493000000000, -0.0005744700000000 ]- atom: 65 displacement: [ -0.0045139598196510, 0.0000000000000000, 0.0089232374588249 ] forces: - [ -0.0011438600000000, 0.0019899000000000, -0.0006301000000000 ] - [ -0.0001017600000000, -0.0010766900000000, -0.0001336800000000 ] - [ 0.0039593600000000, 0.0010647600000000, -0.0010039600000000 ] - [ 0.0002906300000000, -0.0000445400000000, 0.0000457100000000 ] - [ 0.0000342900000000, 0.0003164500000000, -0.0004069300000000 ] - [ 0.0001800500000000, 0.0001095400000000, -0.0005703100000000 ] - [ -0.0011838100000000, 0.0002819800000000, 0.0053781300000000 ] - [ -0.0001837300000000, -0.0010984000000000, 0.0000797000000000 ] - [ 0.0003576500000000, 0.0008891400000000, -0.0035601300000000 ] - [ 0.0002324400000000, -0.0000080700000000, -0.0001222500000000 ] - [ 0.0001968300000000, 0.0018981300000000, 0.0003169700000000 ] - [ -0.0001305900000000, -0.0001220700000000, -0.0000010200000000 ] - [ 0.0001254400000000, 0.0004494700000000, -0.0005412800000000 ] - [ 0.0004266800000000, -0.0005511600000000, -0.0001258400000000 ] - [ 0.0004556300000000, 0.0005773400000000, -0.0008467500000000 ] - [ 0.0003007800000000, 0.0006265000000000, -0.0000370600000000 ] - [ -0.0000945800000000, 0.0007246300000000, 0.0002372000000000 ] - [ -0.0000795500000000, 0.0001520300000000, -0.0001033800000000 ] - [ -0.0035708600000000, -0.0008539900000000, -0.0025210700000000 ] - [ -0.0004937200000000, -0.0004401900000000, -0.0002460400000000 ] - [ -0.0001356600000000, 0.0001396500000000, 0.0000682000000000 ] - [ 0.0001299200000000, -0.0004350900000000, 0.0006198800000000 ] - [ -0.0002918700000000, -0.0003289200000000, -0.0001732700000000 ] - [ -0.0003924500000000, -0.0006523500000000, -0.0002166400000000 ] - [ 0.0026288500000000, 0.0019461700000000, -0.0030664700000000 ] - [ 0.0000404900000000, 0.0002769700000000, -0.0001523400000000 ] - [ -0.0015790200000000, 0.0002945200000000, -0.0005175700000000 ] - [ 0.0001269100000000, -0.0000391100000000, -0.0004092800000000 ] - [ -0.0110104700000000, 0.0145952200000000, 0.0435737200000000 ] - [ 0.0001314600000000, -0.0010974900000000, 0.0000696500000000 ] - [ 0.0009553300000000, -0.0019296900000000, 0.0010191900000000 ] - [ 0.0035900100000000, 0.0017072300000000, 0.0026682500000000 ] - [ 0.0003736200000000, -0.0004875700000000, -0.0001863000000000 ] - [ -0.0000113000000000, 0.0000719900000000, -0.0000104500000000 ] - [ 0.0006167300000000, -0.0037297500000000, -0.0027714600000000 ] - [ -0.0003044200000000, -0.0001289600000000, 0.0002352000000000 ] - [ -0.0002772700000000, -0.0003115500000000, 0.0000753400000000 ] - [ -0.0017766500000000, -0.0020257600000000, -0.0009446400000000 ] - [ 0.0009668800000000, 0.0019116200000000, 0.0007062300000000 ] - [ 0.0002878900000000, -0.0001764200000000, -0.0000106200000000 ] - [ 0.0014850500000000, -0.0004241000000000, -0.0023124800000000 ] - [ 0.0002120100000000, -0.0002951900000000, 0.0001371600000000 ] - [ 0.0014985400000000, -0.0001675000000000, 0.0009556400000000 ] - [ 0.0000619800000000, 0.0000314900000000, 0.0002094000000000 ] - [ -0.0022302900000000, 0.0109181300000000, 0.0494570700000000 ] - [ -0.0001589300000000, -0.0010009800000000, 0.0000147200000000 ] - [ -0.0031064800000000, 0.0012072200000000, -0.0022569200000000 ] - [ -0.0001661300000000, -0.0008278300000000, -0.0001282200000000 ] - [ -0.0013185400000000, -0.0105548000000000, -0.0002502100000000 ] - [ 0.0001116000000000, -0.0004806500000000, 0.0004169100000000 ] - [ -0.0005898500000000, 0.0001855400000000, 0.0001500700000000 ] - [ -0.0006924700000000, 0.0000577600000000, 0.0005788700000000 ] - [ 0.0010691400000000, -0.0064189900000000, -0.0065639900000000 ] - [ -0.0001419900000000, -0.0003152400000000, -0.0001668800000000 ] - [ -0.0001580000000000, 0.0003007900000000, 0.0003842300000000 ] - [ -0.0000581800000000, -0.0002561500000000, 0.0000396100000000 ] - [ -0.0009050100000000, 0.0000412900000000, 0.0000930800000000 ] - [ -0.0003853500000000, -0.0004704100000000, -0.0001644600000000 ] - [ 0.0001704300000000, -0.0010319000000000, 0.0008860300000000 ] - [ 0.0000707400000000, -0.0001244700000000, -0.0000917200000000 ] - [ 0.0002127200000000, 0.0000201900000000, 0.0002167000000000 ] - [ 0.0001114300000000, 0.0005346000000000, -0.0000580300000000 ] - [ 0.0061030000000000, 0.0167507900000000, 0.0021093000000000 ] - [ -0.0001936500000000, 0.0006594700000000, -0.0004019700000000 ] - [ -0.0108976900000000, -0.0459895000000000, -0.1217471300000000 ] - [ 0.0003764300000000, -0.0000108300000000, 0.0000022700000000 ] - [ 0.0001366700000000, 0.0003919400000000, 0.0005445100000000 ] - [ 0.0001829300000000, 0.0002863700000000, 0.0004731700000000 ] - [ -0.0004813400000000, -0.0006607700000000, 0.0023610800000000 ] - [ 0.0001814800000000, 0.0004651100000000, -0.0000318000000000 ] - [ 0.0000844100000000, -0.0231689900000000, -0.0052640000000000 ] - [ 0.0001179100000000, 0.0013038300000000, -0.0000866600000000 ] - [ 0.0120044700000000, 0.0325756300000000, 0.0117068100000000 ] - [ 0.0002893600000000, 0.0001547100000000, -0.0000257800000000 ] - [ -0.0013916300000000, 0.0012249800000000, 0.0004244900000000 ] - [ 0.0004753500000000, 0.0008709300000000, -0.0002078600000000 ] - [ 0.0000468000000000, 0.0000614200000000, 0.0007921400000000 ] - [ 0.0002363300000000, 0.0007924800000000, -0.0000420500000000 ] - [ -0.0002340700000000, -0.0002102400000000, -0.0003988900000000 ] - [ -0.0002675500000000, 0.0004662100000000, -0.0000146800000000 ] - [ 0.0000355400000000, -0.0004777000000000, 0.0001307700000000 ] - [ 0.0000198200000000, 0.0003084300000000, 0.0008375500000000 ] - [ 0.0001903800000000, -0.0001418200000000, -0.0002369700000000 ] - [ -0.0000055500000000, 0.0000787000000000, -0.0001060200000000 ] - [ -0.0005010800000000, 0.0019859000000000, 0.0009429000000000 ] - [ -0.0001992800000000, -0.0001629100000000, 0.0000718700000000 ] - [ -0.0003953100000000, 0.0005057300000000, 0.0000755200000000 ] - [ -0.0002072100000000, 0.0004732100000000, 0.0001914300000000 ] - [ 0.0016320900000000, -0.0009216300000000, 0.0005013300000000 ] - [ 0.0001909200000000, -0.0000240100000000, 0.0001246600000000 ] - [ 0.0006389000000000, 0.0001886500000000, -0.0001033500000000 ] - [ 0.0001375800000000, 0.0005545700000000, 0.0001516900000000 ] - [ -0.0003236700000000, -0.0010143200000000, 0.0000367300000000 ] - [ -0.0003195900000000, -0.0003946600000000, -0.0001239500000000 ] - [ 0.0006238100000000, -0.0017377500000000, 0.0056361800000000 ] - [ -0.0002508500000000, 0.0006070300000000, 0.0003060700000000 ] - [ -0.0123952700000000, -0.0085785900000000, -0.0111920100000000 ] - [ 0.0004625800000000, -0.0001339200000000, -0.0001814900000000 ] - [ -0.0006707200000000, 0.0001765900000000, 0.0019078400000000 ] - [ -0.0000548900000000, 0.0004185600000000, -0.0001319800000000 ] - [ -0.0000015600000000, 0.0000785200000000, -0.0000376100000000 ] - [ 0.0001087600000000, 0.0004747700000000, -0.0000871500000000 ] - [ -0.0015285800000000, -0.0006356100000000, -0.0000922500000000 ] - [ -0.0000934400000000, 0.0001283800000000, 0.0001588300000000 ] - [ 0.0146717900000000, 0.0110560800000000, 0.0266496200000000 ] - [ 0.0000497100000000, 0.0000383100000000, 0.0002304100000000 ] - [ -0.0007323700000000, -0.0003681800000000, 0.0024817200000000 ] - [ 0.0001190500000000, -0.0002659500000000, 0.0003095500000000 ] - [ -0.0012256300000000, -0.0007814200000000, 0.0002482500000000 ] - [ -0.0003014900000000, 0.0009280200000000, 0.0001383300000000 ] - [ 0.0005137600000000, -0.0006686900000000, -0.0008967500000000 ] - [ -0.0002243800000000, -0.0000633000000000, -0.0005778100000000 ] - [ 0.0002263100000000, -0.0011487300000000, -0.0005566600000000 ] - [ 0.0002457000000000, -0.0000429800000000, 0.0006270000000000 ] - [ -0.0010856700000000, 0.0024825500000000, -0.0000511300000000 ] - [ -0.0004161400000000, -0.0022797700000000, 0.0002934600000000 ] - [ -0.0005558600000000, 0.0007461700000000, 0.0003792400000000 ] - [ -0.0000320400000000, 0.0002382400000000, 0.0002088000000000 ] - [ 0.0001026400000000, -0.0003509000000000, -0.0000642400000000 ] - [ 0.0004161400000000, 0.0002918900000000, -0.0002268100000000 ] - [ 0.0006485100000000, -0.0012274600000000, 0.0053666100000000 ] - [ -0.0005686900000000, -0.0004376500000000, 0.0001079000000000 ] - [ 0.0007394100000000, 0.0010706000000000, 0.0008011000000000 ] - [ 0.0000504600000000, 0.0005626500000000, -0.0002683600000000 ] - [ -0.0002012400000000, 0.0001480000000000, -0.0007959400000000 ] - [ -0.0004286100000000, 0.0022778500000000, -0.0039410800000000 ] - [ -0.0000163200000000, 0.0004097800000000, -0.0002823600000000 ] - [ 0.0000248400000000, 0.0006074700000000, -0.0003091400000000 ] - [ 0.0000319000000000, 0.0002106500000000, 0.0002653800000000 ] - [ 0.0006902700000000, -0.0000735300000000, 0.0005206800000000 ] - [ -0.0006281600000000, 0.0005308600000000, -0.0002955700000000 ] - [ -0.0004604100000000, 0.0007061200000000, 0.0000114900000000 ] - [ 0.0006319800000000, -0.0005666600000000, -0.0002167800000000 ] - [ 0.0022445600000000, 0.0027117900000000, 0.0031428000000000 ] - [ 0.0025827000000000, -0.0001830800000000, 0.0004386600000000 ] - [ 0.0002859600000000, 0.0003073100000000, -0.0000430300000000 ]- atom: 65 displacement: [ 0.0045139598196510, 0.0000000000000000, -0.0089232374588249 ] forces: - [ 0.0015943700000000, -0.0026646300000000, 0.0007071600000000 ] - [ 0.0005756300000000, 0.0004295900000000, 0.0002378300000000 ] - [ -0.0034571500000000, -0.0004158100000000, 0.0011121600000000 ] - [ 0.0001813300000000, 0.0007042500000000, 0.0000593600000000 ] - [ -0.0005071300000000, 0.0003445600000000, 0.0003027300000000 ] - [ -0.0006513600000000, 0.0005442600000000, 0.0004618600000000 ] - [ 0.0007074000000000, -0.0009102800000000, -0.0055194200000000 ] - [ -0.0002879500000000, 0.0004541800000000, -0.0001812300000000 ] - [ -0.0000027400000000, -0.0000339100000000, 0.0033338400000000 ] - [ 0.0001195600000000, 0.0009016100000000, -0.0001111100000000 ] - [ -0.0005481000000000, -0.0010010600000000, -0.0000796300000000 ] - [ -0.0002219400000000, 0.0010095500000000, 0.0002375600000000 ] - [ 0.0004539800000000, -0.0009738000000000, 0.0000275600000000 ] - [ 0.0001402500000000, 0.0000470900000000, -0.0003989900000000 ] - [ -0.0005100000000000, 0.0007658000000000, 0.0009422200000000 ] - [ -0.0003615200000000, 0.0007311100000000, 0.0001303400000000 ] - [ -0.0000991600000000, 0.0001518300000000, -0.0004517100000000 ] - [ -0.0001167400000000, 0.0007407200000000, -0.0001101100000000 ] - [ 0.0027529300000000, 0.0006132700000000, 0.0023002900000000 ] - [ -0.0003068500000000, 0.0002267600000000, 0.0000282300000000 ] - [ -0.0001183800000000, 0.0000813800000000, -0.0002614000000000 ] - [ -0.0003874200000000, 0.0006473300000000, -0.0008077300000000 ] - [ -0.0002780700000000, -0.0001777000000000, 0.0006973900000000 ] - [ -0.0001762700000000, 0.0001459400000000, 0.0007421200000000 ] - [ -0.0025602500000000, -0.0005908200000000, 0.0029665100000000 ] - [ 0.0000190700000000, 0.0010785100000000, 0.0000594500000000 ] - [ 0.0021459100000000, 0.0002007900000000, -0.0000116200000000 ] - [ 0.0004430600000000, 0.0005513500000000, -0.0001114400000000 ] - [ 0.0113322000000000, -0.0169516700000000, -0.0440219100000000 ] - [ 0.0002222900000000, 0.0002206200000000, -0.0003030100000000 ] - [ -0.0008968200000000, 0.0005855400000000, -0.0011149600000000 ] - [ -0.0034913400000000, -0.0029494600000000, -0.0027499900000000 ] - [ 0.0004263800000000, 0.0002744800000000, 0.0004072400000000 ] - [ 0.0008162200000000, -0.0002911600000000, 0.0002294400000000 ] - [ -0.0009688700000000, 0.0028410600000000, 0.0029882600000000 ] - [ -0.0000522000000000, -0.0007350800000000, -0.0000043300000000 ] - [ 0.0004734200000000, -0.0005710100000000, 0.0001415900000000 ] - [ 0.0019793800000000, 0.0011441000000000, 0.0011649500000000 ] - [ -0.0001776700000000, -0.0017136600000000, -0.0005101800000000 ] - [ 0.0005127400000000, 0.0003956500000000, 0.0002329100000000 ] - [ -0.0012463200000000, 0.0006418800000000, 0.0025174200000000 ] - [ 0.0000423200000000, 0.0005170000000000, 0.0000560800000000 ] - [ -0.0013117700000000, 0.0010611100000000, -0.0007496000000000 ] - [ 0.0001353100000000, 0.0008602500000000, 0.0000039600000000 ] - [ 0.0015582000000000, -0.0127787200000000, -0.0491446100000000 ] - [ 0.0000984700000000, -0.0003414100000000, 0.0000803800000000 ] - [ 0.0029162800000000, -0.0021110400000000, 0.0020508800000000 ] - [ -0.0000302900000000, -0.0000529900000000, -0.0000863500000000 ] - [ 0.0015875400000000, 0.0103987500000000, 0.0004770000000000 ] - [ 0.0001444500000000, 0.0002711700000000, -0.0002225200000000 ] - [ 0.0000224300000000, 0.0003253200000000, 0.0003726800000000 ] - [ 0.0001277400000000, 0.0004514800000000, -0.0000560900000000 ] - [ -0.0013376300000000, 0.0062264600000000, 0.0063752400000000 ] - [ -0.0001145400000000, 0.0001077500000000, -0.0000280200000000 ] - [ -0.0006227300000000, -0.0000972500000000, -0.0006029400000000 ] - [ -0.0007426000000000, 0.0004765800000000, -0.0002619500000000 ] - [ 0.0002907700000000, -0.0007208100000000, 0.0003569000000000 ] - [ -0.0002608900000000, -0.0002166600000000, 0.0006183100000000 ] - [ -0.0000197400000000, 0.0003471000000000, -0.0008251000000000 ] - [ 0.0000818800000000, -0.0005760800000000, 0.0001650800000000 ] - [ 0.0003967000000000, 0.0006597100000000, -0.0006608900000000 ] - [ 0.0005038200000000, 0.0001376900000000, -0.0003879000000000 ] - [ -0.0064780000000000, -0.0156048900000000, -0.0025104400000000 ] - [ -0.0001133900000000, 0.0005214400000000, -0.0000636100000000 ] - [ 0.0123252500000000, 0.0468279200000000, 0.1218052000000000 ] - [ 0.0002798400000000, -0.0010196200000000, -0.0000643400000000 ] - [ -0.0000076600000000, 0.0002483300000000, 0.0002862800000000 ] - [ -0.0000547600000000, 0.0003565300000000, 0.0003567500000000 ] - [ 0.0009999900000000, 0.0009820700000000, -0.0023120600000000 ] - [ 0.0003284800000000, -0.0001661200000000, 0.0000956800000000 ] - [ 0.0002056000000000, 0.0242916100000000, 0.0058533600000000 ] - [ 0.0001905900000000, -0.0001166800000000, 0.0005521600000000 ] - [ -0.0113817500000000, -0.0326496900000000, -0.0116294900000000 ] - [ 0.0002184100000000, -0.0004639500000000, 0.0000854400000000 ] - [ 0.0025245500000000, 0.0000021900000000, -0.0006101800000000 ] - [ 0.0006377300000000, 0.0003588700000000, 0.0000220700000000 ] - [ 0.0006081700000000, 0.0009800000000000, -0.0008549000000000 ] - [ 0.0004226600000000, 0.0002226000000000, -0.0000151100000000 ] - [ -0.0002761000000000, 0.0005094800000000, 0.0003359200000000 ] - [ -0.0002392800000000, -0.0001616600000000, -0.0000482400000000 ] - [ -0.0001876900000000, -0.0002216400000000, -0.0002018400000000 ] - [ -0.0001723400000000, -0.0010083200000000, -0.0009113600000000 ] - [ 0.0001680900000000, 0.0000099200000000, 0.0000004600000000 ] - [ 0.0003713600000000, -0.0002185500000000, -0.0001342700000000 ] - [ -0.0000047900000000, -0.0023016500000000, -0.0009959600000000 ] - [ -0.0003065800000000, -0.0001510300000000, -0.0001272300000000 ] - [ 0.0001260600000000, 0.0000364200000000, -0.0000685700000000 ] - [ -0.0000642000000000, 0.0000689500000000, -0.0001857500000000 ] - [ -0.0013620700000000, 0.0003895600000000, -0.0005054800000000 ] - [ 0.0000809900000000, -0.0005249200000000, -0.0001325700000000 ] - [ -0.0004842200000000, 0.0005178200000000, 0.0001809800000000 ] - [ 0.0000147200000000, 0.0001382500000000, -0.0000827400000000 ] - [ 0.0000140600000000, -0.0001874500000000, -0.0005000000000000 ] - [ 0.0000120200000000, -0.0007953500000000, -0.0003391700000000 ] - [ -0.0012171800000000, 0.0023865900000000, -0.0051181400000000 ] - [ -0.0003632800000000, 0.0000658200000000, 0.0001407100000000 ] - [ 0.0130801500000000, 0.0079423400000000, 0.0107028400000000 ] - [ 0.0001533600000000, -0.0005462000000000, -0.0002679100000000 ] - [ 0.0006158200000000, 0.0001774000000000, -0.0023143400000000 ] - [ 0.0000012800000000, -0.0000679700000000, -0.0002739500000000 ] - [ 0.0002699200000000, 0.0004750500000000, 0.0000276900000000 ] - [ 0.0001630000000000, 0.0000662200000000, 0.0000818300000000 ] - [ 0.0011747000000000, 0.0005021600000000, 0.0003335300000000 ] - [ -0.0002741500000000, -0.0002691500000000, 0.0000807200000000 ] - [ -0.0149031800000000, -0.0115065000000000, -0.0265785900000000 ] - [ 0.0000044900000000, -0.0003975800000000, 0.0001757400000000 ] - [ 0.0010372000000000, -0.0008152900000000, -0.0020079000000000 ] - [ 0.0001912600000000, -0.0009351200000000, 0.0001545400000000 ] - [ 0.0005641900000000, 0.0017955000000000, -0.0001922000000000 ] - [ -0.0003560000000000, 0.0000906800000000, -0.0000784200000000 ] - [ -0.0006575800000000, 0.0000358600000000, 0.0000618900000000 ] - [ 0.0000974300000000, -0.0005827800000000, -0.0002496000000000 ] - [ -0.0000973800000000, 0.0005063800000000, 0.0013915700000000 ] - [ -0.0001174300000000, -0.0006020800000000, 0.0002021200000000 ] - [ 0.0004313800000000, -0.0035148900000000, 0.0001117900000000 ] - [ -0.0002359100000000, 0.0012219700000000, -0.0002192800000000 ] - [ 0.0006102500000000, -0.0003853400000000, 0.0000256200000000 ] - [ 0.0000855700000000, 0.0001117900000000, 0.0001979600000000 ] - [ -0.0003751100000000, -0.0001945700000000, 0.0000703400000000 ] - [ -0.0006909200000000, -0.0008403400000000, 0.0002340900000000 ] - [ -0.0017611900000000, -0.0000014800000000, -0.0052075700000000 ] - [ -0.0005424700000000, -0.0008005000000000, 0.0000837800000000 ] - [ -0.0008629500000000, -0.0004158000000000, -0.0016252200000000 ] - [ -0.0001821400000000, 0.0000762500000000, -0.0005622200000000 ] - [ 0.0001482100000000, -0.0005057700000000, 0.0003911800000000 ] - [ 0.0003691900000000, -0.0026506300000000, 0.0035191600000000 ] - [ -0.0001358400000000, 0.0002845500000000, 0.0002154100000000 ] - [ -0.0001782500000000, 0.0000859700000000, 0.0002399200000000 ] - [ -0.0003971400000000, -0.0000763400000000, -0.0000236900000000 ] - [ -0.0010602700000000, 0.0002127400000000, -0.0002791700000000 ] - [ -0.0004806500000000, 0.0007054000000000, 0.0004838400000000 ] - [ -0.0006534000000000, 0.0005240500000000, 0.0001755500000000 ] - [ 0.0004805700000000, -0.0006698300000000, 0.0000272400000000 ] - [ -0.0011379300000000, -0.0039530100000000, -0.0033441600000000 ] - [ -0.0022115600000000, 0.0003281600000000, -0.0006802400000000 ] - [ 0.0000806100000000, -0.0001727000000000, -0.0001976700000000 ]- atom: 67 displacement: [ 0.0099999786541794, 0.0000000000000000, -0.0000206619446251 ] forces: - [ 0.0004162500000000, 0.0001270800000000, 0.0000831200000000 ] - [ 0.0034491300000000, -0.0006817000000000, -0.0012180300000000 ] - [ 0.0009277900000000, -0.0005860800000000, 0.0007314000000000 ] - [ 0.0003004300000000, 0.0022115900000000, 0.0006712300000000 ] - [ -0.0037845900000000, -0.0013719300000000, -0.0017544700000000 ] - [ -0.0002258900000000, 0.0009654400000000, -0.0001192800000000 ] - [ -0.0062998600000000, 0.0030253600000000, -0.0039117600000000 ] - [ -0.0002697200000000, 0.0001060300000000, -0.0000194100000000 ] - [ -0.0000265800000000, 0.0008365800000000, -0.0008063400000000 ] - [ -0.0007205700000000, 0.0029425500000000, -0.0009452600000000 ] - [ -0.0064180700000000, -0.0055961000000000, -0.0016826400000000 ] - [ -0.0000732000000000, 0.0013409900000000, 0.0002202700000000 ] - [ 0.0003931900000000, 0.0004867400000000, -0.0006345400000000 ] - [ 0.0024937400000000, -0.0005633600000000, 0.0006558700000000 ] - [ -0.0000401700000000, 0.0012052800000000, -0.0000415000000000 ] - [ -0.0088770300000000, 0.0029174900000000, -0.0007356100000000 ] - [ -0.0000574200000000, 0.0010790400000000, 0.0000296200000000 ] - [ 0.0016422600000000, 0.0013613300000000, 0.0019863400000000 ] - [ -0.0019057100000000, 0.0011890900000000, 0.0010624400000000 ] - [ -0.0004630400000000, -0.0001457000000000, -0.0000238300000000 ] - [ -0.0030203700000000, 0.0033201000000000, 0.0067129900000000 ] - [ -0.0000063400000000, 0.0007120200000000, 0.0000635700000000 ] - [ 0.0009841800000000, 0.0009465400000000, 0.0029765900000000 ] - [ -0.0001557800000000, 0.0001853900000000, 0.0005188300000000 ] - [ -0.0035307100000000, -0.0012301900000000, -0.0018158100000000 ] - [ -0.0003271400000000, 0.0017711500000000, 0.0000921100000000 ] - [ 0.0007724600000000, 0.0010274300000000, 0.0002714400000000 ] - [ 0.0005245500000000, -0.0003015600000000, 0.0000447300000000 ] - [ 0.0001596800000000, 0.0004256900000000, -0.0001687300000000 ] - [ -0.0002740400000000, -0.0007057300000000, -0.0009285900000000 ] - [ -0.0010250100000000, -0.0015784500000000, -0.0024467200000000 ] - [ -0.0000821000000000, -0.0000849500000000, -0.0001799700000000 ] - [ 0.0625659300000000, 0.0074097000000000, -0.0232244100000000 ] - [ 0.0003847300000000, 0.0002894900000000, -0.0000514200000000 ] - [ -0.0002066900000000, -0.0017295200000000, -0.0013779200000000 ] - [ -0.0002666400000000, 0.0003269900000000, -0.0000457900000000 ] - [ -0.0055619700000000, -0.0126931700000000, 0.0134521000000000 ] - [ 0.0001355600000000, 0.0001659500000000, 0.0002024500000000 ] - [ 0.0015298800000000, -0.0003782900000000, 0.0010638800000000 ] - [ 0.0004704300000000, 0.0005172000000000, 0.0003921700000000 ] - [ -0.0007364100000000, 0.0004704200000000, -0.0022858600000000 ] - [ -0.0001121000000000, 0.0009376500000000, -0.0001497500000000 ] - [ 0.0065301100000000, 0.0041609500000000, -0.0074460700000000 ] - [ 0.0001806200000000, 0.0010650600000000, 0.0000564600000000 ] - [ -0.0003562600000000, -0.0011361100000000, -0.0004472100000000 ] - [ -0.0003411700000000, -0.0003621300000000, -0.0002286600000000 ] - [ 0.0020455900000000, 0.0004691900000000, 0.0009472000000000 ] - [ 0.0006513100000000, 0.0000666400000000, -0.0004931800000000 ] - [ 0.0002085100000000, 0.0006207000000000, 0.0001604800000000 ] - [ -0.0020440800000000, -0.0032232700000000, -0.0023328900000000 ] - [ 0.1851284800000000, -0.0870274200000000, 0.0301690600000000 ] - [ -0.0003591400000000, 0.0006927200000000, 0.0000395900000000 ] - [ 0.0009577000000000, -0.0021280900000000, 0.0004468800000000 ] - [ -0.0001654700000000, 0.0006084800000000, -0.0002625300000000 ] - [ -0.0005123000000000, 0.0006030000000000, -0.0004114900000000 ] - [ 0.0003426300000000, -0.0008105700000000, -0.0007478500000000 ] - [ -0.0002937600000000, 0.0005672600000000, 0.0009769000000000 ] - [ -0.0001657200000000, -0.0006728900000000, 0.0003594200000000 ] - [ -0.0004748200000000, -0.0008577000000000, 0.0001784200000000 ] - [ -0.0007111600000000, -0.0007381200000000, -0.0002393800000000 ] - [ 0.0003380800000000, 0.0000610200000000, -0.0001449700000000 ] - [ 0.0031404500000000, -0.0225218700000000, 0.0248923400000000 ] - [ 0.0009360900000000, 0.0017134200000000, 0.0012760400000000 ] - [ -0.0000536700000000, 0.0001697000000000, -0.0002392900000000 ] - [ 0.0009066300000000, -0.0011907700000000, 0.0003409600000000 ] - [ 0.0004922000000000, -0.0003052000000000, 0.0001851100000000 ] - [ -0.2974136800000000, 0.1302714400000000, -0.0167316700000000 ] - [ 0.0001611500000000, -0.0000012600000000, 0.0005833000000000 ] - [ 0.0006637200000000, -0.0005030500000000, 0.0008405500000000 ] - [ 0.0006196100000000, -0.0008169900000000, 0.0008280700000000 ] - [ 0.0001329500000000, 0.0000479700000000, 0.0004326600000000 ] - [ 0.0006801900000000, 0.0010506100000000, 0.0011031800000000 ] - [ 0.0002610500000000, -0.0007416900000000, -0.0000470100000000 ] - [ 0.0011210900000000, 0.0014977400000000, 0.0010284100000000 ] - [ 0.0007524600000000, -0.0013456800000000, 0.0031468700000000 ] - [ 0.0006625700000000, 0.0002182600000000, 0.0002026000000000 ] - [ 0.0004017800000000, 0.0000524500000000, 0.0002085200000000 ] - [ 0.0030883800000000, -0.0013859000000000, 0.0015563600000000 ] - [ 0.0099303300000000, 0.0013888000000000, -0.0039057100000000 ] - [ -0.0003610600000000, -0.0003717500000000, -0.0002283300000000 ] - [ 0.0018344600000000, -0.0000525500000000, -0.0042890900000000 ] - [ -0.0000706600000000, -0.0007063900000000, -0.0002867600000000 ] - [ 0.0002435400000000, -0.0003664800000000, -0.0000202500000000 ] - [ -0.0007462500000000, 0.0004245000000000, -0.0003892400000000 ] - [ -0.0010764200000000, 0.0012758500000000, 0.0014182800000000 ] - [ -0.0001450000000000, -0.0006830300000000, 0.0001754300000000 ] - [ -0.0010813600000000, 0.0006681800000000, 0.0013989700000000 ] - [ -0.0001333000000000, -0.0000844700000000, -0.0001500100000000 ] - [ -0.0003176100000000, -0.0006993900000000, -0.0004732300000000 ] - [ -0.0005064100000000, -0.0000986700000000, 0.0000784300000000 ] - [ -0.0000287600000000, -0.0000990400000000, -0.0003704900000000 ] - [ -0.0002737400000000, 0.0003280700000000, -0.0009843600000000 ] - [ 0.0050473600000000, 0.0001588100000000, 0.0014077100000000 ] - [ -0.0001965100000000, -0.0011482000000000, -0.0001108800000000 ] - [ 0.0023837800000000, -0.0001421400000000, -0.0002362900000000 ] - [ -0.0000806200000000, 0.0001069100000000, 0.0001041000000000 ] - [ -0.0002185800000000, -0.0003096100000000, -0.0005806400000000 ] - [ 0.0003850600000000, -0.0006566200000000, -0.0003961900000000 ] - [ 0.0009153600000000, 0.0008810600000000, 0.0011705000000000 ] - [ 0.0000716200000000, -0.0003418200000000, -0.0001758900000000 ] - [ -0.0000934300000000, -0.0000282100000000, 0.0001163400000000 ] - [ -0.0008287700000000, -0.0000587100000000, -0.0004582600000000 ] - [ -0.0030587500000000, -0.0007093600000000, 0.0000542600000000 ] - [ -0.0003063600000000, -0.0004190400000000, -0.0000709400000000 ] - [ -0.0000272900000000, 0.0004142900000000, 0.0004559800000000 ] - [ -0.0000092800000000, -0.0005602700000000, 0.0003833300000000 ] - [ 0.0007283100000000, -0.0002024300000000, 0.0006597200000000 ] - [ 0.0005307300000000, -0.0019203600000000, 0.0001308600000000 ] - [ 0.0015307700000000, 0.0049188100000000, 0.0016302000000000 ] - [ -0.0003485500000000, -0.0003473200000000, -0.0001575700000000 ] - [ 0.0000420000000000, -0.0007567300000000, -0.0001613500000000 ] - [ -0.0009934000000000, 0.0009911000000000, -0.0002688400000000 ] - [ -0.0010987200000000, -0.0008303400000000, -0.0005836400000000 ] - [ -0.0000816700000000, -0.0006576000000000, 0.0001803600000000 ] - [ 0.0000545300000000, 0.0002636300000000, 0.0011127300000000 ] - [ -0.0002290300000000, -0.0011560500000000, 0.0002100700000000 ] - [ 0.0000033600000000, -0.0001211300000000, 0.0002179000000000 ] - [ 0.0040604700000000, -0.0026516700000000, -0.0010667000000000 ] - [ 0.0469967500000000, -0.0198598200000000, -0.0114780800000000 ] - [ -0.0001777000000000, -0.0005958300000000, 0.0001405600000000 ] - [ -0.0021151300000000, 0.0000747700000000, -0.0007469800000000 ] - [ -0.0007147600000000, -0.0009737000000000, 0.0003318700000000 ] - [ -0.0001253500000000, -0.0003553300000000, -0.0011772300000000 ] - [ -0.0001206400000000, 0.0003070600000000, -0.0005209700000000 ] - [ 0.0015724200000000, 0.0012667200000000, 0.0018264600000000 ] - [ -0.0000147500000000, -0.0005932300000000, -0.0001047900000000 ] - [ 0.0006623900000000, -0.0159173600000000, 0.0174699200000000 ] - [ -0.0001166700000000, -0.0000077700000000, 0.0002086600000000 ] - [ -0.0034580400000000, 0.0123100000000000, -0.0235825700000000 ] - [ -0.0001538600000000, -0.0002153900000000, 0.0001887500000000 ] - [ -0.0007074800000000, 0.0002109100000000, -0.0001200000000000 ] - [ -0.0013285900000000, -0.0007782800000000, -0.0035889600000000 ] - [ 0.0035838400000000, 0.0038704400000000, 0.0003380300000000 ] - [ 0.0004508200000000, -0.0010326100000000, -0.0002659400000000 ] - [ 0.0001904200000000, -0.0020942200000000, -0.0011290300000000 ] - [ -0.0000689900000000, -0.0000785200000000, -0.0001808800000000 ]- atom: 67 displacement: [ -0.0099999786541794, 0.0000000000000000, 0.0000206619446251 ] forces: - [ 0.0000542400000000, -0.0007882600000000, 0.0000208500000000 ] - [ -0.0029738400000000, -0.0000025500000000, 0.0013844100000000 ] - [ -0.0004584200000000, 0.0012324500000000, -0.0006294400000000 ] - [ 0.0001796400000000, -0.0015652600000000, -0.0005717300000000 ] - [ 0.0033210000000000, 0.0020483900000000, 0.0016515800000000 ] - [ -0.0002484200000000, -0.0003214400000000, 0.0000156200000000 ] - [ 0.0058797500000000, -0.0037090000000000, 0.0038476700000000 ] - [ -0.0002033400000000, -0.0007683500000000, -0.0000870000000000 ] - [ 0.0003812000000000, 0.0000357500000000, 0.0005754800000000 ] - [ 0.0010765300000000, -0.0020754500000000, 0.0007144700000000 ] - [ 0.0060408400000000, 0.0065031300000000, 0.0019077200000000 ] - [ -0.0002809800000000, -0.0004694600000000, 0.0000119400000000 ] - [ 0.0001750200000000, -0.0010033400000000, 0.0001152600000000 ] - [ -0.0019275600000000, 0.0000519100000000, -0.0011982300000000 ] - [ -0.0000188700000000, 0.0001367500000000, 0.0001354900000000 ] - [ 0.0089697000000000, -0.0015497900000000, 0.0007742600000000 ] - [ -0.0001409400000000, -0.0002018100000000, -0.0002444300000000 ] - [ -0.0018467500000000, -0.0004606700000000, -0.0021948500000000 ] - [ 0.0011132600000000, -0.0014222400000000, -0.0012955400000000 ] - [ -0.0003429400000000, -0.0000763600000000, -0.0002007100000000 ] - [ 0.0027646100000000, -0.0030702200000000, -0.0068981600000000 ] - [ -0.0002501000000000, -0.0005051200000000, -0.0002573600000000 ] - [ -0.0015669200000000, -0.0014427100000000, -0.0024397500000000 ] - [ -0.0004146300000000, -0.0006992800000000, 0.0000022600000000 ] - [ 0.0036066100000000, 0.0025801700000000, 0.0017190100000000 ] - [ 0.0003858500000000, -0.0004287500000000, -0.0001861700000000 ] - [ -0.0002098200000000, -0.0005294400000000, -0.0008022400000000 ] - [ 0.0000238500000000, 0.0008007300000000, -0.0005641200000000 ] - [ 0.0001930100000000, -0.0013223600000000, -0.0000624500000000 ] - [ 0.0006258900000000, -0.0001794200000000, 0.0007019800000000 ] - [ 0.0010948900000000, 0.0002378200000000, 0.0023752100000000 ] - [ 0.0001446300000000, -0.0012749200000000, 0.0000891900000000 ] - [ -0.0612135600000000, -0.0069057100000000, 0.0221801800000000 ] - [ 0.0004170900000000, -0.0005123500000000, 0.0002738600000000 ] - [ -0.0001430600000000, 0.0008698200000000, 0.0016379600000000 ] - [ -0.0000847600000000, -0.0012237800000000, 0.0002820400000000 ] - [ 0.0055850500000000, 0.0120282200000000, -0.0134158300000000 ] - [ 0.0000607100000000, -0.0010624100000000, 0.0000105500000000 ] - [ -0.0007409500000000, 0.0005981500000000, -0.0008340700000000 ] - [ 0.0003281200000000, -0.0003069600000000, -0.0001738500000000 ] - [ 0.0009971200000000, -0.0002596300000000, 0.0024936700000000 ] - [ 0.0003675700000000, -0.0007297000000000, 0.0003434300000000 ] - [ -0.0063836700000000, -0.0032982300000000, 0.0077330600000000 ] - [ 0.0000161300000000, -0.0001869500000000, 0.0001576400000000 ] - [ 0.0002944500000000, -0.0002113000000000, 0.0005492000000000 ] - [ 0.0002822400000000, -0.0009954300000000, 0.0003269300000000 ] - [ -0.0022630200000000, -0.0013659300000000, -0.0011738600000000 ] - [ -0.0008509000000000, -0.0009736800000000, 0.0002734800000000 ] - [ 0.0000446000000000, -0.0008468800000000, 0.0000308500000000 ] - [ 0.0023009300000000, 0.0030322100000000, 0.0025126400000000 ] - [ -0.1935176900000000, 0.0950279500000000, -0.0331443000000000 ] - [ -0.0002073600000000, -0.0001929900000000, 0.0004880700000000 ] - [ -0.0012220100000000, 0.0019410900000000, -0.0006511600000000 ] - [ -0.0000866100000000, -0.0008371300000000, 0.0000738600000000 ] - [ -0.0002864700000000, -0.0003936900000000, 0.0001948000000000 ] - [ -0.0011477600000000, 0.0010481500000000, 0.0005169900000000 ] - [ -0.0003217200000000, -0.0012570000000000, -0.0005302900000000 ] - [ -0.0004505400000000, 0.0000015700000000, 0.0000870300000000 ] - [ 0.0006295800000000, 0.0001684500000000, -0.0001080800000000 ] - [ 0.0008629200000000, 0.0000494400000000, 0.0003190800000000 ] - [ 0.0002740800000000, 0.0006206400000000, -0.0003044100000000 ] - [ -0.0026576000000000, 0.0230867500000000, -0.0252505900000000 ] - [ -0.0012519300000000, -0.0005351000000000, -0.0017635400000000 ] - [ -0.0002573800000000, 0.0010323100000000, -0.0002260400000000 ] - [ -0.0002548500000000, 0.0001769500000000, -0.0004069900000000 ] - [ 0.0001639500000000, -0.0007158500000000, -0.0002470000000000 ] - [ 0.3056679200000000, -0.1384695000000000, 0.0221066100000000 ] - [ -0.0000361100000000, 0.0006493600000000, 0.0002451600000000 ] - [ -0.0001594900000000, 0.0008156400000000, -0.0007846300000000 ] - [ -0.0001124700000000, 0.0011275100000000, -0.0007713700000000 ] - [ 0.0001776700000000, 0.0011576800000000, 0.0000300400000000 ] - [ -0.0003773300000000, 0.0001407800000000, -0.0006495700000000 ] - [ 0.0002482200000000, 0.0004459200000000, 0.0001090600000000 ] - [ -0.0006125500000000, -0.0018118800000000, -0.0009690000000000 ] - [ 0.0003599300000000, 0.0025951400000000, -0.0033611200000000 ] - [ 0.0004493500000000, 0.0010194200000000, -0.0003928100000000 ] - [ 0.0002522200000000, 0.0009803800000000, -0.0002735500000000 ] - [ -0.0024668100000000, 0.0024176300000000, -0.0016216000000000 ] - [ -0.0102554100000000, -0.0010780800000000, 0.0037426800000000 ] - [ -0.0001464700000000, 0.0006842000000000, 0.0001690200000000 ] - [ -0.0019632300000000, -0.0006837100000000, 0.0042350600000000 ] - [ -0.0000797400000000, 0.0000160900000000, 0.0002189000000000 ] - [ 0.0001204700000000, 0.0002338300000000, -0.0002214500000000 ] - [ 0.0011157200000000, -0.0005725100000000, 0.0001524900000000 ] - [ 0.0005647900000000, -0.0016059300000000, -0.0014935500000000 ] - [ -0.0003662000000000, 0.0003891100000000, -0.0002402900000000 ] - [ 0.0008262700000000, -0.0001325200000000, -0.0014184900000000 ] - [ -0.0001372300000000, 0.0006362000000000, 0.0001592300000000 ] - [ 0.0005932200000000, 0.0001609900000000, 0.0004729100000000 ] - [ 0.0007873000000000, -0.0004269300000000, -0.0000864200000000 ] - [ 0.0001808900000000, 0.0008016800000000, 0.0004463700000000 ] - [ 0.0004340800000000, 0.0003684800000000, 0.0010460500000000 ] - [ -0.0053079900000000, -0.0014158900000000, -0.0018234000000000 ] - [ -0.0001121800000000, -0.0000366000000000, -0.0003549000000000 ] - [ -0.0030140300000000, 0.0008288400000000, 0.0006928400000000 ] - [ -0.0005317400000000, 0.0005752200000000, 0.0003471900000000 ] - [ 0.0008395400000000, -0.0003660200000000, 0.0001294100000000 ] - [ 0.0002312800000000, -0.0000167100000000, -0.0000528800000000 ] - [ -0.0009740600000000, -0.0005293000000000, -0.0015813300000000 ] - [ -0.0001250200000000, 0.0007027200000000, -0.0002310700000000 ] - [ 0.0003659400000000, 0.0005796200000000, -0.0001266800000000 ] - [ 0.0010984700000000, 0.0006016800000000, 0.0004553900000000 ] - [ 0.0027163300000000, 0.0005758900000000, 0.0001745900000000 ] - [ -0.0000576800000000, 0.0002860300000000, 0.0003123800000000 ] - [ 0.0000821000000000, -0.0007771800000000, -0.0000552800000000 ] - [ 0.0000614400000000, 0.0002137100000000, 0.0000192800000000 ] - [ -0.0004233800000000, -0.0009849100000000, -0.0001940700000000 ] - [ -0.0002225500000000, 0.0007335100000000, 0.0003367300000000 ] - [ -0.0021880200000000, -0.0039041600000000, -0.0015684800000000 ] - [ -0.0003063900000000, 0.0013800300000000, 0.0002224300000000 ] - [ -0.0001733400000000, 0.0001208500000000, -0.0006722800000000 ] - [ 0.0008711800000000, -0.0016409700000000, -0.0005473300000000 ] - [ 0.0012329800000000, 0.0001812600000000, 0.0014078400000000 ] - [ 0.0002121600000000, 0.0000203200000000, 0.0006523200000000 ] - [ -0.0007182300000000, -0.0013021300000000, -0.0010686100000000 ] - [ -0.0004300000000000, 0.0001450500000000, -0.0001521600000000 ] - [ 0.0000497800000000, 0.0004820000000000, 0.0001883500000000 ] - [ -0.0039627200000000, 0.0029369200000000, 0.0015143100000000 ] - [ -0.0483884300000000, 0.0198806600000000, 0.0118595400000000 ] - [ -0.0000926800000000, 0.0000566700000000, -0.0001362700000000 ] - [ 0.0010112300000000, -0.0013186200000000, 0.0009488500000000 ] - [ -0.0004023700000000, -0.0002491500000000, -0.0001460500000000 ] - [ -0.0000005800000000, 0.0010059200000000, 0.0003559800000000 ] - [ -0.0000000400000000, 0.0003408300000000, -0.0003057000000000 ] - [ -0.0016302900000000, -0.0016437700000000, -0.0022404600000000 ] - [ -0.0000386200000000, 0.0002454200000000, -0.0003024200000000 ] - [ -0.0008418400000000, 0.0168121400000000, -0.0177913000000000 ] - [ -0.0000339700000000, 0.0007094500000000, -0.0002828300000000 ] - [ 0.0032763100000000, -0.0122430400000000, 0.0239555400000000 ] - [ -0.0002137500000000, 0.0003588400000000, 0.0000495400000000 ] - [ -0.0004040300000000, 0.0010284800000000, 0.0003108800000000 ] - [ 0.0002152800000000, 0.0019950500000000, 0.0037609000000000 ] - [ -0.0024510000000000, -0.0051421000000000, -0.0004992800000000 ] - [ 0.0006648100000000, -0.0001933800000000, 0.0000802900000000 ] - [ 0.0001802800000000, 0.0022528300000000, 0.0008976300000000 ] - [ 0.0004411500000000, 0.0002231400000000, -0.0000546900000000 ]- atom: 67 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000559900000000, -0.0017276200000000, -0.0000430400000000 ] - [ -0.0009433000000000, -0.0024675600000000, 0.0051556900000000 ] - [ -0.0010347500000000, -0.0012062900000000, -0.0001625700000000 ] - [ 0.0009031300000000, -0.0018140700000000, -0.0005564400000000 ] - [ 0.0014597200000000, 0.0036185600000000, 0.0010296700000000 ] - [ -0.0003760100000000, -0.0011622400000000, 0.0000424900000000 ] - [ 0.0055761300000000, -0.0019305700000000, 0.0010474400000000 ] - [ -0.0002019200000000, -0.0016299700000000, -0.0002000600000000 ] - [ 0.0003905700000000, -0.0010756400000000, 0.0004549200000000 ] - [ 0.0008970800000000, -0.0021368500000000, 0.0005431500000000 ] - [ -0.0020951200000000, 0.0063351900000000, -0.0012891700000000 ] - [ -0.0003836300000000, -0.0015064100000000, -0.0000723600000000 ] - [ 0.0005461000000000, -0.0018559000000000, 0.0007005200000000 ] - [ -0.0002081200000000, -0.0019918400000000, -0.0020084100000000 ] - [ 0.0000735100000000, -0.0007141500000000, 0.0002176500000000 ] - [ 0.0145026400000000, 0.0040123100000000, -0.0030737900000000 ] - [ -0.0002097600000000, -0.0011028600000000, -0.0001288000000000 ] - [ -0.0009821500000000, 0.0014366800000000, -0.0008981000000000 ] - [ 0.0008588400000000, -0.0007762000000000, -0.0011046800000000 ] - [ -0.0008739400000000, -0.0008018400000000, -0.0005619700000000 ] - [ 0.0036155500000000, 0.0064879000000000, -0.0037613000000000 ] - [ -0.0003836800000000, -0.0014037300000000, -0.0002881400000000 ] - [ -0.0017341900000000, 0.0019700700000000, 0.0023958800000000 ] - [ -0.0006414500000000, -0.0013369200000000, -0.0002814200000000 ] - [ 0.0012864400000000, 0.0010236100000000, 0.0002272400000000 ] - [ 0.0000380600000000, -0.0009224900000000, -0.0002785500000000 ] - [ 0.0002373600000000, -0.0007046200000000, -0.0010874900000000 ] - [ -0.0012269400000000, -0.0003908700000000, -0.0002828300000000 ] - [ 0.0001126200000000, -0.0020970500000000, -0.0001961000000000 ] - [ 0.0001700300000000, -0.0006930400000000, 0.0003552200000000 ] - [ 0.0006166100000000, 0.0013389600000000, 0.0017972700000000 ] - [ 0.0003097200000000, -0.0020479100000000, 0.0001918000000000 ] - [ 0.0082781600000000, 0.1059133700000000, -0.0869530400000000 ] - [ 0.0006089900000000, -0.0011493400000000, 0.0005182700000000 ] - [ -0.0004723700000000, 0.0048639400000000, 0.0000194400000000 ] - [ 0.0000536500000000, -0.0023344200000000, 0.0004552900000000 ] - [ -0.0085635900000000, 0.0159778000000000, -0.0116009400000000 ] - [ 0.0000887800000000, -0.0018837500000000, -0.0000260100000000 ] - [ -0.0021347600000000, 0.0009140400000000, 0.0017900500000000 ] - [ 0.0002601600000000, -0.0008343600000000, -0.0003214500000000 ] - [ 0.0011573500000000, -0.0006176200000000, 0.0031483500000000 ] - [ 0.0003443100000000, -0.0012770400000000, 0.0002466100000000 ] - [ -0.0072470600000000, -0.0041335400000000, 0.0125547200000000 ] - [ 0.0000344800000000, -0.0009841700000000, 0.0001769300000000 ] - [ -0.0003767100000000, -0.0001325300000000, 0.0000031800000000 ] - [ 0.0002285900000000, -0.0017158200000000, 0.0005369700000000 ] - [ 0.0004188100000000, -0.0030337500000000, -0.0002096800000000 ] - [ -0.0008369300000000, -0.0026657200000000, 0.0001809500000000 ] - [ -0.0000406000000000, -0.0015681000000000, -0.0000214400000000 ] - [ 0.0005034200000000, 0.0029892000000000, -0.0002961000000000 ] - [ -0.0934939000000000, 0.1112642300000000, -0.0300030500000000 ] - [ 0.0000288800000000, -0.0008719200000000, 0.0007763600000000 ] - [ -0.0013285400000000, 0.0016403200000000, -0.0035991700000000 ] - [ 0.0001620000000000, -0.0018592800000000, 0.0003156800000000 ] - [ -0.0001128800000000, -0.0010058500000000, 0.0005018100000000 ] - [ -0.0014605700000000, 0.0030247100000000, -0.0023118700000000 ] - [ 0.0001224200000000, -0.0024149100000000, 0.0000786100000000 ] - [ -0.0006693700000000, 0.0004431700000000, -0.0000358800000000 ] - [ 0.0002529500000000, 0.0010324200000000, -0.0006986000000000 ] - [ 0.0005137500000000, 0.0009392100000000, 0.0003192200000000 ] - [ 0.0000910800000000, 0.0011033800000000, -0.0004142200000000 ] - [ -0.0195386300000000, 0.0170289700000000, -0.0311436100000000 ] - [ -0.0006577700000000, -0.0013047900000000, -0.0012086700000000 ] - [ -0.0003193000000000, 0.0017358500000000, -0.0001583300000000 ] - [ 0.0000855800000000, 0.0005997200000000, -0.0000732300000000 ] - [ 0.0002836900000000, -0.0001674700000000, -0.0000919600000000 ] - [ 0.1373333600000000, -0.2405492400000000, 0.1916147800000000 ] - [ -0.0002622200000000, 0.0011561400000000, -0.0000207800000000 ] - [ -0.0002933900000000, 0.0013594200000000, -0.0009806800000000 ] - [ -0.0000600800000000, 0.0013176900000000, -0.0006414000000000 ] - [ 0.0002264000000000, 0.0017552100000000, -0.0000204000000000 ] - [ -0.0006028200000000, -0.0002147700000000, -0.0009110700000000 ] - [ 0.0003730300000000, 0.0009659100000000, 0.0002918900000000 ] - [ -0.0000430000000000, -0.0013506100000000, -0.0003830900000000 ] - [ 0.0004052900000000, 0.0034938100000000, -0.0045074600000000 ] - [ 0.0003546400000000, 0.0014705300000000, -0.0004205000000000 ] - [ 0.0001501200000000, 0.0018978600000000, -0.0004353100000000 ] - [ -0.0034581000000000, 0.0018320700000000, -0.0010202400000000 ] - [ 0.0008979800000000, -0.0048770500000000, -0.0007665500000000 ] - [ -0.0000137800000000, 0.0013834500000000, 0.0003518200000000 ] - [ 0.0015945600000000, -0.0038677600000000, -0.0002375300000000 ] - [ -0.0000609200000000, 0.0004998900000000, 0.0005063500000000 ] - [ -0.0000199000000000, 0.0006535200000000, -0.0003821400000000 ] - [ 0.0008228400000000, -0.0013478300000000, 0.0005480300000000 ] - [ 0.0004689300000000, -0.0029466800000000, 0.0020566900000000 ] - [ -0.0005478400000000, 0.0011998600000000, -0.0005152900000000 ] - [ 0.0018651100000000, -0.0015692600000000, -0.0039802600000000 ] - [ -0.0001250700000000, 0.0011115400000000, 0.0003551700000000 ] - [ -0.0002412700000000, 0.0009836100000000, 0.0008152100000000 ] - [ 0.0011363700000000, 0.0009422700000000, -0.0000642500000000 ] - [ 0.0001126000000000, 0.0012032600000000, 0.0006892800000000 ] - [ 0.0010695900000000, 0.0006190200000000, -0.0001357200000000 ] - [ -0.0024020800000000, -0.0058481800000000, 0.0012867100000000 ] - [ -0.0000479600000000, 0.0006908200000000, -0.0004841000000000 ] - [ -0.0015230400000000, 0.0005663000000000, 0.0008244100000000 ] - [ -0.0000820500000000, 0.0010366600000000, 0.0004975400000000 ] - [ 0.0014444300000000, -0.0002282900000000, -0.0003149700000000 ] - [ 0.0003568300000000, 0.0003279300000000, -0.0000513900000000 ] - [ -0.0004960200000000, -0.0005548100000000, -0.0012935000000000 ] - [ -0.0000574000000000, 0.0010943600000000, -0.0001189700000000 ] - [ 0.0003704000000000, 0.0012348100000000, -0.0004992700000000 ] - [ 0.0000808100000000, 0.0004139700000000, 0.0008108300000000 ] - [ 0.0034960000000000, 0.0012836100000000, -0.0020497900000000 ] - [ -0.0000071400000000, 0.0006551700000000, 0.0004040900000000 ] - [ 0.0003150200000000, -0.0002644000000000, 0.0010947500000000 ] - [ -0.0000356400000000, 0.0009051500000000, -0.0001017400000000 ] - [ 0.0000344500000000, -0.0001366500000000, 0.0002546100000000 ] - [ -0.0001678800000000, 0.0008963200000000, 0.0004378400000000 ] - [ 0.0000395400000000, -0.0022458500000000, -0.0001817500000000 ] - [ -0.0001781500000000, 0.0021654000000000, 0.0003974900000000 ] - [ -0.0005054100000000, 0.0006878500000000, -0.0010433700000000 ] - [ 0.0012508800000000, -0.0001956300000000, 0.0021211800000000 ] - [ 0.0005675000000000, -0.0015734600000000, -0.0006143200000000 ] - [ 0.0004043100000000, 0.0004858300000000, 0.0008549800000000 ] - [ -0.0007343700000000, -0.0039700300000000, -0.0010067900000000 ] - [ -0.0005539200000000, 0.0010553900000000, -0.0003559000000000 ] - [ 0.0000708400000000, 0.0010956300000000, 0.0001051500000000 ] - [ -0.0049607800000000, -0.0001352500000000, 0.0035338300000000 ] - [ -0.0278718800000000, -0.0094425400000000, 0.0076351700000000 ] - [ -0.0001034400000000, 0.0005619300000000, -0.0003267200000000 ] - [ -0.0004697400000000, 0.0013230400000000, 0.0026164000000000 ] - [ -0.0007629000000000, 0.0005512500000000, -0.0004840500000000 ] - [ -0.0000463200000000, 0.0009736100000000, 0.0002396200000000 ] - [ 0.0006165900000000, 0.0009752400000000, 0.0000206400000000 ] - [ -0.0008733200000000, -0.0027611900000000, -0.0009369300000000 ] - [ -0.0000566100000000, 0.0007339900000000, -0.0003572300000000 ] - [ -0.0219500900000000, 0.0164471100000000, -0.0277204700000000 ] - [ -0.0000498500000000, 0.0012080100000000, -0.0005547200000000 ] - [ 0.0167744400000000, -0.0090136600000000, -0.0207171400000000 ] - [ -0.0003682400000000, 0.0007797400000000, -0.0000623400000000 ] - [ -0.0002292700000000, 0.0015632600000000, 0.0004714700000000 ] - [ -0.0008355500000000, -0.0006789600000000, 0.0008343300000000 ] - [ 0.0008247300000000, -0.0043857900000000, 0.0015447600000000 ] - [ 0.0007886500000000, 0.0002749800000000, 0.0002373500000000 ] - [ -0.0005447000000000, 0.0012440500000000, 0.0007606800000000 ] - [ 0.0008887000000000, 0.0008388000000000, 0.0001461200000000 ]- atom: 67 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005267900000000, 0.0010739200000000, 0.0001452600000000 ] - [ 0.0014339500000000, 0.0018064600000000, -0.0050492300000000 ] - [ 0.0014992800000000, 0.0018545600000000, 0.0002652300000000 ] - [ -0.0004338700000000, 0.0024712000000000, 0.0006601000000000 ] - [ -0.0019366700000000, -0.0029645600000000, -0.0011256700000000 ] - [ -0.0000953500000000, 0.0018155900000000, -0.0001450000000000 ] - [ -0.0060351200000000, 0.0012818200000000, -0.0011665700000000 ] - [ -0.0002689600000000, 0.0009761100000000, 0.0000974900000000 ] - [ -0.0000377700000000, 0.0019584400000000, -0.0006848600000000 ] - [ -0.0005451800000000, 0.0030186000000000, -0.0007754800000000 ] - [ 0.0017529100000000, -0.0054273500000000, 0.0015350100000000 ] - [ 0.0000303900000000, 0.0023893300000000, 0.0003027600000000 ] - [ 0.0000235000000000, 0.0013483100000000, -0.0012261800000000 ] - [ 0.0007807300000000, 0.0014989300000000, 0.0014953200000000 ] - [ -0.0001365600000000, 0.0020640600000000, -0.0001251200000000 ] - [ -0.0145726600000000, -0.0026783700000000, 0.0031795800000000 ] - [ 0.0000124500000000, 0.0019869800000000, -0.0000857300000000 ] - [ 0.0007771800000000, -0.0005588600000000, 0.0006897900000000 ] - [ -0.0016539500000000, 0.0005681000000000, 0.0008875800000000 ] - [ 0.0000758400000000, 0.0005844600000000, 0.0003399100000000 ] - [ -0.0038603600000000, -0.0063084600000000, 0.0035783500000000 ] - [ 0.0001299900000000, 0.0016177100000000, 0.0000960900000000 ] - [ 0.0011628600000000, -0.0024640800000000, -0.0018510400000000 ] - [ 0.0000722700000000, 0.0008314200000000, 0.0008098400000000 ] - [ -0.0012266100000000, 0.0003292700000000, -0.0003173100000000 ] - [ 0.0000232900000000, 0.0022730500000000, 0.0001858700000000 ] - [ 0.0003341800000000, 0.0012121100000000, 0.0005595000000000 ] - [ 0.0017926900000000, 0.0008894300000000, -0.0002473300000000 ] - [ 0.0002408500000000, 0.0012159700000000, -0.0000349500000000 ] - [ 0.0001830600000000, -0.0001924000000000, -0.0005873700000000 ] - [ -0.0005488700000000, -0.0026901000000000, -0.0018953900000000 ] - [ -0.0002467400000000, 0.0006982700000000, -0.0002846300000000 ] - [ -0.0076848100000000, -0.1074349200000000, 0.0917501100000000 ] - [ 0.0001897200000000, 0.0009335900000000, -0.0002979400000000 ] - [ 0.0001218400000000, -0.0057466700000000, 0.0002145800000000 ] - [ -0.0004064100000000, 0.0014518100000000, -0.0002243300000000 ] - [ 0.0086847900000000, -0.0168653700000000, 0.0118258900000000 ] - [ 0.0001086600000000, 0.0009987600000000, 0.0002415300000000 ] - [ 0.0029233500000000, -0.0006934600000000, -0.0015623900000000 ] - [ 0.0005372200000000, 0.0010496300000000, 0.0005423300000000 ] - [ -0.0009029100000000, 0.0008325500000000, -0.0029506600000000 ] - [ -0.0000908300000000, 0.0014909800000000, -0.0000540500000000 ] - [ 0.0074165800000000, 0.0050050000000000, -0.0123075900000000 ] - [ 0.0001624400000000, 0.0018695900000000, 0.0000388300000000 ] - [ 0.0003119500000000, -0.0012134200000000, 0.0000892800000000 ] - [ -0.0002915100000000, 0.0003651000000000, -0.0004437600000000 ] - [ -0.0006045400000000, 0.0021431000000000, -0.0000047500000000 ] - [ 0.0006458600000000, 0.0017813500000000, -0.0004057400000000 ] - [ 0.0002944800000000, 0.0013546300000000, 0.0002134900000000 ] - [ -0.0002504200000000, -0.0032104200000000, 0.0004761100000000 ] - [ 0.0881035700000000, -0.1090075500000000, 0.0287338400000000 ] - [ -0.0005972400000000, 0.0013779200000000, -0.0002489900000000 ] - [ 0.0010688000000000, -0.0018431700000000, 0.0033891700000000 ] - [ -0.0004153000000000, 0.0016446300000000, -0.0005088800000000 ] - [ -0.0006860200000000, 0.0012211900000000, -0.0007207600000000 ] - [ 0.0006570800000000, -0.0028154800000000, 0.0020962500000000 ] - [ -0.0007471500000000, 0.0017418900000000, 0.0003659900000000 ] - [ 0.0000479000000000, -0.0011160900000000, 0.0004811600000000 ] - [ -0.0001024100000000, -0.0017285600000000, 0.0007772300000000 ] - [ -0.0003623500000000, -0.0016440700000000, -0.0002392300000000 ] - [ 0.0005301300000000, -0.0004284300000000, -0.0000312600000000 ] - [ 0.0204048100000000, -0.0164747700000000, 0.0311374700000000 ] - [ 0.0003486700000000, 0.0024996100000000, 0.0007435200000000 ] - [ 0.0000112800000000, -0.0005396700000000, -0.0003045600000000 ] - [ 0.0005697100000000, -0.0016242400000000, 0.0000069600000000 ] - [ 0.0003717800000000, -0.0008540000000000, 0.0000265200000000 ] - [ -0.1320930600000000, 0.2407777300000000, -0.1937026900000000 ] - [ 0.0004018100000000, -0.0005124600000000, 0.0008473700000000 ] - [ 0.0007952200000000, -0.0010526700000000, 0.0010402400000000 ] - [ 0.0005639100000000, -0.0010134500000000, 0.0007009800000000 ] - [ 0.0000818900000000, -0.0005581200000000, 0.0004840500000000 ] - [ 0.0009093700000000, 0.0014123700000000, 0.0013748000000000 ] - [ 0.0001302900000000, -0.0012698700000000, -0.0002315800000000 ] - [ 0.0005483600000000, 0.0010505400000000, 0.0004473100000000 ] - [ 0.0007004900000000, -0.0022542000000000, 0.0043117200000000 ] - [ 0.0007509300000000, -0.0002403100000000, 0.0002312100000000 ] - [ 0.0005042800000000, -0.0008727600000000, 0.0003677400000000 ] - [ 0.0041178500000000, -0.0008084200000000, 0.0009538500000000 ] - [ -0.0014452100000000, 0.0051693100000000, 0.0007103700000000 ] - [ -0.0004893100000000, -0.0010774300000000, -0.0004126500000000 ] - [ -0.0017390400000000, 0.0031614400000000, 0.0001381200000000 ] - [ -0.0000897100000000, -0.0011995600000000, -0.0005868000000000 ] - [ 0.0003825700000000, -0.0007872700000000, 0.0001363400000000 ] - [ -0.0004572700000000, 0.0012162000000000, -0.0007971200000000 ] - [ -0.0009697700000000, 0.0026315700000000, -0.0021164400000000 ] - [ 0.0000445300000000, -0.0015030600000000, 0.0004557600000000 ] - [ -0.0021295300000000, 0.0021039200000000, 0.0039684300000000 ] - [ -0.0001507800000000, -0.0005707600000000, -0.0003531400000000 ] - [ 0.0005149300000000, -0.0015200000000000, -0.0008158000000000 ] - [ -0.0008616600000000, -0.0014736200000000, 0.0000658900000000 ] - [ 0.0000391600000000, -0.0005019400000000, -0.0006099000000000 ] - [ -0.0009144600000000, 0.0000869200000000, 0.0002119600000000 ] - [ 0.0020791700000000, 0.0046610900000000, -0.0017604100000000 ] - [ -0.0002608300000000, -0.0018874700000000, 0.0000196100000000 ] - [ 0.0009005100000000, 0.0001037000000000, -0.0003781600000000 ] - [ -0.0005390800000000, -0.0003618700000000, -0.0000511400000000 ] - [ -0.0008184900000000, -0.0004456800000000, -0.0001316000000000 ] - [ 0.0002659000000000, -0.0010010300000000, -0.0003946700000000 ] - [ 0.0004375500000000, 0.0009039700000000, 0.0008836900000000 ] - [ -0.0000008100000000, -0.0007439500000000, -0.0002857000000000 ] - [ -0.0000934500000000, -0.0006923600000000, 0.0004958900000000 ] - [ 0.0001988600000000, 0.0001261800000000, -0.0008200800000000 ] - [ -0.0038467500000000, -0.0014125800000000, 0.0022853600000000 ] - [ -0.0003542000000000, -0.0007893800000000, -0.0001587100000000 ] - [ -0.0002551700000000, -0.0000875700000000, -0.0006862000000000 ] - [ 0.0000943800000000, -0.0012530800000000, 0.0005062100000000 ] - [ 0.0002758500000000, -0.0010604300000000, 0.0002082500000000 ] - [ 0.0004774700000000, -0.0020924200000000, 0.0000274100000000 ] - [ -0.0006889600000000, 0.0032617800000000, 0.0002443600000000 ] - [ -0.0004763200000000, -0.0011415900000000, -0.0003310400000000 ] - [ 0.0003639000000000, -0.0013280800000000, 0.0002160700000000 ] - [ -0.0014019600000000, -0.0004497600000000, -0.0029630800000000 ] - [ -0.0004271200000000, 0.0009251200000000, 0.0014344000000000 ] - [ -0.0002638000000000, -0.0011274900000000, -0.0000289500000000 ] - [ 0.0000765400000000, 0.0029469200000000, 0.0010733900000000 ] - [ -0.0001008300000000, -0.0020778500000000, 0.0004229000000000 ] - [ -0.0000119300000000, -0.0007435800000000, 0.0002997200000000 ] - [ 0.0050688900000000, 0.0004649500000000, -0.0031317100000000 ] - [ 0.0275985400000000, 0.0086506600000000, -0.0076175000000000 ] - [ -0.0001730600000000, -0.0011014200000000, 0.0003294000000000 ] - [ -0.0006392400000000, -0.0025327600000000, -0.0024084000000000 ] - [ -0.0003442200000000, -0.0017809300000000, 0.0006760200000000 ] - [ -0.0000938100000000, -0.0003325000000000, -0.0010689100000000 ] - [ -0.0007562100000000, -0.0003305500000000, -0.0008438000000000 ] - [ 0.0008142600000000, 0.0024116700000000, 0.0005393400000000 ] - [ -0.0000022100000000, -0.0010838200000000, -0.0000472500000000 ] - [ 0.0214980800000000, -0.0156521700000000, 0.0272916000000000 ] - [ -0.0001031800000000, -0.0005078700000000, 0.0004757100000000 ] - [ -0.0171076500000000, 0.0093940000000000, 0.0209483600000000 ] - [ 0.0000065100000000, -0.0006443100000000, 0.0003082100000000 ] - [ -0.0008762100000000, -0.0003319700000000, -0.0002814900000000 ] - [ -0.0002712300000000, 0.0019170600000000, -0.0006449800000000 ] - [ 0.0002915300000000, 0.0031560000000000, -0.0017205000000000 ] - [ 0.0003174900000000, -0.0015040400000000, -0.0004268200000000 ] - [ 0.0009015900000000, -0.0011157200000000, -0.0010064200000000 ] - [ -0.0005283100000000, -0.0007039000000000, -0.0003896400000000 ]- atom: 67 displacement: [ -0.0045139598196510, 0.0000000000000000, 0.0089232374588249 ] forces: - [ 0.0003190300000000, -0.0000815000000000, 0.0000334100000000 ] - [ -0.0011434000000000, 0.0030553100000000, -0.0057229400000000 ] - [ 0.0006543100000000, 0.0015621300000000, 0.0004615200000000 ] - [ 0.0002394500000000, -0.0000313200000000, 0.0006306200000000 ] - [ 0.0002885500000000, -0.0005438600000000, -0.0014407500000000 ] - [ -0.0001789400000000, 0.0007915100000000, -0.0000997000000000 ] - [ -0.0026468000000000, -0.0012343500000000, 0.0023661000000000 ] - [ -0.0003251000000000, 0.0000936000000000, 0.0000596300000000 ] - [ 0.0000614700000000, 0.0010451600000000, -0.0004414000000000 ] - [ -0.0000949700000000, 0.0015352600000000, -0.0003679800000000 ] - [ 0.0025825500000000, 0.0007038000000000, 0.0060359600000000 ] - [ -0.0001181800000000, 0.0009921700000000, 0.0001774200000000 ] - [ 0.0001040600000000, 0.0004004100000000, -0.0003328000000000 ] - [ 0.0006089900000000, -0.0027891500000000, 0.0010812200000000 ] - [ -0.0001538600000000, 0.0011406800000000, 0.0000097600000000 ] - [ -0.0084185000000000, -0.0008476800000000, 0.0069061100000000 ] - [ 0.0000665600000000, 0.0009832000000000, -0.0003143700000000 ] - [ 0.0006352200000000, -0.0021289400000000, -0.0034553200000000 ] - [ -0.0004520000000000, -0.0005643900000000, -0.0001608200000000 ] - [ -0.0001259600000000, 0.0004948600000000, 0.0003476700000000 ] - [ 0.0051325300000000, -0.0057643600000000, -0.0017142000000000 ] - [ -0.0000444700000000, 0.0005876600000000, -0.0000655300000000 ] - [ 0.0015972200000000, -0.0027336500000000, -0.0049911600000000 ] - [ -0.0001104100000000, 0.0000868700000000, 0.0003450300000000 ] - [ 0.0009219800000000, 0.0011968100000000, 0.0002129600000000 ] - [ 0.0002465400000000, 0.0011089800000000, -0.0000233200000000 ] - [ 0.0004441200000000, 0.0004116000000000, -0.0003028600000000 ] - [ 0.0019460300000000, 0.0014378500000000, -0.0011644700000000 ] - [ 0.0001483100000000, -0.0000379000000000, -0.0000978600000000 ] - [ 0.0001678300000000, -0.0000328800000000, -0.0000613500000000 ] - [ -0.0016860200000000, -0.0009099900000000, -0.0002463200000000 ] - [ -0.0001411200000000, -0.0002771800000000, -0.0001104900000000 ] - [ -0.0460927500000000, -0.0882170200000000, 0.1862168000000000 ] - [ 0.0003001900000000, 0.0002038900000000, 0.0000433000000000 ] - [ -0.0005692500000000, -0.0018066900000000, -0.0020210000000000 ] - [ -0.0002654900000000, 0.0001985000000000, -0.0000457200000000 ] - [ 0.0166310700000000, -0.0052032000000000, 0.0032329600000000 ] - [ 0.0001250400000000, -0.0000328300000000, 0.0001300000000000 ] - [ 0.0025567700000000, 0.0000682800000000, -0.0022607700000000 ] - [ 0.0006267200000000, 0.0003193500000000, 0.0000054400000000 ] - [ -0.0006336800000000, 0.0005769000000000, -0.0019832900000000 ] - [ 0.0000601200000000, 0.0004722800000000, -0.0001734200000000 ] - [ 0.0044656300000000, 0.0041354600000000, -0.0087525500000000 ] - [ 0.0000579800000000, 0.0006691200000000, 0.0000819800000000 ] - [ 0.0006571200000000, -0.0010481600000000, -0.0006991100000000 ] - [ 0.0001121700000000, -0.0002305600000000, -0.0004510600000000 ] - [ -0.0001488300000000, -0.0004686100000000, 0.0006683500000000 ] - [ -0.0007333100000000, 0.0006906300000000, 0.0017800400000000 ] - [ 0.0001652300000000, 0.0002858200000000, 0.0001387700000000 ] - [ 0.0006053300000000, 0.0004378100000000, 0.0038186300000000 ] - [ -0.0559336400000000, 0.0158650400000000, 0.0441309500000000 ] - [ -0.0004134300000000, 0.0005717300000000, 0.0002153000000000 ] - [ 0.0003906000000000, -0.0024850900000000, 0.0007257700000000 ] - [ -0.0002480400000000, 0.0007418700000000, -0.0000809200000000 ] - [ -0.0005295700000000, 0.0005301500000000, -0.0003146600000000 ] - [ -0.0017431600000000, -0.0007666200000000, -0.0020328200000000 ] - [ 0.0010547500000000, -0.0001300100000000, 0.0006671300000000 ] - [ -0.0001280700000000, -0.0005990600000000, 0.0002983400000000 ] - [ 0.0001922800000000, -0.0006696400000000, -0.0002578800000000 ] - [ 0.0001425800000000, 0.0001471900000000, -0.0015302300000000 ] - [ 0.0004398800000000, 0.0001144700000000, -0.0002019100000000 ] - [ 0.0162849800000000, -0.0131139400000000, 0.0035899200000000 ] - [ -0.0001994700000000, 0.0015720200000000, 0.0010857300000000 ] - [ -0.0001161100000000, 0.0001839300000000, -0.0001821500000000 ] - [ 0.0003112100000000, -0.0006332900000000, 0.0000550400000000 ] - [ 0.0002954000000000, -0.0008635900000000, -0.0000478900000000 ] - [ 0.1177866600000000, 0.1155960900000000, -0.2739604500000000 ] - [ 0.0001710600000000, 0.0000760600000000, 0.0005029200000000 ] - [ 0.0006340100000000, -0.0005763900000000, 0.0006628400000000 ] - [ 0.0004115100000000, -0.0001610700000000, 0.0004023700000000 ] - [ 0.0001813200000000, 0.0003150600000000, 0.0003028800000000 ] - [ 0.0009022500000000, 0.0006835400000000, 0.0009207000000000 ] - [ 0.0002115300000000, -0.0004164900000000, -0.0000414100000000 ] - [ 0.0000188200000000, -0.0007719600000000, -0.0006583200000000 ] - [ 0.0009277600000000, -0.0015100200000000, 0.0033386900000000 ] - [ 0.0006646300000000, 0.0005035800000000, 0.0001209400000000 ] - [ 0.0004232600000000, -0.0000502700000000, 0.0001398600000000 ] - [ 0.0021690400000000, 0.0000574100000000, -0.0001567200000000 ] - [ -0.0096288400000000, 0.0004351300000000, 0.0005773100000000 ] - [ -0.0003362000000000, -0.0002161700000000, -0.0001385400000000 ] - [ -0.0037688500000000, 0.0030561400000000, 0.0041221200000000 ] - [ -0.0001012600000000, -0.0005919100000000, -0.0001480800000000 ] - [ 0.0002353500000000, -0.0003192200000000, -0.0000053300000000 ] - [ 0.0001314500000000, 0.0006194200000000, 0.0010054100000000 ] - [ 0.0001802000000000, 0.0019188000000000, 0.0012301600000000 ] - [ -0.0001406400000000, -0.0007068600000000, 0.0001345300000000 ] - [ -0.0022053800000000, 0.0011133200000000, 0.0040854400000000 ] - [ -0.0001824200000000, 0.0000777300000000, -0.0000293300000000 ] - [ 0.0000561700000000, -0.0003630600000000, -0.0001116600000000 ] - [ -0.0005209500000000, -0.0024211300000000, -0.0002754400000000 ] - [ -0.0000041300000000, 0.0001745800000000, 0.0000685400000000 ] - [ -0.0012770700000000, 0.0003066300000000, 0.0023349100000000 ] - [ 0.0006823200000000, 0.0022227400000000, -0.0031005700000000 ] - [ -0.0001709600000000, -0.0009881500000000, -0.0001712200000000 ] - [ -0.0009024800000000, 0.0006048000000000, 0.0001014200000000 ] - [ -0.0005631200000000, 0.0000033300000000, 0.0000932400000000 ] - [ -0.0008584700000000, -0.0005959800000000, 0.0002579800000000 ] - [ 0.0000542100000000, -0.0004744100000000, -0.0000769600000000 ] - [ 0.0000648100000000, 0.0004815200000000, 0.0005060300000000 ] - [ -0.0000563400000000, -0.0000371600000000, -0.0001462000000000 ] - [ 0.0001015500000000, -0.0002117500000000, 0.0001452400000000 ] - [ 0.0000391500000000, 0.0011310200000000, 0.0002152000000000 ] - [ -0.0024374600000000, -0.0012206500000000, 0.0019349000000000 ] - [ -0.0002940400000000, -0.0000836100000000, 0.0001638000000000 ] - [ -0.0001836200000000, 0.0005576600000000, 0.0006897700000000 ] - [ 0.0000651200000000, -0.0009086900000000, 0.0004139300000000 ] - [ 0.0000069300000000, -0.0009174600000000, 0.0001830500000000 ] - [ 0.0001129500000000, -0.0009862900000000, 0.0000233800000000 ] - [ -0.0010241500000000, -0.0002426700000000, -0.0010960000000000 ] - [ -0.0004480600000000, 0.0000804300000000, -0.0001152100000000 ] - [ 0.0001182500000000, -0.0006858400000000, -0.0002430500000000 ] - [ 0.0004772100000000, 0.0013563200000000, 0.0001066500000000 ] - [ -0.0002986100000000, 0.0008278300000000, 0.0023046300000000 ] - [ -0.0000827600000000, -0.0005630800000000, 0.0004102000000000 ] - [ 0.0004683900000000, 0.0002482700000000, 0.0012436600000000 ] - [ -0.0002318300000000, -0.0010157000000000, 0.0001677900000000 ] - [ 0.0000186500000000, -0.0001518200000000, 0.0002276300000000 ] - [ -0.0014534700000000, 0.0029171700000000, -0.0037530400000000 ] - [ -0.0256973100000000, 0.0123203300000000, -0.0111395200000000 ] - [ -0.0001160300000000, -0.0005375500000000, 0.0000662300000000 ] - [ -0.0005414000000000, 0.0001014800000000, -0.0010537900000000 ] - [ -0.0002862200000000, -0.0011245300000000, -0.0001007400000000 ] - [ -0.0001310000000000, 0.0002390400000000, -0.0003771600000000 ] - [ -0.0007237600000000, -0.0002602700000000, -0.0006745200000000 ] - [ -0.0000394100000000, 0.0004560400000000, -0.0016915000000000 ] - [ -0.0000005600000000, -0.0004359500000000, -0.0001676800000000 ] - [ 0.0217188000000000, -0.0203104500000000, 0.0110062700000000 ] - [ -0.0000310100000000, 0.0001565800000000, 0.0000317500000000 ] - [ -0.0274966600000000, -0.0201851300000000, 0.0371450700000000 ] - [ -0.0001202100000000, -0.0001181800000000, 0.0001488700000000 ] - [ -0.0006943800000000, 0.0003138600000000, 0.0000288000000000 ] - [ -0.0020381300000000, 0.0029219300000000, 0.0029850100000000 ] - [ -0.0031386400000000, -0.0019848900000000, -0.0031244400000000 ] - [ 0.0004756400000000, -0.0008576500000000, -0.0001861600000000 ] - [ 0.0004329000000000, 0.0003000000000000, -0.0006003400000000 ] - [ 0.0000385800000000, -0.0003383200000000, -0.0006095500000000 ]- atom: 67 displacement: [ 0.0045139598196510, 0.0000000000000000, -0.0089232374588249 ] forces: - [ 0.0001565100000000, -0.0005627600000000, 0.0000718800000000 ] - [ 0.0015961000000000, -0.0036755200000000, 0.0057722900000000 ] - [ -0.0001714300000000, -0.0009023800000000, -0.0003551100000000 ] - [ 0.0002296900000000, 0.0006970100000000, -0.0005223100000000 ] - [ -0.0007726600000000, 0.0011754100000000, 0.0013271900000000 ] - [ -0.0002930600000000, -0.0001270400000000, -0.0000049600000000 ] - [ 0.0021111700000000, 0.0006011700000000, -0.0024915400000000 ] - [ -0.0001483600000000, -0.0007376000000000, -0.0001625700000000 ] - [ 0.0002889200000000, -0.0001499700000000, 0.0002026900000000 ] - [ 0.0004431000000000, -0.0006337400000000, 0.0001313900000000 ] - [ -0.0029218300000000, 0.0001494600000000, -0.0058018300000000 ] - [ -0.0002333100000000, -0.0000932400000000, 0.0000566900000000 ] - [ 0.0004617300000000, -0.0008946200000000, -0.0001992200000000 ] - [ -0.0000252700000000, 0.0022781300000000, -0.0015939100000000 ] - [ 0.0000932700000000, 0.0002200000000000, 0.0000817400000000 ] - [ 0.0082746000000000, 0.0021802300000000, -0.0067800400000000 ] - [ -0.0002627900000000, -0.0000850200000000, 0.0001007900000000 ] - [ -0.0008127500000000, 0.0030162900000000, 0.0032366000000000 ] - [ -0.0003647300000000, 0.0003556900000000, -0.0000475800000000 ] - [ -0.0006713700000000, -0.0007041500000000, -0.0005610400000000 ] - [ -0.0054112800000000, 0.0059486000000000, 0.0015019800000000 ] - [ -0.0002081700000000, -0.0003607900000000, -0.0001253400000000 ] - [ -0.0021472600000000, 0.0022087700000000, 0.0055002200000000 ] - [ -0.0004546900000000, -0.0005853900000000, 0.0001842200000000 ] - [ -0.0008774100000000, 0.0001482500000000, -0.0003111800000000 ] - [ -0.0001853100000000, 0.0002522800000000, -0.0000678400000000 ] - [ 0.0001245000000000, 0.0001034700000000, -0.0002144400000000 ] - [ -0.0013600400000000, -0.0009157000000000, 0.0006415200000000 ] - [ 0.0002040500000000, -0.0008363600000000, -0.0001354000000000 ] - [ 0.0001833600000000, -0.0008506900000000, -0.0001769200000000 ] - [ 0.0017347500000000, -0.0004540100000000, 0.0001354900000000 ] - [ 0.0001986100000000, -0.0010638800000000, 0.0000158200000000 ] - [ 0.0471308400000000, 0.0810827800000000, -0.1774259300000000 ] - [ 0.0004999200000000, -0.0004124300000000, 0.0001734100000000 ] - [ 0.0002149400000000, 0.0008853200000000, 0.0022464100000000 ] - [ -0.0000888500000000, -0.0010688900000000, 0.0002767500000000 ] - [ -0.0163320100000000, 0.0041085200000000, -0.0027941700000000 ] - [ 0.0000719500000000, -0.0008433300000000, 0.0000852800000000 ] - [ -0.0017380900000000, 0.0001392100000000, 0.0024685400000000 ] - [ 0.0001762700000000, -0.0000968000000000, 0.0002153600000000 ] - [ 0.0008784400000000, -0.0003548600000000, 0.0021483100000000 ] - [ 0.0001931600000000, -0.0002481600000000, 0.0003634600000000 ] - [ -0.0041949100000000, -0.0032056500000000, 0.0088561700000000 ] - [ 0.0001396500000000, 0.0002269900000000, 0.0001313100000000 ] - [ -0.0007155200000000, -0.0003088500000000, 0.0007909000000000 ] - [ -0.0001740100000000, -0.0011125300000000, 0.0005383300000000 ] - [ -0.0000446800000000, -0.0003968000000000, -0.0008780900000000 ] - [ 0.0005360300000000, -0.0015593700000000, -0.0019833100000000 ] - [ 0.0000903500000000, -0.0004911900000000, 0.0000545000000000 ] - [ -0.0003638700000000, -0.0006778500000000, -0.0036185100000000 ] - [ 0.0567277100000000, -0.0160717800000000, -0.0437822500000000 ] - [ -0.0001566600000000, -0.0000568900000000, 0.0003065700000000 ] - [ -0.0006322300000000, 0.0022468700000000, -0.0008878900000000 ] - [ -0.0000090900000000, -0.0009442100000000, -0.0001137000000000 ] - [ -0.0002737000000000, -0.0003060900000000, 0.0000908000000000 ] - [ 0.0009576100000000, 0.0009774400000000, 0.0018114200000000 ] - [ -0.0016681900000000, -0.0005335400000000, -0.0002147600000000 ] - [ -0.0004842000000000, -0.0000834000000000, 0.0001523000000000 ] - [ -0.0000447400000000, -0.0000366900000000, 0.0003349600000000 ] - [ 0.0000038900000000, -0.0008484400000000, 0.0015946000000000 ] - [ 0.0001743700000000, 0.0005563400000000, -0.0002442000000000 ] - [ -0.0154617100000000, 0.0136135400000000, -0.0039645200000000 ] - [ -0.0001045900000000, -0.0003602300000000, -0.0015391100000000 ] - [ -0.0001909100000000, 0.0010001400000000, -0.0002815000000000 ] - [ 0.0003489800000000, -0.0003937700000000, -0.0001131500000000 ] - [ 0.0003622300000000, -0.0001598400000000, -0.0000113000000000 ] - [ -0.1186365700000000, -0.1067240300000000, 0.2655275700000000 ] - [ -0.0000404500000000, 0.0005602300000000, 0.0003308200000000 ] - [ -0.0001213100000000, 0.0008709600000000, -0.0005932700000000 ] - [ 0.0000986800000000, 0.0004571300000000, -0.0003370800000000 ] - [ 0.0001270300000000, 0.0008723600000000, 0.0001635600000000 ] - [ -0.0005819900000000, 0.0005195600000000, -0.0004429600000000 ] - [ 0.0002965600000000, 0.0001055100000000, 0.0001007400000000 ] - [ 0.0004928000000000, 0.0004761900000000, 0.0007229000000000 ] - [ 0.0001886100000000, 0.0027204400000000, -0.0034870000000000 ] - [ 0.0004501400000000, 0.0007234600000000, -0.0003058200000000 ] - [ 0.0002348600000000, 0.0010623100000000, -0.0001972700000000 ] - [ -0.0014870300000000, 0.0009560900000000, 0.0001041700000000 ] - [ 0.0092569900000000, -0.0000852800000000, -0.0006558800000000 ] - [ -0.0001741900000000, 0.0005109300000000, 0.0000746500000000 ] - [ 0.0035980300000000, -0.0037121700000000, -0.0042025100000000 ] - [ -0.0000490300000000, -0.0001114200000000, 0.0000720400000000 ] - [ 0.0001326900000000, 0.0001757700000000, -0.0002323100000000 ] - [ 0.0002223400000000, -0.0007504300000000, -0.0012466300000000 ] - [ -0.0006919900000000, -0.0021907800000000, -0.0012898600000000 ] - [ -0.0003663000000000, 0.0003923800000000, -0.0001923500000000 ] - [ 0.0019120900000000, -0.0005551700000000, -0.0040415300000000 ] - [ -0.0000892100000000, 0.0004601700000000, 0.0000326200000000 ] - [ 0.0002167700000000, -0.0001908500000000, 0.0000974300000000 ] - [ 0.0007856200000000, 0.0018544000000000, 0.0002630600000000 ] - [ 0.0001543300000000, 0.0005161000000000, -0.0000025500000000 ] - [ 0.0014132800000000, 0.0003804600000000, -0.0022548900000000 ] - [ -0.0009746500000000, -0.0033927800000000, 0.0026289900000000 ] - [ -0.0001391800000000, -0.0002163800000000, -0.0002919600000000 ] - [ 0.0003012700000000, 0.0000721300000000, 0.0003436500000000 ] - [ -0.0000524900000000, 0.0006671100000000, 0.0003514100000000 ] - [ 0.0014652500000000, -0.0000798200000000, -0.0007057100000000 ] - [ 0.0005594900000000, -0.0002075700000000, -0.0003717800000000 ] - [ -0.0001135200000000, -0.0001189000000000, -0.0009030700000000 ] - [ 0.0000027000000000, 0.0003850200000000, -0.0002588700000000 ] - [ 0.0001677900000000, 0.0007507400000000, -0.0001487100000000 ] - [ 0.0002255500000000, -0.0005870200000000, -0.0002217500000000 ] - [ 0.0020363900000000, 0.0010736600000000, -0.0016808800000000 ] - [ -0.0000750900000000, -0.0000597500000000, 0.0000747100000000 ] - [ 0.0002340800000000, -0.0009067200000000, -0.0002909900000000 ] - [ -0.0000103000000000, 0.0005434800000000, -0.0000042500000000 ] - [ 0.0003037800000000, -0.0002777100000000, 0.0002818200000000 ] - [ 0.0001984900000000, -0.0002193400000000, 0.0004404400000000 ] - [ 0.0003700400000000, 0.0012906800000000, 0.0011619800000000 ] - [ -0.0002106800000000, 0.0009293000000000, 0.0001730000000000 ] - [ -0.0002439100000000, 0.0000363300000000, -0.0005828500000000 ] - [ -0.0006177000000000, -0.0019906400000000, -0.0009354600000000 ] - [ 0.0004219500000000, -0.0014597300000000, -0.0014668400000000 ] - [ 0.0002092500000000, -0.0000853800000000, 0.0004176000000000 ] - [ -0.0011163700000000, -0.0012473900000000, -0.0011727800000000 ] - [ -0.0004232300000000, -0.0000179800000000, -0.0001036600000000 ] - [ 0.0000346300000000, 0.0005004300000000, 0.0001792900000000 ] - [ 0.0015306600000000, -0.0025611000000000, 0.0041543400000000 ] - [ 0.0252559400000000, -0.0127403200000000, 0.0109203200000000 ] - [ -0.0001554700000000, -0.0000137100000000, -0.0000574400000000 ] - [ -0.0005791400000000, -0.0013429400000000, 0.0012190700000000 ] - [ -0.0008241400000000, -0.0001180200000000, 0.0002907200000000 ] - [ 0.0000033600000000, 0.0003980500000000, -0.0004608800000000 ] - [ 0.0005871500000000, 0.0008949300000000, -0.0001627100000000 ] - [ -0.0000027500000000, -0.0007901400000000, 0.0012901200000000 ] - [ -0.0000529700000000, 0.0000737600000000, -0.0002375900000000 ] - [ -0.0219673000000000, 0.0210621000000000, -0.0109786400000000 ] - [ -0.0001189200000000, 0.0005337700000000, -0.0001001900000000 ] - [ 0.0264073500000000, 0.0197933100000000, -0.0360416000000000 ] - [ -0.0002458900000000, 0.0002514800000000, 0.0000922800000000 ] - [ -0.0004214600000000, 0.0009119400000000, 0.0001566800000000 ] - [ 0.0009422900000000, -0.0016923800000000, -0.0028141700000000 ] - [ 0.0042382600000000, 0.0007874900000000, 0.0029015800000000 ] - [ 0.0006359700000000, -0.0003817200000000, -0.0000046900000000 ] - [ -0.0000597800000000, -0.0001796600000000, 0.0003511000000000 ] - [ 0.0003235400000000, 0.0004696100000000, 0.0003644700000000 ]- atom: 69 displacement: [ 0.0099999786541794, 0.0000000000000000, -0.0000206619446251 ] forces: - [ -0.0027556500000000, 0.0000437800000000, -0.0002263800000000 ] - [ 0.0002038500000000, -0.0000130800000000, -0.0000157500000000 ] - [ -0.0019179900000000, -0.0006074700000000, -0.0022716200000000 ] - [ 0.0001175300000000, 0.0007993700000000, 0.0000053100000000 ] - [ -0.0002437700000000, 0.0013806600000000, 0.0003234300000000 ] - [ 0.0014456300000000, 0.0011158800000000, 0.0012693000000000 ] - [ 0.0016902400000000, -0.0005679100000000, -0.0004373500000000 ] - [ -0.0001777100000000, 0.0000761500000000, -0.0000032900000000 ] - [ 0.0518883900000000, -0.0117883300000000, 0.0313307800000000 ] - [ 0.0001260600000000, 0.0010380800000000, -0.0001193500000000 ] - [ -0.0002695500000000, -0.0000991100000000, 0.0001883500000000 ] - [ -0.0001455800000000, 0.0015501200000000, -0.0008072300000000 ] - [ 0.0005570800000000, -0.0012676000000000, -0.0014874300000000 ] - [ 0.0001357300000000, 0.0001027700000000, -0.0004525300000000 ] - [ -0.0047122300000000, 0.0031035200000000, -0.0026580400000000 ] - [ -0.0000919900000000, 0.0009912300000000, -0.0000096400000000 ] - [ -0.0017125400000000, -0.0010150400000000, -0.0014918000000000 ] - [ -0.0002605500000000, 0.0008876100000000, -0.0001186000000000 ] - [ 0.0010255900000000, 0.0028128100000000, 0.0045668800000000 ] - [ -0.0002753300000000, 0.0001885400000000, 0.0000377600000000 ] - [ -0.0002106000000000, 0.0002704300000000, -0.0001630400000000 ] - [ -0.0005233100000000, 0.0004563200000000, -0.0016848300000000 ] - [ -0.0014683800000000, 0.0000066800000000, 0.0008944700000000 ] - [ -0.0003078500000000, -0.0002226400000000, 0.0004084000000000 ] - [ 0.0042718300000000, -0.0050665100000000, 0.0041537800000000 ] - [ 0.0002393900000000, 0.0012518100000000, 0.0001400800000000 ] - [ -0.0041567000000000, -0.0031700200000000, -0.0017004700000000 ] - [ 0.0003606300000000, 0.0005703400000000, -0.0000908600000000 ] - [ 0.0002467500000000, -0.0012465900000000, 0.0018226300000000 ] - [ 0.0002527000000000, 0.0000892000000000, -0.0000287400000000 ] - [ 0.0004467500000000, -0.0004726200000000, 0.0000753900000000 ] - [ 0.0005663100000000, 0.0009250100000000, 0.0002683200000000 ] - [ 0.0002594300000000, 0.0001554200000000, -0.0003148600000000 ] - [ -0.0007540700000000, 0.0004719400000000, -0.0002579800000000 ] - [ 0.0000463000000000, -0.0010964600000000, 0.0003982900000000 ] - [ -0.0003202100000000, 0.0002954100000000, 0.0001006600000000 ] - [ -0.0000439800000000, 0.0001730100000000, 0.0001706100000000 ] - [ -0.0000333200000000, -0.0003353100000000, 0.0002505600000000 ] - [ -0.0016193600000000, -0.0004756200000000, -0.0000140200000000 ] - [ 0.0003937300000000, 0.0003130300000000, 0.0001208800000000 ] - [ 0.0551565900000000, -0.0421099200000000, 0.0055166700000000 ] - [ 0.0001018500000000, 0.0005682100000000, 0.0001832000000000 ] - [ -0.0065287600000000, 0.0038316100000000, -0.0020359200000000 ] - [ 0.0001226800000000, 0.0006586100000000, -0.0000137000000000 ] - [ -0.0013852300000000, -0.0024105700000000, 0.0017927700000000 ] - [ -0.0000159000000000, -0.0002230400000000, 0.0001236700000000 ] - [ -0.0018869600000000, -0.0000547100000000, -0.0003298100000000 ] - [ -0.0001199400000000, -0.0000238000000000, -0.0001785400000000 ] - [ 0.0007307000000000, 0.0000993000000000, 0.0005297800000000 ] - [ 0.0002518600000000, 0.0003217200000000, 0.0002448600000000 ] - [ -0.0004142300000000, 0.0010856600000000, -0.0012278800000000 ] - [ -0.0004705100000000, 0.0004835600000000, 0.0000690000000000 ] - [ -0.0011656300000000, -0.0025023500000000, -0.0022490500000000 ] - [ -0.0002505900000000, 0.0003974100000000, -0.0001597700000000 ] - [ 0.0032726100000000, -0.0013884000000000, -0.0003342600000000 ] - [ -0.0004464400000000, 0.0005380400000000, -0.0002790400000000 ] - [ -0.0004616500000000, -0.0006802900000000, 0.0003154700000000 ] - [ -0.0017839700000000, -0.0006135800000000, -0.0005670000000000 ] - [ 0.0005892800000000, -0.0001881900000000, 0.0004537900000000 ] - [ 0.0000977400000000, -0.0006109300000000, 0.0002260200000000 ] - [ 0.0017928700000000, -0.0002653000000000, 0.0001785000000000 ] - [ 0.0004634500000000, 0.0001264700000000, -0.0000793700000000 ] - [ -0.0004856100000000, 0.0014058200000000, -0.0005655200000000 ] - [ -0.0001265400000000, 0.0001332300000000, -0.0003494100000000 ] - [ 0.0005934400000000, 0.0005645800000000, -0.0007237800000000 ] - [ 0.0002622200000000, -0.0009655800000000, -0.0001471400000000 ] - [ 0.0004769100000000, -0.0002227100000000, 0.0010437300000000 ] - [ 0.0004312300000000, 0.0000090000000000, 0.0007735700000000 ] - [ -0.0804097400000000, 0.0871555400000000, -0.0697408000000000 ] - [ 0.0003074700000000, -0.0002175900000000, 0.0000926200000000 ] - [ 0.0012426200000000, -0.0004420700000000, -0.0014533700000000 ] - [ 0.0000588700000000, 0.0002984100000000, 0.0002575400000000 ] - [ -0.0004708400000000, -0.0002281200000000, -0.0006526500000000 ] - [ 0.0001661700000000, -0.0005127500000000, -0.0001094400000000 ] - [ -0.0001561500000000, -0.0177860200000000, 0.0156684500000000 ] - [ 0.0005706200000000, 0.0004248900000000, -0.0000487400000000 ] - [ -0.0053016700000000, -0.0114953900000000, 0.0101803200000000 ] - [ 0.0003422400000000, 0.0000423800000000, 0.0000161300000000 ] - [ -0.0001267600000000, 0.0001824400000000, 0.0000424600000000 ] - [ -0.0001262800000000, -0.0000007300000000, 0.0004900600000000 ] - [ 0.0001321000000000, -0.0007140700000000, -0.0005643800000000 ] - [ -0.0001493400000000, -0.0004039400000000, -0.0002253600000000 ] - [ 0.0004204200000000, 0.0028610400000000, 0.0014917200000000 ] - [ 0.0002917900000000, -0.0003888300000000, -0.0000152100000000 ] - [ -0.0004224300000000, 0.0008213400000000, -0.0001068500000000 ] - [ -0.0000971900000000, -0.0005903600000000, 0.0000928000000000 ] - [ 0.0012845400000000, -0.0007540500000000, -0.0008409500000000 ] - [ -0.0001932500000000, 0.0002889100000000, -0.0001591700000000 ] - [ 0.0027247800000000, 0.0005211700000000, -0.0003576600000000 ] - [ 0.0001597000000000, -0.0005088700000000, -0.0000965300000000 ] - [ 0.0013768500000000, 0.0015951400000000, 0.0010958100000000 ] - [ 0.0001192300000000, 0.0000955000000000, -0.0001273800000000 ] - [ -0.0002842400000000, -0.0006624600000000, -0.0004928800000000 ] - [ 0.0002925500000000, -0.0027374800000000, 0.0007374300000000 ] - [ -0.0025664800000000, 0.0004837400000000, -0.0009288800000000 ] - [ -0.0004874500000000, 0.0000960200000000, 0.0001457300000000 ] - [ 0.0018934300000000, 0.0004497800000000, -0.0003508100000000 ] - [ 0.0002961200000000, -0.0005307700000000, -0.0002476900000000 ] - [ -0.0131239000000000, -0.0054268500000000, -0.0031082000000000 ] - [ -0.0000881100000000, -0.0001714900000000, -0.0003446800000000 ] - [ 0.0004845800000000, 0.0008913500000000, 0.0008189500000000 ] - [ 0.0001783000000000, 0.0000174400000000, 0.0001220800000000 ] - [ 0.0020096200000000, 0.0001476600000000, 0.0006169000000000 ] - [ -0.0001902900000000, -0.0002221600000000, 0.0001151800000000 ] - [ 0.0027287600000000, 0.0019557700000000, 0.0001993300000000 ] - [ 0.0000398000000000, -0.0004702800000000, 0.0001564200000000 ] - [ -0.0151126900000000, 0.0048679500000000, 0.0135697100000000 ] - [ 0.0001743300000000, -0.0010397400000000, 0.0001185600000000 ] - [ -0.0005188200000000, 0.0018376100000000, -0.0003409900000000 ] - [ -0.0004711600000000, -0.0003560100000000, 0.0000191000000000 ] - [ -0.0008889800000000, 0.0003946700000000, -0.0003443200000000 ] - [ 0.0000458400000000, -0.0006147000000000, -0.0002335500000000 ] - [ 0.0009260600000000, -0.0000280500000000, 0.0005896300000000 ] - [ 0.0000727400000000, -0.0004396100000000, 0.0003709300000000 ] - [ -0.0005002800000000, -0.0002020500000000, -0.0000705900000000 ] - [ -0.0001865000000000, -0.0012171200000000, 0.0001261600000000 ] - [ 0.0009232000000000, -0.0003695900000000, 0.0021504500000000 ] - [ 0.0000466200000000, -0.0000232800000000, 0.0002189600000000 ] - [ -0.0004041800000000, -0.0006004100000000, 0.0005180400000000 ] - [ -0.0000743300000000, -0.0004173500000000, 0.0000108900000000 ] - [ 0.0004477200000000, -0.0007618500000000, 0.0011631500000000 ] - [ -0.0004415500000000, -0.0008960700000000, 0.0002330700000000 ] - [ 0.0101175200000000, -0.0008720800000000, -0.0059524700000000 ] - [ -0.0001724500000000, 0.0000823800000000, -0.0005594900000000 ] - [ -0.0001641800000000, -0.0003824900000000, -0.0002506100000000 ] - [ -0.0002647800000000, -0.0004901000000000, -0.0006150500000000 ] - [ 0.0002888200000000, -0.0018686400000000, 0.0031406100000000 ] - [ -0.0000852300000000, 0.0001665400000000, 0.0001309100000000 ] - [ 0.0000003700000000, -0.0001487600000000, 0.0002825500000000 ] - [ 0.0004408900000000, 0.0000222500000000, 0.0000296400000000 ] - [ 0.0003318200000000, 0.0013071000000000, 0.0012803500000000 ] - [ -0.0004988600000000, 0.0004230300000000, 0.0001138300000000 ] - [ 0.0004456900000000, -0.0009559800000000, -0.0002845900000000 ] - [ 0.0002010500000000, -0.0005717900000000, -0.0004874200000000 ] - [ 0.0012152400000000, -0.0003801800000000, -0.0015129800000000 ] - [ 0.0001049400000000, -0.0001185400000000, -0.0001656700000000 ]- atom: 69 displacement: [ -0.0099999786541794, 0.0000000000000000, 0.0000206619446251 ] forces: - [ 0.0032421400000000, -0.0007175600000000, 0.0003334500000000 ] - [ 0.0002686100000000, -0.0006402600000000, 0.0001190500000000 ] - [ 0.0023683400000000, 0.0012618000000000, 0.0023572900000000 ] - [ 0.0003541300000000, -0.0001467700000000, 0.0000968200000000 ] - [ -0.0002259500000000, -0.0007440000000000, -0.0004227300000000 ] - [ -0.0019068700000000, -0.0004574100000000, -0.0013615700000000 ] - [ -0.0021641900000000, -0.0000788200000000, 0.0003286500000000 ] - [ -0.0002935100000000, -0.0007327400000000, -0.0001001400000000 ] - [ -0.0508149000000000, 0.0125443100000000, -0.0305537500000000 ] - [ 0.0002279000000000, -0.0001572900000000, -0.0001111800000000 ] - [ -0.0000873300000000, 0.0009706500000000, 0.0000372400000000 ] - [ -0.0002076900000000, -0.0006622900000000, 0.0010309200000000 ] - [ 0.0000105800000000, 0.0007648700000000, 0.0009562900000000 ] - [ 0.0004335000000000, -0.0006107100000000, -0.0000732200000000 ] - [ 0.0046035600000000, -0.0017150300000000, 0.0027198900000000 ] - [ 0.0000263800000000, 0.0003533400000000, 0.0001039600000000 ] - [ 0.0015087900000000, 0.0018916500000000, 0.0012605600000000 ] - [ 0.0000652700000000, -0.0000045600000000, -0.0000977100000000 ] - [ -0.0017990300000000, -0.0029972300000000, -0.0047551200000000 ] - [ -0.0005220100000000, -0.0004058800000000, -0.0002590800000000 ] - [ -0.0000439600000000, -0.0000595800000000, -0.0000316200000000 ] - [ 0.0002682300000000, -0.0002385200000000, 0.0014755300000000 ] - [ 0.0009147500000000, -0.0005066500000000, -0.0003703600000000 ] - [ -0.0002615600000000, -0.0002860700000000, 0.0001177500000000 ] - [ -0.0041731800000000, 0.0063775100000000, -0.0042964400000000 ] - [ -0.0001746700000000, 0.0000977200000000, -0.0002326300000000 ] - [ 0.0047095400000000, 0.0036606000000000, 0.0011659300000000 ] - [ 0.0002090100000000, -0.0000650900000000, -0.0004368200000000 ] - [ 0.0001081500000000, 0.0003630200000000, -0.0020790700000000 ] - [ 0.0001008800000000, -0.0009738800000000, -0.0002029400000000 ] - [ -0.0003875200000000, -0.0008748900000000, -0.0001705700000000 ] - [ -0.0005096700000000, -0.0022938000000000, -0.0003627800000000 ] - [ 0.0005380200000000, -0.0003709500000000, 0.0005379700000000 ] - [ 0.0015474300000000, -0.0006874300000000, 0.0004799300000000 ] - [ -0.0004007000000000, 0.0002268300000000, -0.0001708200000000 ] - [ -0.0000317100000000, -0.0011849700000000, 0.0001322400000000 ] - [ 0.0002442800000000, -0.0010590200000000, 0.0000428200000000 ] - [ 0.0002303200000000, -0.0005533000000000, -0.0000347700000000 ] - [ 0.0024287000000000, 0.0006977400000000, 0.0002290000000000 ] - [ 0.0004045200000000, -0.0000979300000000, 0.0000986100000000 ] - [ -0.0555956100000000, 0.0423328100000000, -0.0051520500000000 ] - [ 0.0001532800000000, -0.0003566700000000, 0.0000119900000000 ] - [ 0.0067622100000000, -0.0029653300000000, 0.0022771900000000 ] - [ 0.0000738200000000, 0.0002241100000000, 0.0002293300000000 ] - [ 0.0013390300000000, 0.0010750500000000, -0.0017267300000000 ] - [ -0.0000460500000000, -0.0011289900000000, -0.0000306200000000 ] - [ 0.0016884800000000, -0.0008294100000000, 0.0001272700000000 ] - [ -0.0000762600000000, -0.0008630900000000, -0.0000365300000000 ] - [ -0.0004749700000000, -0.0003163000000000, -0.0003404400000000 ] - [ 0.0000026700000000, -0.0005360800000000, -0.0000529400000000 ] - [ -0.0001554300000000, -0.0005795500000000, 0.0017607900000000 ] - [ -0.0000996200000000, 0.0000219800000000, 0.0004581700000000 ] - [ 0.0009206000000000, 0.0023173100000000, 0.0020794600000000 ] - [ -0.0000030500000000, -0.0006131800000000, -0.0000331500000000 ] - [ -0.0040627800000000, 0.0016035100000000, 0.0001108900000000 ] - [ -0.0003521700000000, -0.0003228100000000, 0.0000593400000000 ] - [ -0.0001546000000000, 0.0000080300000000, 0.0001268500000000 ] - [ 0.0011667200000000, -0.0000542800000000, 0.0010063100000000 ] - [ -0.0004310300000000, -0.0005125500000000, -0.0003786200000000 ] - [ 0.0000566300000000, -0.0000885900000000, -0.0001483200000000 ] - [ -0.0011538900000000, 0.0009349800000000, -0.0006227800000000 ] - [ 0.0001580100000000, 0.0005453800000000, -0.0003642800000000 ] - [ 0.0001762400000000, -0.0002180400000000, 0.0001069100000000 ] - [ -0.0001821800000000, 0.0010651800000000, -0.0001124100000000 ] - [ 0.0000568800000000, -0.0015905200000000, 0.0006726700000000 ] - [ 0.0003929600000000, -0.0000571600000000, 0.0000808000000000 ] - [ -0.0003354600000000, 0.0008657700000000, -0.0002194300000000 ] - [ -0.0002887900000000, 0.0006337000000000, 0.0000519000000000 ] - [ 0.0806547200000000, -0.0867104400000000, 0.0685114100000000 ] - [ 0.0001966200000000, 0.0005222900000000, -0.0000342300000000 ] - [ -0.0009473900000000, 0.0016603800000000, 0.0019413800000000 ] - [ 0.0002507100000000, 0.0008971800000000, 0.0002055100000000 ] - [ 0.0009751600000000, -0.0000729100000000, 0.0007238200000000 ] - [ 0.0003382700000000, 0.0002077800000000, 0.0001716500000000 ] - [ 0.0011110600000000, 0.0189799600000000, -0.0158473800000000 ] - [ 0.0005344600000000, 0.0008072700000000, -0.0001410300000000 ] - [ 0.0060858600000000, 0.0124363500000000, -0.0102155500000000 ] - [ 0.0003144500000000, 0.0009839600000000, -0.0000813600000000 ] - [ -0.0003756800000000, 0.0001266700000000, -0.0000982800000000 ] - [ -0.0003769300000000, 0.0003046600000000, -0.0005461500000000 ] - [ -0.0002891800000000, 0.0000140400000000, 0.0004872400000000 ] - [ -0.0000047800000000, -0.0002943600000000, 0.0001480200000000 ] - [ -0.0000510900000000, -0.0029599500000000, -0.0017245700000000 ] - [ 0.0000693100000000, 0.0002580500000000, -0.0002354300000000 ] - [ -0.0000788700000000, -0.0011393300000000, 0.0000469700000000 ] - [ -0.0004068000000000, 0.0002881100000000, -0.0001555500000000 ] - [ -0.0015774500000000, 0.0013004100000000, 0.0008450200000000 ] - [ -0.0000834200000000, 0.0002512600000000, 0.0001603700000000 ] - [ -0.0024358500000000, -0.0010534400000000, 0.0003493200000000 ] - [ 0.0001177900000000, -0.0000292900000000, 0.0000949400000000 ] - [ -0.0012205600000000, -0.0008873000000000, -0.0010094100000000 ] - [ 0.0000337500000000, 0.0006051300000000, 0.0002067600000000 ] - [ -0.0000208000000000, -0.0005269700000000, 0.0000300200000000 ] - [ -0.0005996700000000, 0.0015288700000000, -0.0011937400000000 ] - [ 0.0019189700000000, 0.0001804000000000, 0.0013796000000000 ] - [ -0.0001326500000000, 0.0005767300000000, 0.0002983600000000 ] - [ -0.0012869400000000, -0.0011266000000000, -0.0000831100000000 ] - [ 0.0003238400000000, -0.0001415100000000, -0.0001954400000000 ] - [ 0.0129610700000000, 0.0059048600000000, 0.0027296700000000 ] - [ 0.0000297900000000, 0.0005207700000000, -0.0000602200000000 ] - [ -0.0002037100000000, -0.0003541400000000, -0.0008131700000000 ] - [ 0.0000995100000000, 0.0005214500000000, -0.0001248700000000 ] - [ -0.0023815500000000, -0.0002817700000000, -0.0003677600000000 ] - [ -0.0001704500000000, 0.0000898400000000, 0.0001332700000000 ] - [ -0.0027107600000000, -0.0023305800000000, 0.0002102500000000 ] - [ 0.0000187500000000, 0.0001216700000000, 0.0002472300000000 ] - [ 0.0155427700000000, -0.0060704100000000, -0.0129582300000000 ] - [ 0.0001345400000000, -0.0001561200000000, 0.0003447000000000 ] - [ -0.0001320900000000, -0.0007942400000000, 0.0004184700000000 ] - [ -0.0001849100000000, 0.0013774200000000, 0.0000468400000000 ] - [ 0.0007484400000000, -0.0010390700000000, -0.0004786600000000 ] - [ -0.0001856300000000, -0.0000274500000000, -0.0005929200000000 ] - [ -0.0007930900000000, -0.0006215500000000, 0.0002372200000000 ] - [ 0.0000692500000000, -0.0002019600000000, 0.0004550200000000 ] - [ -0.0001522600000000, -0.0008302500000000, 0.0001388300000000 ] - [ -0.0004689200000000, 0.0002019800000000, -0.0000633300000000 ] - [ -0.0008573000000000, 0.0007100000000000, -0.0017263900000000 ] - [ 0.0000124300000000, 0.0003742200000000, 0.0001860100000000 ] - [ 0.0001279400000000, 0.0000600800000000, -0.0005162000000000 ] - [ -0.0002018300000000, -0.0001195500000000, -0.0000093800000000 ] - [ -0.0015531500000000, -0.0004712000000000, -0.0009868700000000 ] - [ -0.0006634500000000, -0.0003346500000000, -0.0000447500000000 ] - [ -0.0100721600000000, 0.0014788700000000, 0.0050136500000000 ] - [ 0.0000324900000000, 0.0005603200000000, -0.0002658400000000 ] - [ 0.0001071300000000, 0.0000318600000000, -0.0001521300000000 ] - [ 0.0002084600000000, 0.0001461100000000, 0.0002149600000000 ] - [ -0.0004397200000000, 0.0025721300000000, -0.0032287400000000 ] - [ -0.0000668000000000, 0.0005343200000000, -0.0002094600000000 ] - [ -0.0003623000000000, 0.0002808400000000, -0.0000350200000000 ] - [ -0.0007997000000000, 0.0001130600000000, 0.0002159200000000 ] - [ -0.0014336200000000, -0.0000705900000000, -0.0010809500000000 ] - [ -0.0006067800000000, 0.0008089300000000, 0.0000761900000000 ] - [ 0.0006591000000000, -0.0002750300000000, 0.0000967300000000 ] - [ 0.0009040800000000, -0.0006557300000000, 0.0003001800000000 ] - [ -0.0008536200000000, 0.0005041300000000, 0.0012501900000000 ] - [ 0.0002569200000000, 0.0002513300000000, -0.0000817100000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0029043000000000, 0.0018298700000000, -0.0006316900000000 ] - [ 0.0000615500000000, -0.0022762600000000, 0.0001853400000000 ] - [ 0.0009154900000000, 0.0053680200000000, 0.0023053500000000 ] - [ 0.0006207100000000, -0.0020455800000000, 0.0000641500000000 ] - [ 0.0001665800000000, -0.0061321300000000, 0.0000608500000000 ] - [ -0.0034683000000000, -0.0059614700000000, -0.0015533200000000 ] - [ -0.0027035800000000, 0.0000910100000000, 0.0020498000000000 ] - [ -0.0000201500000000, -0.0021998300000000, -0.0001575700000000 ] - [ -0.0121510300000000, 0.0792189400000000, -0.0584667000000000 ] - [ 0.0005287100000000, -0.0027822700000000, 0.0000989100000000 ] - [ -0.0005189600000000, -0.0007152400000000, -0.0013926400000000 ] - [ -0.0003816600000000, -0.0036847500000000, 0.0024891700000000 ] - [ -0.0008105300000000, 0.0045858000000000, -0.0012994800000000 ] - [ 0.0008714700000000, -0.0019356800000000, 0.0006166200000000 ] - [ 0.0120788000000000, -0.0089072400000000, 0.0108616100000000 ] - [ -0.0001551200000000, -0.0018244800000000, 0.0003112200000000 ] - [ -0.0032802500000000, 0.0048070900000000, -0.0010537500000000 ] - [ 0.0003856900000000, -0.0017804700000000, -0.0001702200000000 ] - [ 0.0017870200000000, 0.0037227000000000, 0.0014392900000000 ] - [ -0.0009051500000000, -0.0016086300000000, -0.0007371600000000 ] - [ -0.0002805000000000, -0.0015220700000000, -0.0001839400000000 ] - [ 0.0000516500000000, -0.0013913900000000, 0.0018849700000000 ] - [ 0.0038279000000000, -0.0002928300000000, -0.0012943000000000 ] - [ -0.0012272300000000, -0.0016226000000000, -0.0003170700000000 ] - [ -0.0020649800000000, 0.0162942500000000, -0.0210830500000000 ] - [ -0.0006001900000000, -0.0019421700000000, -0.0004854500000000 ] - [ 0.0008366400000000, 0.0034845500000000, 0.0018088400000000 ] - [ -0.0001857300000000, -0.0013620100000000, -0.0011075000000000 ] - [ 0.0006602600000000, 0.0061476600000000, -0.0005069900000000 ] - [ -0.0001414800000000, -0.0031804300000000, -0.0003729300000000 ] - [ -0.0007332300000000, -0.0023704100000000, 0.0002345000000000 ] - [ 0.0029116800000000, -0.0007782600000000, -0.0015595500000000 ] - [ 0.0005953500000000, -0.0011489600000000, 0.0008574600000000 ] - [ 0.0029523500000000, -0.0017917700000000, 0.0009820700000000 ] - [ -0.0008862700000000, -0.0012282000000000, 0.0003153900000000 ] - [ 0.0001610000000000, -0.0027966300000000, 0.0000848400000000 ] - [ 0.0008187200000000, -0.0023253500000000, -0.0008872200000000 ] - [ -0.0000767600000000, -0.0012839900000000, 0.0003565500000000 ] - [ 0.0036419600000000, 0.0019893000000000, -0.0002385200000000 ] - [ 0.0000130400000000, -0.0013173800000000, -0.0004020900000000 ] - [ -0.0384432700000000, 0.2055968900000000, -0.0138697600000000 ] - [ 0.0004496000000000, -0.0024093400000000, 0.0000199300000000 ] - [ 0.0113807800000000, -0.0090471100000000, 0.0077098100000000 ] - [ 0.0002398800000000, -0.0016884800000000, -0.0000173000000000 ] - [ 0.0003120100000000, 0.0021674200000000, 0.0002087300000000 ] - [ -0.0003864100000000, -0.0026855800000000, -0.0002805800000000 ] - [ 0.0007332400000000, 0.0029909500000000, 0.0001255600000000 ] - [ -0.0000730900000000, -0.0025093600000000, 0.0001375500000000 ] - [ -0.0001283300000000, 0.0015499700000000, 0.0009976400000000 ] - [ -0.0002500900000000, -0.0021605300000000, -0.0003845000000000 ] - [ -0.0000336400000000, -0.0012961600000000, 0.0031629900000000 ] - [ 0.0004571800000000, -0.0009965500000000, 0.0007046800000000 ] - [ -0.0010608400000000, 0.0027378300000000, -0.0006191700000000 ] - [ 0.0002450300000000, -0.0022817500000000, 0.0000926900000000 ] - [ -0.0017099300000000, -0.0011285600000000, -0.0073886000000000 ] - [ -0.0000763700000000, -0.0017168400000000, 0.0008626500000000 ] - [ -0.0001352600000000, 0.0011252700000000, -0.0004712300000000 ] - [ -0.0013207300000000, 0.0016671600000000, 0.0030118900000000 ] - [ -0.0002318900000000, -0.0030014900000000, 0.0010254700000000 ] - [ 0.0000244500000000, 0.0009316500000000, -0.0008189700000000 ] - [ -0.0056418500000000, 0.0023778000000000, -0.0011366600000000 ] - [ 0.0001241800000000, 0.0013591700000000, -0.0006002100000000 ] - [ 0.0007736700000000, -0.0003088700000000, -0.0001633400000000 ] - [ -0.0002418800000000, 0.0022769500000000, 0.0001436100000000 ] - [ 0.0004475000000000, -0.0051281000000000, -0.0008883100000000 ] - [ 0.0006566200000000, 0.0017431800000000, 0.0004886000000000 ] - [ -0.0005936400000000, 0.0015232500000000, -0.0007243900000000 ] - [ -0.0009068400000000, 0.0014819300000000, -0.0004193900000000 ] - [ 0.0850982500000000, -0.3763500000000000, 0.1224765500000000 ] - [ -0.0001141900000000, 0.0021793000000000, -0.0004890000000000 ] - [ -0.0014771200000000, -0.0015148400000000, 0.0024147600000000 ] - [ 0.0004576000000000, 0.0023578500000000, -0.0001076900000000 ] - [ 0.0003286400000000, -0.0026297600000000, -0.0008159800000000 ] - [ 0.0006161700000000, 0.0015690900000000, 0.0005926000000000 ] - [ -0.0180791500000000, 0.0295001300000000, -0.0356379100000000 ] - [ 0.0001725100000000, 0.0019562000000000, -0.0004682700000000 ] - [ -0.0152381500000000, 0.0413053700000000, -0.0447169000000000 ] - [ 0.0002099800000000, 0.0032508600000000, -0.0004358800000000 ] - [ -0.0000997800000000, 0.0012938400000000, 0.0006356300000000 ] - [ -0.0002866400000000, 0.0012850900000000, -0.0009065400000000 ] - [ -0.0014101700000000, 0.0009266600000000, 0.0014417200000000 ] - [ 0.0005881100000000, 0.0005389100000000, 0.0002547800000000 ] - [ 0.0044681400000000, 0.0016629600000000, 0.0035494200000000 ] - [ -0.0003897100000000, 0.0013402900000000, -0.0007386200000000 ] - [ 0.0007191300000000, -0.0011963200000000, 0.0001116700000000 ] - [ -0.0006942200000000, 0.0014858300000000, -0.0003667900000000 ] - [ -0.0042965500000000, 0.0034547500000000, 0.0007958100000000 ] - [ 0.0002510800000000, 0.0017670100000000, 0.0007253900000000 ] - [ -0.0002934100000000, -0.0022471600000000, -0.0010779900000000 ] - [ 0.0000995400000000, 0.0009150300000000, 0.0004931900000000 ] - [ 0.0005369300000000, -0.0020178300000000, -0.0015043100000000 ] - [ -0.0000277100000000, 0.0016296600000000, 0.0008739300000000 ] - [ 0.0006159800000000, 0.0012824900000000, 0.0005772200000000 ] - [ -0.0011477500000000, 0.0056194600000000, -0.0032736700000000 ] - [ -0.0029623000000000, -0.0039828700000000, 0.0032691100000000 ] - [ 0.0003567600000000, 0.0015148100000000, 0.0005051600000000 ] - [ -0.0014349900000000, -0.0024411200000000, -0.0005875800000000 ] - [ 0.0007438000000000, 0.0007505300000000, 0.0000223100000000 ] - [ -0.0082208500000000, 0.0458077800000000, 0.0288077200000000 ] - [ 0.0000602500000000, 0.0019743600000000, 0.0001682400000000 ] - [ 0.0001634300000000, -0.0027095600000000, 0.0009377700000000 ] - [ 0.0000438500000000, 0.0015833500000000, -0.0006015200000000 ] - [ -0.0057958100000000, -0.0010616600000000, -0.0016052100000000 ] - [ 0.0001381300000000, 0.0009782300000000, 0.0004246800000000 ] - [ 0.0002338700000000, -0.0024340700000000, 0.0003318900000000 ] - [ 0.0000482900000000, 0.0011671900000000, 0.0004184300000000 ] - [ 0.0015202600000000, -0.0222198300000000, 0.0071407600000000 ] - [ 0.0000003300000000, 0.0016215200000000, 0.0007027300000000 ] - [ 0.0011057100000000, -0.0011275100000000, 0.0031484900000000 ] - [ 0.0001596100000000, 0.0038535800000000, 0.0002705400000000 ] - [ 0.0013788600000000, -0.0031091600000000, 0.0026118100000000 ] - [ -0.0006003200000000, 0.0010247300000000, -0.0012999000000000 ] - [ -0.0015796700000000, -0.0015131300000000, 0.0002788300000000 ] - [ 0.0006574900000000, 0.0007915800000000, 0.0010069700000000 ] - [ -0.0001179800000000, 0.0003488400000000, -0.0002142100000000 ] - [ -0.0011992800000000, 0.0008251300000000, -0.0000064200000000 ] - [ -0.0018300600000000, 0.0009347200000000, -0.0053958200000000 ] - [ 0.0000789000000000, 0.0015242700000000, 0.0002271200000000 ] - [ 0.0002883900000000, 0.0002710500000000, -0.0009110400000000 ] - [ -0.0003028100000000, 0.0005753500000000, -0.0003098400000000 ] - [ -0.0003288400000000, -0.0024146300000000, 0.0007194400000000 ] - [ -0.0009855500000000, 0.0006689200000000, -0.0004241400000000 ] - [ -0.0013381100000000, -0.0046797800000000, -0.0013165200000000 ] - [ 0.0004646000000000, 0.0015480000000000, 0.0002568500000000 ] - [ 0.0001813900000000, 0.0008605600000000, -0.0003558000000000 ] - [ -0.0004063800000000, -0.0004013800000000, 0.0005326800000000 ] - [ -0.0003470200000000, 0.0038817800000000, -0.0054341500000000 ] - [ -0.0001681400000000, 0.0014564100000000, -0.0005182800000000 ] - [ -0.0006782700000000, 0.0009359500000000, -0.0001273100000000 ] - [ -0.0015300400000000, 0.0003315900000000, 0.0004045600000000 ] - [ -0.0002518500000000, -0.0000817300000000, -0.0009992700000000 ] - [ -0.0004509700000000, 0.0017804100000000, 0.0004174100000000 ] - [ 0.0007408400000000, 0.0006791600000000, 0.0007101400000000 ] - [ 0.0014449100000000, -0.0008130200000000, -0.0007788200000000 ] - [ -0.0012382700000000, -0.0015988300000000, -0.0009640600000000 ] - [ 0.0005405100000000, 0.0010322100000000, 0.0001179500000000 ]- atom: 69 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0024510200000000, -0.0024794500000000, 0.0007366800000000 ] - [ 0.0004099600000000, 0.0016344000000000, -0.0000847600000000 ] - [ -0.0005026300000000, -0.0047506400000000, -0.0022790000000000 ] - [ -0.0001522800000000, 0.0027142700000000, 0.0000380100000000 ] - [ -0.0006420000000000, 0.0068444600000000, -0.0001628100000000 ] - [ 0.0030076600000000, 0.0066437200000000, 0.0014558000000000 ] - [ 0.0022737500000000, -0.0007563000000000, -0.0021898900000000 ] - [ -0.0004520200000000, 0.0015607700000000, 0.0000558800000000 ] - [ 0.0122360000000000, -0.0786482400000000, 0.0569023100000000 ] - [ -0.0001774700000000, 0.0036877000000000, -0.0003309400000000 ] - [ 0.0001637600000000, 0.0015740300000000, 0.0016354300000000 ] - [ 0.0000302000000000, 0.0045912200000000, -0.0022630400000000 ] - [ 0.0013851800000000, -0.0051283000000000, 0.0007725400000000 ] - [ -0.0003074100000000, 0.0014411400000000, -0.0011506600000000 ] - [ -0.0121919300000000, 0.0103287100000000, -0.0108317900000000 ] - [ 0.0000928200000000, 0.0031882400000000, -0.0002181100000000 ] - [ 0.0030916800000000, -0.0039236100000000, 0.0008490700000000 ] - [ -0.0005898600000000, 0.0026804800000000, -0.0000468400000000 ] - [ -0.0025904500000000, -0.0039870200000000, -0.0017001500000000 ] - [ 0.0001099700000000, 0.0014024800000000, 0.0005208500000000 ] - [ 0.0000244600000000, 0.0017399300000000, -0.0000117000000000 ] - [ -0.0003067900000000, 0.0016207700000000, -0.0020917000000000 ] - [ -0.0044470100000000, -0.0002187100000000, 0.0018346800000000 ] - [ 0.0006623400000000, 0.0011268100000000, 0.0008505300000000 ] - [ 0.0022289500000000, -0.0153391900000000, 0.0212306400000000 ] - [ 0.0006664500000000, 0.0033078900000000, 0.0003948300000000 ] - [ -0.0002459500000000, -0.0029654300000000, -0.0023280500000000 ] - [ 0.0007579700000000, 0.0018791600000000, 0.0005857000000000 ] - [ -0.0003125000000000, -0.0070650100000000, 0.0002820000000000 ] - [ 0.0004976300000000, 0.0023150400000000, 0.0001447300000000 ] - [ 0.0008087500000000, 0.0010305000000000, -0.0003293700000000 ] - [ -0.0028464000000000, -0.0005536100000000, 0.0014655900000000 ] - [ 0.0002004600000000, 0.0009375900000000, -0.0006423500000000 ] - [ -0.0021675700000000, 0.0015879900000000, -0.0007673200000000 ] - [ 0.0005449200000000, 0.0003397300000000, -0.0000811200000000 ] - [ -0.0005164900000000, 0.0019315700000000, 0.0001448800000000 ] - [ -0.0006302700000000, 0.0014529800000000, 0.0011134400000000 ] - [ 0.0002747000000000, 0.0004111000000000, -0.0001398700000000 ] - [ -0.0028910800000000, -0.0017982500000000, 0.0004644000000000 ] - [ 0.0007864400000000, 0.0015431000000000, 0.0006269700000000 ] - [ 0.0433880500000000, -0.2203785600000000, 0.0172608400000000 ] - [ -0.0001972500000000, 0.0026391600000000, 0.0001736500000000 ] - [ -0.0112821200000000, 0.0100356400000000, -0.0075574700000000 ] - [ -0.0000441900000000, 0.0025876500000000, 0.0002321800000000 ] - [ -0.0003782500000000, -0.0035549700000000, -0.0001020600000000 ] - [ 0.0003250500000000, 0.0013498000000000, 0.0003761100000000 ] - [ -0.0009335100000000, -0.0038986300000000, -0.0003520800000000 ] - [ -0.0001239100000000, 0.0016387200000000, -0.0003551600000000 ] - [ 0.0003848800000000, -0.0017556700000000, -0.0008055500000000 ] - [ 0.0005079000000000, 0.0019599600000000, 0.0005824100000000 ] - [ -0.0005381800000000, 0.0018157400000000, -0.0026698300000000 ] - [ -0.0010309400000000, 0.0015130700000000, -0.0001824500000000 ] - [ 0.0008085600000000, -0.0030033100000000, 0.0004254900000000 ] - [ -0.0005020300000000, 0.0020828100000000, -0.0002879100000000 ] - [ 0.0009047700000000, 0.0013681000000000, 0.0071728600000000 ] - [ -0.0007237500000000, 0.0019484700000000, -0.0010932900000000 ] - [ -0.0004866600000000, -0.0018105300000000, 0.0009211800000000 ] - [ 0.0006965600000000, -0.0023144200000000, -0.0025588800000000 ] - [ 0.0003939600000000, 0.0023157300000000, -0.0009445600000000 ] - [ 0.0001294900000000, -0.0016410000000000, 0.0009035300000000 ] - [ 0.0062758300000000, -0.0017195500000000, 0.0007003700000000 ] - [ 0.0004953000000000, -0.0006933600000000, 0.0001602600000000 ] - [ -0.0010960300000000, 0.0015219300000000, -0.0003012100000000 ] - [ -0.0000670200000000, -0.0010924800000000, -0.0006093000000000 ] - [ 0.0002051600000000, 0.0041392500000000, 0.0008266900000000 ] - [ -0.0000033500000000, -0.0027830600000000, -0.0005578300000000 ] - [ 0.0007416200000000, -0.0008905000000000, 0.0015629000000000 ] - [ 0.0010517700000000, -0.0008490100000000, 0.0012519000000000 ] - [ -0.0894212300000000, 0.3929446800000000, -0.1242597400000000 ] - [ 0.0006210100000000, -0.0018884300000000, 0.0005535700000000 ] - [ 0.0017930600000000, 0.0027115400000000, -0.0019607700000000 ] - [ -0.0001508700000000, -0.0011707500000000, 0.0005735900000000 ] - [ 0.0001698600000000, 0.0023277300000000, 0.0008829400000000 ] - [ -0.0001140600000000, -0.0018862300000000, -0.0005348700000000 ] - [ 0.0195262100000000, -0.0287719000000000, 0.0360929000000000 ] - [ 0.0009355600000000, -0.0007340100000000, 0.0002828900000000 ] - [ 0.0157443800000000, -0.0399181300000000, 0.0440508600000000 ] - [ 0.0004451800000000, -0.0022452100000000, 0.0003724500000000 ] - [ -0.0004020000000000, -0.0009850700000000, -0.0006972500000000 ] - [ -0.0002197600000000, -0.0009927700000000, 0.0008455100000000 ] - [ 0.0012743600000000, -0.0016369600000000, -0.0015355200000000 ] - [ -0.0007421300000000, -0.0012478200000000, -0.0003391700000000 ] - [ -0.0040724900000000, -0.0017768500000000, -0.0037847400000000 ] - [ 0.0007553500000000, -0.0014842200000000, 0.0004961800000000 ] - [ -0.0012363500000000, 0.0009140700000000, -0.0001802200000000 ] - [ 0.0001922200000000, -0.0018029800000000, 0.0003082100000000 ] - [ 0.0040572700000000, -0.0029438200000000, -0.0008022700000000 ] - [ -0.0005277600000000, -0.0012375100000000, -0.0007281300000000 ] - [ 0.0005593900000000, 0.0017132200000000, 0.0010866300000000 ] - [ 0.0001777500000000, -0.0014613000000000, -0.0004981000000000 ] - [ -0.0003879200000000, 0.0027191500000000, 0.0015777900000000 ] - [ 0.0001825300000000, -0.0009383400000000, -0.0008009300000000 ] - [ -0.0009335300000000, -0.0024830400000000, -0.0010560700000000 ] - [ 0.0008370100000000, -0.0068370400000000, 0.0028241000000000 ] - [ 0.0023507200000000, 0.0047303700000000, -0.0028659600000000 ] - [ -0.0009789800000000, -0.0008500400000000, -0.0000635500000000 ] - [ 0.0020770700000000, 0.0017967400000000, 0.0001518100000000 ] - [ -0.0001267600000000, -0.0014311900000000, -0.0004686200000000 ] - [ 0.0083471300000000, -0.0465041600000000, -0.0298824800000000 ] - [ -0.0001180300000000, -0.0016355800000000, -0.0005746900000000 ] - [ 0.0001168200000000, 0.0032591500000000, -0.0009393100000000 ] - [ 0.0002342500000000, -0.0010546700000000, 0.0006036000000000 ] - [ 0.0055209500000000, 0.0009418800000000, 0.0018827400000000 ] - [ -0.0005002900000000, -0.0011179000000000, -0.0001788000000000 ] - [ -0.0001600400000000, 0.0021202600000000, 0.0000655500000000 ] - [ 0.0000092500000000, -0.0015264900000000, -0.0000155500000000 ] - [ -0.0011481200000000, 0.0212906700000000, -0.0061651300000000 ] - [ 0.0003109100000000, -0.0028347800000000, -0.0002418600000000 ] - [ -0.0017731500000000, 0.0022270600000000, -0.0031092700000000 ] - [ -0.0008174100000000, -0.0028475400000000, -0.0002083600000000 ] - [ -0.0015284100000000, 0.0024712100000000, -0.0034543100000000 ] - [ 0.0004646800000000, -0.0016778500000000, 0.0004815700000000 ] - [ 0.0017407900000000, 0.0008892200000000, 0.0005497800000000 ] - [ -0.0005210900000000, -0.0014424800000000, -0.0001855100000000 ] - [ -0.0005418800000000, -0.0013721000000000, 0.0002798200000000 ] - [ 0.0005459100000000, -0.0018645800000000, 0.0000731800000000 ] - [ 0.0018904700000000, -0.0006017800000000, 0.0058137200000000 ] - [ -0.0000214900000000, -0.0011814500000000, 0.0001759200000000 ] - [ -0.0005718900000000, -0.0008091100000000, 0.0009231600000000 ] - [ 0.0000270500000000, -0.0011218500000000, 0.0003147100000000 ] - [ -0.0007722900000000, 0.0012028000000000, -0.0005346000000000 ] - [ -0.0001176800000000, -0.0019092000000000, 0.0006165900000000 ] - [ 0.0011206500000000, 0.0053664200000000, 0.0005220500000000 ] - [ -0.0006072100000000, -0.0009140500000000, -0.0010883600000000 ] - [ -0.0002419600000000, -0.0012159000000000, -0.0000467500000000 ] - [ 0.0003481400000000, 0.0000434300000000, -0.0009361900000000 ] - [ 0.0001973100000000, -0.0032248500000000, 0.0054212900000000 ] - [ 0.0000159000000000, -0.0007646600000000, 0.0004453900000000 ] - [ 0.0003230600000000, -0.0008101300000000, 0.0003783800000000 ] - [ 0.0011739600000000, -0.0002030200000000, -0.0001570100000000 ] - [ -0.0008513300000000, 0.0013116100000000, 0.0011910200000000 ] - [ -0.0006532800000000, -0.0005547100000000, -0.0002285500000000 ] - [ 0.0003645800000000, -0.0019198400000000, -0.0009059600000000 ] - [ -0.0003437000000000, -0.0004243900000000, 0.0005899500000000 ] - [ 0.0015988700000000, 0.0017485600000000, 0.0007391900000000 ] - [ -0.0001811200000000, -0.0009061300000000, -0.0003667500000000 ]- atom: 69 displacement: [ -0.0045139598196510, 0.0000000000000000, 0.0089232374588249 ] forces: - [ 0.0012760100000000, -0.0015838200000000, 0.0016040800000000 ] - [ 0.0002740400000000, 0.0001031800000000, 0.0000715100000000 ] - [ -0.0044233900000000, -0.0009061900000000, -0.0054078700000000 ] - [ 0.0000761900000000, 0.0007594300000000, -0.0000396900000000 ] - [ 0.0005233100000000, 0.0004488300000000, 0.0010452800000000 ] - [ 0.0011683800000000, 0.0022844600000000, 0.0022579800000000 ] - [ 0.0016794100000000, 0.0003275500000000, -0.0031789200000000 ] - [ -0.0002326200000000, -0.0002388600000000, -0.0002161700000000 ] - [ 0.0062408800000000, -0.0425017500000000, 0.1977510400000000 ] - [ 0.0001609400000000, 0.0008325000000000, -0.0000392400000000 ] - [ -0.0008526900000000, -0.0021745900000000, -0.0006992900000000 ] - [ -0.0001499300000000, 0.0019562500000000, -0.0010225000000000 ] - [ -0.0025159900000000, 0.0000647500000000, -0.0026358300000000 ] - [ 0.0000845100000000, 0.0000954700000000, -0.0004332000000000 ] - [ -0.0053969500000000, 0.0070928500000000, -0.0061698300000000 ] - [ -0.0005021800000000, 0.0002968600000000, 0.0000835000000000 ] - [ -0.0017369400000000, -0.0002612600000000, 0.0002344600000000 ] - [ -0.0002699100000000, 0.0008381000000000, -0.0001776100000000 ] - [ 0.0017654000000000, -0.0013586700000000, -0.0025699200000000 ] - [ -0.0002272600000000, 0.0001887400000000, -0.0000027500000000 ] - [ -0.0003695900000000, -0.0001267200000000, -0.0004623900000000 ] - [ -0.0003678800000000, 0.0009968300000000, -0.0023880800000000 ] - [ -0.0017719000000000, -0.0001338900000000, 0.0019621400000000 ] - [ -0.0002295900000000, -0.0000216800000000, 0.0005402200000000 ] - [ 0.0051200100000000, -0.0152278300000000, 0.0025453900000000 ] - [ 0.0003653600000000, 0.0012998100000000, 0.0002024400000000 ] - [ 0.0027750700000000, 0.0023919600000000, 0.0015394400000000 ] - [ 0.0004032600000000, 0.0005596000000000, -0.0001092300000000 ] - [ 0.0014347100000000, -0.0023542000000000, -0.0045441600000000 ] - [ 0.0002425100000000, 0.0000456100000000, -0.0001326300000000 ] - [ 0.0000809600000000, -0.0001330100000000, -0.0002288700000000 ] - [ 0.0002637500000000, -0.0030797100000000, -0.0003875000000000 ] - [ 0.0001066400000000, 0.0003448500000000, -0.0002124800000000 ] - [ -0.0009300800000000, 0.0008660100000000, -0.0004950300000000 ] - [ -0.0000292800000000, 0.0006868400000000, 0.0006324800000000 ] - [ -0.0000668500000000, -0.0007402900000000, 0.0004003700000000 ] - [ 0.0001465000000000, 0.0001190500000000, 0.0002124500000000 ] - [ 0.0000691800000000, -0.0001038500000000, -0.0000427000000000 ] - [ -0.0012904700000000, -0.0003023300000000, 0.0005408200000000 ] - [ 0.0004598900000000, 0.0003745100000000, 0.0001112600000000 ] - [ -0.0204671100000000, 0.0051627700000000, 0.0476877800000000 ] - [ 0.0001056900000000, 0.0005115500000000, 0.0002893800000000 ] - [ -0.0078556200000000, 0.0078717400000000, -0.0044118400000000 ] - [ -0.0000429500000000, 0.0006365400000000, 0.0001273600000000 ] - [ 0.0023273600000000, 0.0001859900000000, -0.0009801500000000 ] - [ 0.0001380400000000, -0.0004711900000000, 0.0000937700000000 ] - [ 0.0007949100000000, -0.0010892300000000, -0.0008228600000000 ] - [ -0.0001184000000000, -0.0000835500000000, -0.0001418200000000 ] - [ 0.0004998200000000, -0.0004324000000000, -0.0015188100000000 ] - [ 0.0002675500000000, 0.0002992400000000, 0.0000414400000000 ] - [ -0.0004296300000000, 0.0013745800000000, -0.0017678200000000 ] - [ -0.0006870800000000, 0.0005188700000000, -0.0001420900000000 ] - [ 0.0003993600000000, 0.0006757600000000, 0.0027659400000000 ] - [ -0.0001837500000000, 0.0001949200000000, -0.0000596900000000 ] - [ -0.0025156200000000, -0.0049035900000000, -0.0001279000000000 ] - [ -0.0005011000000000, 0.0005843800000000, -0.0002314000000000 ] - [ -0.0002514600000000, -0.0007214800000000, 0.0002208100000000 ] - [ -0.0004149100000000, 0.0014616400000000, -0.0004096500000000 ] - [ 0.0010261800000000, -0.0006643500000000, 0.0012622700000000 ] - [ 0.0001222600000000, -0.0005801700000000, 0.0001952500000000 ] - [ 0.0039429000000000, -0.0010233300000000, 0.0000903400000000 ] - [ 0.0007712300000000, 0.0001444700000000, -0.0001819200000000 ] - [ -0.0008325400000000, -0.0001040700000000, -0.0002835000000000 ] - [ -0.0002157000000000, 0.0005879000000000, -0.0002404600000000 ] - [ -0.0014497100000000, 0.0001152700000000, 0.0017835100000000 ] - [ 0.0002544600000000, -0.0008690900000000, -0.0000939700000000 ] - [ 0.0006019400000000, -0.0003296200000000, 0.0011229000000000 ] - [ 0.0006102100000000, -0.0001320700000000, 0.0009812400000000 ] - [ -0.0238381200000000, 0.0680726600000000, -0.3083921600000000 ] - [ 0.0002863100000000, -0.0001402100000000, 0.0000088700000000 ] - [ -0.0015140300000000, 0.0027203200000000, 0.0017636700000000 ] - [ 0.0000938400000000, 0.0001988000000000, 0.0003276600000000 ] - [ -0.0000247200000000, 0.0006370900000000, 0.0021935000000000 ] - [ 0.0001706400000000, -0.0004873200000000, -0.0000221900000000 ] - [ 0.0219576700000000, -0.0322042300000000, 0.0194409700000000 ] - [ 0.0006167000000000, 0.0004599300000000, -0.0001272000000000 ] - [ 0.0102859700000000, -0.0240556600000000, 0.0107160200000000 ] - [ 0.0003607600000000, 0.0003504600000000, -0.0000882500000000 ] - [ 0.0001514600000000, 0.0009203900000000, 0.0008472900000000 ] - [ -0.0002480200000000, -0.0003693700000000, 0.0006410000000000 ] - [ -0.0000332900000000, -0.0008064600000000, -0.0010930200000000 ] - [ -0.0002068500000000, -0.0005470600000000, -0.0002011300000000 ] - [ 0.0017146100000000, 0.0008677800000000, -0.0012654500000000 ] - [ 0.0002707100000000, -0.0003939200000000, -0.0001198600000000 ] - [ -0.0002440500000000, -0.0004687800000000, -0.0004989800000000 ] - [ -0.0002159700000000, -0.0002509100000000, -0.0002249200000000 ] - [ 0.0022911300000000, -0.0024854500000000, -0.0018526400000000 ] - [ -0.0001325000000000, 0.0001523200000000, -0.0003245000000000 ] - [ -0.0013182800000000, -0.0004797200000000, 0.0003099000000000 ] - [ 0.0001323000000000, -0.0004972300000000, -0.0000960100000000 ] - [ -0.0001147900000000, -0.0000293500000000, -0.0009554200000000 ] - [ 0.0000895900000000, 0.0001223800000000, -0.0000848900000000 ] - [ 0.0000355500000000, 0.0005970200000000, -0.0005301900000000 ] - [ 0.0000817400000000, -0.0033964000000000, 0.0009997200000000 ] - [ -0.0030905900000000, 0.0028447100000000, 0.0006408500000000 ] - [ -0.0005739800000000, 0.0000961400000000, 0.0001878500000000 ] - [ 0.0001221300000000, 0.0002684900000000, 0.0007948700000000 ] - [ 0.0001757000000000, -0.0005135200000000, -0.0002110300000000 ] - [ 0.0034849200000000, 0.0162123900000000, -0.0112396900000000 ] - [ -0.0000844200000000, -0.0002086400000000, -0.0004206700000000 ] - [ 0.0016511600000000, 0.0005219800000000, 0.0004727700000000 ] - [ 0.0002080500000000, 0.0000458200000000, 0.0001195800000000 ] - [ 0.0038193700000000, 0.0002599600000000, 0.0015894500000000 ] - [ -0.0001725200000000, -0.0002399500000000, 0.0001125200000000 ] - [ -0.0021950000000000, -0.0012242800000000, -0.0006686000000000 ] - [ 0.0000071500000000, -0.0003748200000000, 0.0001365200000000 ] - [ 0.0149470900000000, 0.0139938400000000, 0.0465076700000000 ] - [ 0.0001525700000000, -0.0009807200000000, 0.0001224500000000 ] - [ 0.0002098100000000, 0.0053184800000000, 0.0014046100000000 ] - [ -0.0005070200000000, -0.0006094800000000, 0.0000136400000000 ] - [ 0.0016164700000000, 0.0012154100000000, 0.0014836800000000 ] - [ 0.0000712500000000, -0.0006174900000000, -0.0002428900000000 ] - [ 0.0005550400000000, -0.0000902700000000, 0.0000961000000000 ] - [ -0.0000081200000000, -0.0004988500000000, 0.0003303700000000 ] - [ -0.0002838200000000, -0.0011585800000000, 0.0000753000000000 ] - [ -0.0006136900000000, 0.0002154900000000, -0.0004904100000000 ] - [ 0.0010160300000000, -0.0012300100000000, 0.0032676000000000 ] - [ 0.0001425400000000, 0.0002252800000000, 0.0003334300000000 ] - [ -0.0006165300000000, -0.0005632700000000, 0.0008290100000000 ] - [ -0.0000400300000000, -0.0005031000000000, 0.0002062400000000 ] - [ -0.0004951600000000, 0.0000098500000000, -0.0010722800000000 ] - [ -0.0004662200000000, -0.0008198500000000, 0.0001317100000000 ] - [ -0.0079851800000000, 0.0014926100000000, 0.0009474100000000 ] - [ -0.0001905400000000, 0.0000918300000000, -0.0005452200000000 ] - [ -0.0001370000000000, -0.0004840400000000, -0.0000288300000000 ] - [ -0.0000577700000000, 0.0001923900000000, 0.0007275300000000 ] - [ 0.0000184700000000, -0.0022275800000000, 0.0036398200000000 ] - [ 0.0000660300000000, 0.0002237000000000, 0.0002117000000000 ] - [ -0.0000357300000000, -0.0002124300000000, 0.0001946300000000 ] - [ 0.0005149600000000, -0.0001308400000000, -0.0000830600000000 ] - [ 0.0000251600000000, 0.0010583400000000, 0.0012548300000000 ] - [ -0.0004303800000000, 0.0005283800000000, 0.0003681100000000 ] - [ 0.0003549800000000, -0.0009186100000000, -0.0001911000000000 ] - [ 0.0001674900000000, -0.0006202800000000, 0.0007279500000000 ] - [ -0.0013322100000000, 0.0003701900000000, 0.0016346500000000 ] - [ 0.0000914800000000, -0.0000925600000000, -0.0001279200000000 ]- atom: 69 displacement: [ 0.0045139598196510, 0.0000000000000000, -0.0089232374588249 ] forces: - [ -0.0007840300000000, 0.0009372600000000, -0.0015061200000000 ] - [ 0.0001988100000000, -0.0007652400000000, 0.0000330400000000 ] - [ 0.0049316500000000, 0.0015826000000000, 0.0055586900000000 ] - [ 0.0003994700000000, -0.0001176700000000, 0.0001441200000000 ] - [ -0.0009952500000000, 0.0001596900000000, -0.0011492500000000 ] - [ -0.0016611500000000, -0.0016579600000000, -0.0023844600000000 ] - [ -0.0021731400000000, -0.0009764700000000, 0.0030848200000000 ] - [ -0.0002400300000000, -0.0004233600000000, 0.0001121600000000 ] - [ -0.0091150000000000, 0.0476716700000000, -0.2071043500000000 ] - [ 0.0001931700000000, 0.0000369100000000, -0.0001935200000000 ] - [ 0.0005009900000000, 0.0030677500000000, 0.0009230200000000 ] - [ -0.0002031400000000, -0.0010934900000000, 0.0012684500000000 ] - [ 0.0030818300000000, -0.0005514700000000, 0.0021211300000000 ] - [ 0.0004853600000000, -0.0006108500000000, -0.0000867900000000 ] - [ 0.0053749300000000, -0.0057848000000000, 0.0063246100000000 ] - [ 0.0004417400000000, 0.0010435200000000, 0.0000103100000000 ] - [ 0.0015495200000000, 0.0011622800000000, -0.0004390100000000 ] - [ 0.0000776900000000, 0.0000380000000000, -0.0000364100000000 ] - [ -0.0025627900000000, 0.0011562000000000, 0.0023431700000000 ] - [ -0.0005777000000000, -0.0004113700000000, -0.0002190100000000 ] - [ 0.0001164500000000, 0.0003401900000000, 0.0002700100000000 ] - [ 0.0001183600000000, -0.0007912700000000, 0.0022173100000000 ] - [ 0.0012366500000000, -0.0003727300000000, -0.0014458900000000 ] - [ -0.0003392600000000, -0.0004908400000000, -0.0000198200000000 ] - [ -0.0051222000000000, 0.0167735800000000, -0.0028624700000000 ] - [ -0.0003096100000000, 0.0000373500000000, -0.0002989500000000 ] - [ -0.0021880000000000, -0.0018681200000000, -0.0020597000000000 ] - [ 0.0001619500000000, -0.0000612100000000, -0.0004203600000000 ] - [ -0.0010808100000000, 0.0014844900000000, 0.0043111900000000 ] - [ 0.0001086300000000, -0.0009436500000000, -0.0001016700000000 ] - [ -0.0000271900000000, -0.0012248000000000, 0.0001366000000000 ] - [ -0.0002083100000000, 0.0017255400000000, 0.0002955600000000 ] - [ 0.0006968800000000, -0.0005648800000000, 0.0004357800000000 ] - [ 0.0017512200000000, -0.0010948200000000, 0.0007203800000000 ] - [ -0.0003268900000000, -0.0015709300000000, -0.0003964500000000 ] - [ -0.0002838700000000, -0.0001545700000000, -0.0001675700000000 ] - [ 0.0000563000000000, -0.0010159300000000, -0.0000057600000000 ] - [ 0.0001281800000000, -0.0007895400000000, 0.0002563600000000 ] - [ 0.0021169300000000, 0.0005330600000000, -0.0003154200000000 ] - [ 0.0003412100000000, -0.0001655600000000, 0.0001062900000000 ] - [ 0.0204595500000000, -0.0036417500000000, -0.0475230900000000 ] - [ 0.0001498900000000, -0.0003081700000000, -0.0000979900000000 ] - [ 0.0081595000000000, -0.0070654500000000, 0.0046937800000000 ] - [ 0.0002403500000000, 0.0002417800000000, 0.0000875300000000 ] - [ -0.0023792000000000, -0.0015170400000000, 0.0010750800000000 ] - [ -0.0001990400000000, -0.0008892600000000, -0.0000025000000000 ] - [ -0.0009768200000000, 0.0002160400000000, 0.0006093200000000 ] - [ -0.0000774100000000, -0.0008133000000000, -0.0000707400000000 ] - [ -0.0002499700000000, 0.0002158400000000, 0.0017177100000000 ] - [ -0.0000156800000000, -0.0005255000000000, 0.0001472100000000 ] - [ -0.0001345800000000, -0.0008771800000000, 0.0023118000000000 ] - [ 0.0001256200000000, -0.0000199100000000, 0.0006721400000000 ] - [ -0.0006559700000000, -0.0008701300000000, -0.0029620200000000 ] - [ -0.0000681200000000, -0.0004211600000000, -0.0001325700000000 ] - [ 0.0017009000000000, 0.0051236000000000, -0.0000862700000000 ] - [ -0.0002989100000000, -0.0003785100000000, 0.0000170400000000 ] - [ -0.0003619500000000, 0.0000524300000000, 0.0002231000000000 ] - [ -0.0001937000000000, -0.0021398600000000, 0.0008608700000000 ] - [ -0.0008861600000000, -0.0000403100000000, -0.0011900000000000 ] - [ 0.0000286300000000, -0.0001102000000000, -0.0001274900000000 ] - [ -0.0033724100000000, 0.0017176500000000, -0.0005445400000000 ] - [ -0.0001567000000000, 0.0005356200000000, -0.0002673100000000 ] - [ 0.0005303700000000, 0.0012880600000000, -0.0001796400000000 ] - [ -0.0000920400000000, 0.0006117300000000, -0.0002202600000000 ] - [ 0.0021026800000000, -0.0011573100000000, -0.0018402200000000 ] - [ 0.0004041500000000, -0.0001419300000000, 0.0000350900000000 ] - [ -0.0004757500000000, 0.0009782300000000, -0.0002984000000000 ] - [ -0.0004869300000000, 0.0007830000000000, -0.0001572300000000 ] - [ 0.0282149000000000, -0.0733837600000000, 0.3186348100000000 ] - [ 0.0002200600000000, 0.0004528600000000, 0.0000494800000000 ] - [ 0.0018090500000000, -0.0015171000000000, -0.0012905500000000 ] - [ 0.0002171100000000, 0.0010034500000000, 0.0001340400000000 ] - [ 0.0005384600000000, -0.0009463800000000, -0.0021369900000000 ] - [ 0.0003394400000000, 0.0001909700000000, 0.0000867000000000 ] - [ -0.0206781400000000, 0.0333254100000000, -0.0197174300000000 ] - [ 0.0004928000000000, 0.0007793800000000, -0.0000631500000000 ] - [ -0.0097542100000000, 0.0254000800000000, -0.0109271800000000 ] - [ 0.0002967200000000, 0.0006833200000000, 0.0000268000000000 ] - [ -0.0006608900000000, -0.0006166500000000, -0.0009096800000000 ] - [ -0.0002603600000000, 0.0006805900000000, -0.0007096800000000 ] - [ -0.0001272100000000, 0.0001172100000000, 0.0010290400000000 ] - [ 0.0000594000000000, -0.0001450300000000, 0.0001320700000000 ] - [ -0.0013473500000000, -0.0010197500000000, 0.0010206200000000 ] - [ 0.0000909500000000, 0.0002631800000000, -0.0001242900000000 ] - [ -0.0002575400000000, 0.0001559900000000, 0.0004385800000000 ] - [ -0.0002940400000000, -0.0000447000000000, 0.0001625600000000 ] - [ -0.0025936000000000, 0.0030504500000000, 0.0018597500000000 ] - [ -0.0001379400000000, 0.0003972900000000, 0.0003354600000000 ] - [ 0.0015812500000000, -0.0000718400000000, -0.0003188600000000 ] - [ 0.0001398300000000, -0.0000416900000000, 0.0000921100000000 ] - [ 0.0002599700000000, 0.0007153300000000, 0.0010207400000000 ] - [ 0.0000599700000000, 0.0005801500000000, 0.0001619500000000 ] - [ -0.0003391300000000, -0.0017888900000000, 0.0000762800000000 ] - [ -0.0003946900000000, 0.0022397000000000, -0.0014803400000000 ] - [ 0.0024779800000000, -0.0022041000000000, -0.0001601400000000 ] - [ -0.0000379900000000, 0.0005861300000000, 0.0002613300000000 ] - [ 0.0004819000000000, -0.0009594200000000, -0.0012515600000000 ] - [ 0.0004415900000000, -0.0001579600000000, -0.0002356200000000 ] - [ -0.0036473100000000, -0.0157320200000000, 0.0110617300000000 ] - [ 0.0000310700000000, 0.0005702600000000, 0.0000178900000000 ] - [ -0.0013855900000000, 0.0000155300000000, -0.0004893400000000 ] - [ 0.0000632800000000, 0.0005050400000000, -0.0001300700000000 ] - [ -0.0042205800000000, -0.0004086200000000, -0.0013635400000000 ] - [ -0.0001926600000000, 0.0001061800000000, 0.0001282900000000 ] - [ 0.0022418900000000, 0.0008577900000000, 0.0010710100000000 ] - [ 0.0000477500000000, 0.0000283300000000, 0.0002697800000000 ] - [ -0.0150809200000000, -0.0155219900000000, -0.0469989100000000 ] - [ 0.0001558600000000, -0.0002030700000000, 0.0003435300000000 ] - [ -0.0008537300000000, -0.0043417800000000, -0.0013254200000000 ] - [ -0.0001480300000000, 0.0016496000000000, 0.0000466100000000 ] - [ -0.0017336500000000, -0.0018551100000000, -0.0022894600000000 ] - [ -0.0002041900000000, -0.0000186100000000, -0.0005925500000000 ] - [ -0.0004395400000000, -0.0005628800000000, 0.0007303500000000 ] - [ 0.0001405300000000, -0.0001392000000000, 0.0005029800000000 ] - [ -0.0003711800000000, 0.0001376600000000, -0.0000168100000000 ] - [ -0.0000441400000000, -0.0012310500000000, 0.0005516700000000 ] - [ -0.0009705200000000, 0.0015929000000000, -0.0028890500000000 ] - [ -0.0000878400000000, 0.0001342400000000, 0.0000747300000000 ] - [ 0.0003465300000000, 0.0000211900000000, -0.0008271300000000 ] - [ -0.0002325500000000, -0.0000364800000000, -0.0002017900000000 ] - [ -0.0006235900000000, -0.0012514200000000, 0.0012642800000000 ] - [ -0.0006467000000000, -0.0004076900000000, 0.0000547600000000 ] - [ 0.0079414700000000, -0.0008846400000000, -0.0017806400000000 ] - [ 0.0000622200000000, 0.0005560200000000, -0.0002820500000000 ] - [ 0.0000848600000000, 0.0001338400000000, -0.0003786400000000 ] - [ 0.0000048500000000, -0.0005437600000000, -0.0011359000000000 ] - [ -0.0001719200000000, 0.0029478300000000, -0.0037481300000000 ] - [ -0.0002170700000000, 0.0004780200000000, -0.0002887600000000 ] - [ -0.0003328600000000, 0.0003541900000000, 0.0000453400000000 ] - [ -0.0008922600000000, 0.0002729600000000, 0.0003251300000000 ] - [ -0.0011432400000000, 0.0001697700000000, -0.0010799800000000 ] - [ -0.0006816000000000, 0.0007091500000000, -0.0001796700000000 ] - [ 0.0007579400000000, -0.0003078300000000, 0.0000069000000000 ] - [ 0.0009498500000000, -0.0006123100000000, -0.0009183000000000 ] - [ 0.0016870800000000, -0.0002380600000000, -0.0018756700000000 ] - [ 0.0002784100000000, 0.0002362300000000, -0.0001104500000000 ]- atom: 75 displacement: [ 0.0099999786541794, 0.0000000000000000, -0.0000206619446251 ] forces: - [ -0.0009175400000000, -0.0003468700000000, -0.0001070800000000 ] - [ -0.0002330600000000, -0.0000916000000000, -0.0001092400000000 ] - [ -0.0023902600000000, -0.0027509800000000, -0.0045658600000000 ] - [ 0.0001089400000000, 0.0008627500000000, 0.0000009200000000 ] - [ 0.0031626500000000, -0.0001966100000000, 0.0015183800000000 ] - [ 0.0002709400000000, 0.0013512600000000, 0.0001470500000000 ] - [ -0.0023059800000000, -0.0045515700000000, 0.0075202200000000 ] - [ -0.0002413500000000, 0.0001864500000000, 0.0000109100000000 ] - [ -0.0024168800000000, 0.0021797800000000, -0.0072925300000000 ] - [ 0.0001522100000000, 0.0009738400000000, -0.0001439300000000 ] - [ -0.0010166100000000, -0.0010171100000000, -0.0016941500000000 ] - [ -0.0001681500000000, 0.0011308100000000, -0.0002289000000000 ] - [ 0.0036260800000000, -0.0024375200000000, -0.0011614000000000 ] - [ 0.0003216300000000, 0.0001496400000000, -0.0005990700000000 ] - [ -0.0013672500000000, 0.0020441400000000, -0.0016873500000000 ] - [ -0.0002603200000000, 0.0004592200000000, -0.0002689000000000 ] - [ 0.0001913900000000, -0.0016443800000000, 0.0011189100000000 ] - [ -0.0002531600000000, 0.0016162700000000, -0.0001242900000000 ] - [ 0.0011848400000000, 0.0010697900000000, 0.0018944900000000 ] - [ -0.0002890200000000, 0.0002356400000000, 0.0001102000000000 ] - [ -0.0003938200000000, 0.0007692600000000, -0.0007951500000000 ] - [ -0.0003543800000000, 0.0001392600000000, -0.0006028200000000 ] - [ -0.0069076400000000, 0.0003407700000000, 0.0079807100000000 ] - [ -0.0001145000000000, 0.0000167200000000, 0.0004673300000000 ] - [ -0.0028098100000000, 0.0002075400000000, -0.0062938600000000 ] - [ 0.0001090500000000, 0.0011532300000000, 0.0000221100000000 ] - [ 0.0000391600000000, -0.0001903800000000, 0.0007000500000000 ] - [ 0.0003656400000000, 0.0007573100000000, 0.0001334000000000 ] - [ -0.0003031000000000, 0.0019792700000000, 0.0008061500000000 ] - [ 0.0002308100000000, -0.0000945200000000, 0.0000567900000000 ] - [ 0.0005411000000000, -0.0013525600000000, 0.0001645800000000 ] - [ -0.0000670900000000, 0.0003919800000000, -0.0000310500000000 ] - [ -0.0000940800000000, 0.0001877700000000, -0.0003825300000000 ] - [ 0.0000697400000000, 0.0001694700000000, -0.0001201700000000 ] - [ -0.0018567000000000, -0.0028493200000000, -0.0014653000000000 ] - [ -0.0003051500000000, 0.0002837100000000, 0.0000369300000000 ] - [ -0.0010863900000000, 0.0007885000000000, 0.0024069400000000 ] - [ 0.0003021200000000, -0.0000276800000000, 0.0002840800000000 ] - [ -0.0128743900000000, -0.0021156400000000, 0.0079609700000000 ] - [ 0.0004384500000000, 0.0003989000000000, 0.0002327100000000 ] - [ 0.0677467800000000, -0.0223649400000000, 0.0647096200000000 ] - [ 0.0000867300000000, 0.0006122600000000, 0.0000995400000000 ] - [ 0.0767533900000000, -0.0374543000000000, 0.0118782300000000 ] - [ 0.0001378200000000, 0.0009025800000000, 0.0000778700000000 ] - [ -0.0074469000000000, -0.0005581600000000, 0.0004022100000000 ] - [ -0.0000775600000000, -0.0002437700000000, 0.0000839200000000 ] - [ 0.0012059500000000, -0.0001180900000000, -0.0005139500000000 ] - [ -0.0000809900000000, 0.0000705600000000, -0.0001739200000000 ] - [ 0.0004636600000000, 0.0007643400000000, 0.0003906900000000 ] - [ 0.0004350100000000, -0.0000831000000000, 0.0010678600000000 ] - [ -0.0007214700000000, 0.0006667600000000, -0.0018190200000000 ] - [ -0.0002884900000000, 0.0005188700000000, 0.0001384600000000 ] - [ -0.0016899200000000, -0.0005330300000000, -0.0010580000000000 ] - [ -0.0002307400000000, 0.0003923800000000, -0.0001930200000000 ] - [ 0.0006593200000000, 0.0008393600000000, 0.0005383800000000 ] - [ 0.0010070600000000, 0.0003460500000000, -0.0004786200000000 ] - [ -0.0013366400000000, 0.0000954000000000, 0.0002333400000000 ] - [ -0.0005711600000000, -0.0007397700000000, 0.0000112900000000 ] - [ -0.0008436700000000, 0.0001974600000000, 0.0009309000000000 ] - [ 0.0000534900000000, -0.0006671300000000, 0.0003042400000000 ] - [ 0.0010767800000000, -0.0000014100000000, 0.0000511700000000 ] - [ 0.0006667400000000, 0.0001919200000000, 0.0000148100000000 ] - [ 0.0035538000000000, 0.0014992700000000, 0.0004796700000000 ] - [ -0.0000960100000000, 0.0001479400000000, -0.0003174700000000 ] - [ 0.0042471900000000, -0.0015992000000000, -0.0002318500000000 ] - [ 0.0002964800000000, -0.0008584200000000, -0.0001398300000000 ] - [ 0.0002545400000000, 0.0001812300000000, 0.0009164500000000 ] - [ 0.0001715300000000, 0.0001195200000000, 0.0005895500000000 ] - [ -0.0002111600000000, -0.0186035300000000, 0.0235796700000000 ] - [ 0.0002683700000000, -0.0002338900000000, 0.0001052800000000 ] - [ 0.0005253900000000, -0.0005004700000000, 0.0003723800000000 ] - [ 0.0001431100000000, 0.0006413100000000, 0.0002302900000000 ] - [ -0.0001007800000000, -0.0010392900000000, -0.0005862800000000 ] - [ 0.0001429600000000, -0.0003371200000000, -0.0002532500000000 ] - [ -0.1662360100000000, 0.1226276800000000, -0.1347102000000000 ] - [ 0.0006024700000000, 0.0003274000000000, -0.0000071800000000 ] - [ 0.0015604800000000, -0.0030858600000000, 0.0024920700000000 ] - [ 0.0003007500000000, 0.0001425100000000, 0.0000389800000000 ] - [ 0.0006355900000000, -0.0001536000000000, 0.0010780500000000 ] - [ -0.0001948600000000, 0.0000473700000000, 0.0001409300000000 ] - [ 0.0005292500000000, -0.0024750100000000, -0.0051373000000000 ] - [ -0.0001761100000000, -0.0005991700000000, -0.0002527700000000 ] - [ -0.0009347700000000, 0.0001235100000000, -0.0005469700000000 ] - [ -0.0004606500000000, -0.0011438700000000, 0.0001573900000000 ] - [ 0.0007502300000000, 0.0000734100000000, 0.0005461900000000 ] - [ -0.0001378300000000, -0.0005835300000000, 0.0001304400000000 ] - [ 0.0122972200000000, -0.0266802300000000, -0.0094705800000000 ] - [ -0.0002054300000000, 0.0000068300000000, -0.0001461100000000 ] - [ 0.0001924100000000, -0.0003089500000000, -0.0000637900000000 ] - [ 0.0002130000000000, -0.0005597900000000, -0.0001611300000000 ] - [ 0.0002135300000000, 0.0008856200000000, -0.0004907700000000 ] - [ 0.0002150300000000, -0.0001450200000000, -0.0003432900000000 ] - [ -0.0001681300000000, 0.0000137700000000, 0.0001453300000000 ] - [ -0.0000243100000000, -0.0014245000000000, 0.0002654600000000 ] - [ -0.0023969900000000, -0.0003469500000000, 0.0015192600000000 ] - [ -0.0004307800000000, 0.0000827000000000, 0.0001304900000000 ] - [ 0.0088457400000000, 0.0031200600000000, -0.0006584000000000 ] - [ 0.0003029000000000, -0.0005753300000000, -0.0002901100000000 ] - [ -0.0077615700000000, 0.0030673900000000, 0.0166775100000000 ] - [ -0.0000430800000000, -0.0001657600000000, -0.0002651400000000 ] - [ 0.0000273800000000, 0.0031149400000000, 0.0007067800000000 ] - [ 0.0000419200000000, -0.0001818200000000, 0.0003133800000000 ] - [ 0.0419487000000000, -0.0092217800000000, 0.0156038800000000 ] - [ -0.0002521000000000, -0.0003028300000000, 0.0000480600000000 ] - [ 0.0019503500000000, 0.0002927700000000, 0.0002614800000000 ] - [ 0.0000594300000000, -0.0004599300000000, 0.0001904000000000 ] - [ 0.0016296700000000, 0.0005460100000000, 0.0041329200000000 ] - [ 0.0002013500000000, -0.0009911600000000, 0.0001606900000000 ] - [ 0.0012764900000000, 0.0021779000000000, 0.0022009200000000 ] - [ -0.0003892500000000, -0.0000454700000000, -0.0000136100000000 ] - [ -0.0016308700000000, -0.0002388600000000, -0.0011855800000000 ] - [ -0.0002203000000000, -0.0005283600000000, -0.0001909400000000 ] - [ 0.0030689000000000, -0.0005933200000000, -0.0021975200000000 ] - [ -0.0000423800000000, -0.0005545200000000, 0.0002708200000000 ] - [ -0.0002313600000000, 0.0006851200000000, -0.0000009600000000 ] - [ -0.0000966400000000, -0.0011999600000000, 0.0002567200000000 ] - [ 0.0004614500000000, 0.0001802400000000, 0.0011491500000000 ] - [ 0.0001013300000000, -0.0001669500000000, 0.0007726300000000 ] - [ -0.0009149700000000, 0.0001065400000000, -0.0000448900000000 ] - [ -0.0002098300000000, -0.0005267800000000, 0.0000769900000000 ] - [ -0.0004754200000000, -0.0005400800000000, 0.0008280700000000 ] - [ -0.0004499600000000, -0.0009310200000000, 0.0002518300000000 ] - [ -0.0008387300000000, 0.0006027300000000, -0.0024842300000000 ] - [ -0.0002166400000000, -0.0000057400000000, -0.0006457800000000 ] - [ -0.0002099500000000, 0.0003901900000000, -0.0006612400000000 ] - [ -0.0000620500000000, -0.0006633700000000, -0.0002847900000000 ] - [ -0.0097533400000000, -0.0038949100000000, 0.0044159700000000 ] - [ -0.0001136700000000, 0.0000874800000000, 0.0001054500000000 ] - [ 0.0004243900000000, -0.0002535800000000, -0.0000306600000000 ] - [ -0.0000386400000000, -0.0000231200000000, 0.0000840000000000 ] - [ -0.0002506100000000, 0.0011349300000000, 0.0002334200000000 ] - [ -0.0002506500000000, -0.0001075100000000, 0.0004059400000000 ] - [ 0.0003049400000000, -0.0012228600000000, -0.0010764900000000 ] - [ 0.0002263700000000, -0.0009781100000000, -0.0004621100000000 ] - [ -0.0009413300000000, -0.0002247000000000, -0.0011055800000000 ] - [ 0.0000892400000000, -0.0001608800000000, -0.0002043800000000 ]- atom: 75 displacement: [ -0.0099999786541794, 0.0000000000000000, 0.0000206619446251 ] forces: - [ 0.0013858000000000, -0.0003122700000000, 0.0002168300000000 ] - [ 0.0007070900000000, -0.0005569400000000, 0.0002152800000000 ] - [ 0.0028482700000000, 0.0033796600000000, 0.0046312600000000 ] - [ 0.0003628600000000, -0.0002052100000000, 0.0001027100000000 ] - [ -0.0036281500000000, 0.0008279000000000, -0.0016078900000000 ] - [ -0.0007382400000000, -0.0006861400000000, -0.0002489300000000 ] - [ 0.0018280200000000, 0.0038968000000000, -0.0076814400000000 ] - [ -0.0002315800000000, -0.0008368100000000, -0.0001146900000000 ] - [ 0.0027919900000000, -0.0012253400000000, 0.0069249700000000 ] - [ 0.0002006700000000, -0.0000862300000000, -0.0000898400000000 ] - [ 0.0006564500000000, 0.0018791000000000, 0.0019070600000000 ] - [ -0.0001834400000000, -0.0002401500000000, 0.0004589000000000 ] - [ -0.0030404000000000, 0.0019249300000000, 0.0006473200000000 ] - [ 0.0002445700000000, -0.0006535900000000, 0.0000728900000000 ] - [ 0.0012903300000000, -0.0006759200000000, 0.0017610800000000 ] - [ 0.0001967900000000, 0.0008870700000000, 0.0003603800000000 ] - [ -0.0003790100000000, 0.0025230600000000, -0.0013264400000000 ] - [ 0.0000558500000000, -0.0007249200000000, -0.0000898200000000 ] - [ -0.0019616000000000, -0.0012815100000000, -0.0021222300000000 ] - [ -0.0005113700000000, -0.0004491700000000, -0.0003294900000000 ] - [ 0.0001409200000000, -0.0005492200000000, 0.0006007200000000 ] - [ 0.0001007400000000, 0.0000786300000000, 0.0004067200000000 ] - [ 0.0063576600000000, -0.0008249600000000, -0.0074530200000000 ] - [ -0.0004514300000000, -0.0005215600000000, 0.0000578800000000 ] - [ 0.0029060500000000, 0.0011603800000000, 0.0060638100000000 ] - [ -0.0000478900000000, 0.0002017100000000, -0.0001141200000000 ] - [ 0.0005424200000000, 0.0007003900000000, -0.0012174800000000 ] - [ 0.0002044400000000, -0.0002475000000000, -0.0006568900000000 ] - [ 0.0006503900000000, -0.0029046100000000, -0.0010474800000000 ] - [ 0.0001225100000000, -0.0007840400000000, -0.0002918100000000 ] - [ -0.0004827500000000, 0.0000116900000000, -0.0002595600000000 ] - [ 0.0001187600000000, -0.0017469100000000, -0.0000586100000000 ] - [ 0.0008926300000000, -0.0004021900000000, 0.0006038900000000 ] - [ 0.0007280400000000, -0.0003821100000000, 0.0003384700000000 ] - [ 0.0015131400000000, 0.0019869700000000, 0.0017269200000000 ] - [ -0.0000471800000000, -0.0011648200000000, 0.0001976400000000 ] - [ 0.0012854000000000, -0.0016731200000000, -0.0021937500000000 ] - [ -0.0001048300000000, -0.0008575500000000, -0.0000706700000000 ] - [ 0.0136202200000000, 0.0023263800000000, -0.0076738600000000 ] - [ 0.0003636800000000, -0.0001811100000000, -0.0000121700000000 ] - [ -0.0669061400000000, 0.0227045300000000, -0.0646330900000000 ] - [ 0.0001675500000000, -0.0003937000000000, 0.0000929900000000 ] - [ -0.0741106300000000, 0.0348234500000000, -0.0097760000000000 ] - [ 0.0000588400000000, -0.0000117300000000, 0.0001361300000000 ] - [ 0.0073953800000000, -0.0008063900000000, -0.0002956400000000 ] - [ 0.0000197400000000, -0.0011036000000000, 0.0000096000000000 ] - [ -0.0013984600000000, -0.0007758100000000, 0.0003002800000000 ] - [ -0.0001157400000000, -0.0009540100000000, -0.0000402300000000 ] - [ -0.0002108200000000, -0.0009863300000000, -0.0002018700000000 ] - [ -0.0001807200000000, -0.0001279400000000, -0.0008821800000000 ] - [ 0.0001389500000000, -0.0001577900000000, 0.0023554300000000 ] - [ -0.0002811100000000, -0.0000091400000000, 0.0003854600000000 ] - [ 0.0014342700000000, 0.0003114300000000, 0.0008809900000000 ] - [ -0.0000234300000000, -0.0006042600000000, 0.0000012400000000 ] - [ -0.0014616300000000, -0.0006129600000000, -0.0007486200000000 ] - [ -0.0018113000000000, -0.0001252500000000, 0.0002564500000000 ] - [ 0.0007234500000000, -0.0007788600000000, 0.0002161800000000 ] - [ -0.0000408800000000, 0.0000588900000000, 0.0004351600000000 ] - [ 0.0009886600000000, -0.0008875100000000, -0.0008598100000000 ] - [ 0.0000954700000000, -0.0000313600000000, -0.0002303900000000 ] - [ -0.0004492800000000, 0.0006751200000000, -0.0004992900000000 ] - [ -0.0000465600000000, 0.0004852500000000, -0.0004651600000000 ] - [ -0.0038920300000000, -0.0003163500000000, -0.0009541700000000 ] - [ -0.0002123200000000, 0.0010427400000000, -0.0001482800000000 ] - [ -0.0036111000000000, 0.0006121300000000, 0.0001855800000000 ] - [ 0.0003601100000000, -0.0001674500000000, 0.0000777700000000 ] - [ -0.0001266800000000, 0.0004643000000000, -0.0000898800000000 ] - [ -0.0000414700000000, 0.0005204400000000, 0.0002429300000000 ] - [ 0.0010322300000000, 0.0188557300000000, -0.0234758800000000 ] - [ 0.0002401500000000, 0.0005350500000000, -0.0000454800000000 ] - [ -0.0002112000000000, 0.0017073000000000, 0.0000866400000000 ] - [ 0.0001652600000000, 0.0005457800000000, 0.0002363300000000 ] - [ 0.0006110800000000, 0.0007449400000000, 0.0006567600000000 ] - [ 0.0003646000000000, 0.0000285700000000, 0.0003143500000000 ] - [ 0.1632642500000000, -0.1176615900000000, 0.1323014200000000 ] - [ 0.0005110100000000, 0.0009028200000000, -0.0001813300000000 ] - [ -0.0009046500000000, 0.0040648200000000, -0.0025285000000000 ] - [ 0.0003564300000000, 0.0008786100000000, -0.0001012300000000 ] - [ -0.0011385300000000, 0.0004577100000000, -0.0011260000000000 ] - [ -0.0003124300000000, 0.0002554900000000, -0.0002007400000000 ] - [ -0.0006851200000000, 0.0017768300000000, 0.0050525700000000 ] - [ 0.0000252500000000, -0.0000990500000000, 0.0001806300000000 ] - [ 0.0012959300000000, -0.0002663400000000, 0.0003042200000000 ] - [ 0.0008274600000000, 0.0010007200000000, -0.0003964200000000 ] - [ -0.0012567200000000, -0.0003744000000000, -0.0006198900000000 ] - [ -0.0003688800000000, 0.0002759700000000, -0.0001910300000000 ] - [ -0.0126541200000000, 0.0269622100000000, 0.0094566700000000 ] - [ -0.0000659000000000, 0.0005368100000000, 0.0001519700000000 ] - [ 0.0000725400000000, -0.0002344400000000, 0.0000599300000000 ] - [ 0.0000572300000000, 0.0000111600000000, 0.0001538100000000 ] - [ -0.0000681800000000, -0.0001868400000000, 0.0005593700000000 ] - [ -0.0000672000000000, 0.0008391700000000, 0.0004148800000000 ] - [ -0.0001381200000000, -0.0011995400000000, -0.0006078600000000 ] - [ -0.0002819800000000, 0.0002208200000000, -0.0007254200000000 ] - [ 0.0017442900000000, 0.0010274400000000, -0.0010382200000000 ] - [ -0.0001869400000000, 0.0005926600000000, 0.0003187200000000 ] - [ -0.0081906600000000, -0.0037647400000000, 0.0002024100000000 ] - [ 0.0003156100000000, -0.0001045600000000, -0.0001611700000000 ] - [ 0.0078626700000000, -0.0026642500000000, -0.0168571700000000 ] - [ -0.0000112600000000, 0.0005168000000000, -0.0001415600000000 ] - [ 0.0002442800000000, -0.0025486500000000, -0.0007108100000000 ] - [ 0.0002293100000000, 0.0007266000000000, -0.0003197300000000 ] - [ -0.0415753900000000, 0.0088400300000000, -0.0149162000000000 ] - [ -0.0001149700000000, 0.0001614500000000, 0.0001893900000000 ] - [ -0.0018933000000000, -0.0006399500000000, 0.0001289100000000 ] - [ -0.0000043600000000, 0.0001033600000000, 0.0002154900000000 ] - [ -0.0013180200000000, -0.0017402100000000, -0.0036081600000000 ] - [ 0.0001086700000000, -0.0002063100000000, 0.0003050400000000 ] - [ -0.0019157300000000, -0.0011349800000000, -0.0020922300000000 ] - [ -0.0002672900000000, 0.0010621700000000, 0.0000759500000000 ] - [ 0.0014959800000000, -0.0004046400000000, 0.0003478200000000 ] - [ 0.0000933200000000, -0.0001174000000000, -0.0006373200000000 ] - [ -0.0029534900000000, -0.0000727000000000, 0.0030085800000000 ] - [ 0.0001701900000000, -0.0000900400000000, 0.0005587000000000 ] - [ -0.0004234300000000, -0.0017189800000000, 0.0000624400000000 ] - [ -0.0005575000000000, 0.0001775400000000, -0.0001949000000000 ] - [ -0.0004029000000000, 0.0001727200000000, -0.0007326500000000 ] - [ -0.0000455500000000, 0.0005199300000000, -0.0003617100000000 ] - [ 0.0006474400000000, -0.0006560800000000, 0.0000591000000000 ] - [ -0.0000605700000000, -0.0000210900000000, -0.0000696000000000 ] - [ -0.0006382900000000, -0.0006868000000000, -0.0006452800000000 ] - [ -0.0006618500000000, -0.0003036700000000, -0.0000609800000000 ] - [ 0.0006969400000000, 0.0000407000000000, 0.0016474800000000 ] - [ 0.0000870700000000, 0.0006459800000000, -0.0001861200000000 ] - [ 0.0001557700000000, -0.0007518700000000, 0.0002582900000000 ] - [ 0.0000089900000000, 0.0003101800000000, -0.0001231200000000 ] - [ 0.0095258800000000, 0.0046935900000000, -0.0046324200000000 ] - [ -0.0000352300000000, 0.0006065400000000, -0.0001771000000000 ] - [ -0.0007892200000000, 0.0003909000000000, 0.0002688800000000 ] - [ -0.0003264600000000, 0.0001624300000000, 0.0001531000000000 ] - [ -0.0008625300000000, 0.0000989900000000, -0.0000417700000000 ] - [ -0.0008628300000000, 0.0013371400000000, -0.0002146800000000 ] - [ 0.0008080700000000, -0.0000091800000000, 0.0008883200000000 ] - [ 0.0008858700000000, -0.0002532400000000, 0.0002746700000000 ] - [ 0.0012998600000000, 0.0003667600000000, 0.0008773600000000 ] - [ 0.0002772200000000, 0.0002984900000000, -0.0000336800000000 ]- atom: 75 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0009087200000000, -0.0001594400000000, 0.0000419100000000 ] - [ 0.0004611000000000, -0.0015631800000000, 0.0002972300000000 ] - [ 0.0007587600000000, 0.0039946000000000, 0.0020608400000000 ] - [ 0.0005543800000000, -0.0012933000000000, 0.0000757800000000 ] - [ -0.0031478900000000, -0.0012073000000000, -0.0034784000000000 ] - [ -0.0009001300000000, -0.0022676000000000, 0.0000846200000000 ] - [ -0.0052359600000000, 0.0045612200000000, 0.0021035500000000 ] - [ -0.0000413000000000, -0.0019394700000000, -0.0001521800000000 ] - [ 0.0012424900000000, -0.0022220100000000, 0.0154928400000000 ] - [ 0.0003268500000000, -0.0014665300000000, -0.0000672300000000 ] - [ 0.0006536300000000, 0.0031383100000000, 0.0011227600000000 ] - [ -0.0003907300000000, -0.0018096300000000, 0.0003624500000000 ] - [ -0.0021990100000000, -0.0011896200000000, -0.0055205000000000 ] - [ 0.0008748500000000, -0.0017253600000000, 0.0005187000000000 ] - [ 0.0021260200000000, -0.0020054100000000, 0.0022226600000000 ] - [ 0.0007788200000000, 0.0005203700000000, 0.0001589800000000 ] - [ -0.0023657300000000, -0.0005433200000000, 0.0005273700000000 ] - [ 0.0006295400000000, -0.0015855000000000, 0.0000341100000000 ] - [ -0.0009645000000000, 0.0026449700000000, 0.0019696600000000 ] - [ -0.0007313300000000, -0.0012357800000000, -0.0006197800000000 ] - [ 0.0005826200000000, -0.0000871100000000, 0.0008163400000000 ] - [ -0.0004319000000000, -0.0013251400000000, -0.0002265100000000 ] - [ 0.0109278400000000, 0.0040007900000000, -0.0087428900000000 ] - [ -0.0008309900000000, -0.0014206800000000, -0.0002095800000000 ] - [ -0.0003518700000000, 0.0065726900000000, 0.0020881800000000 ] - [ -0.0002709800000000, -0.0009347900000000, -0.0002878500000000 ] - [ -0.0012131800000000, 0.0005955700000000, 0.0003827300000000 ] - [ -0.0000582000000000, -0.0010623400000000, -0.0009953400000000 ] - [ 0.0014310900000000, 0.0008778700000000, -0.0006924700000000 ] - [ -0.0001041700000000, -0.0024023500000000, -0.0004024700000000 ] - [ -0.0014928800000000, -0.0014344300000000, -0.0003084500000000 ] - [ 0.0013948100000000, -0.0018035700000000, -0.0002939300000000 ] - [ 0.0011176400000000, -0.0014284100000000, 0.0020702000000000 ] - [ 0.0010446000000000, -0.0010193300000000, 0.0003447100000000 ] - [ -0.0002814400000000, 0.0010352100000000, -0.0005886500000000 ] - [ 0.0000696100000000, -0.0024493700000000, 0.0002711000000000 ] - [ 0.0009280300000000, -0.0030148100000000, -0.0009117000000000 ] - [ -0.0000485200000000, -0.0015881500000000, 0.0000307300000000 ] - [ 0.0044254600000000, 0.0035752600000000, 0.0006760600000000 ] - [ 0.0001315800000000, -0.0009933100000000, -0.0003455200000000 ] - [ -0.0222895800000000, 0.0611646600000000, -0.0489694800000000 ] - [ 0.0003587000000000, -0.0016221300000000, 0.0001778600000000 ] - [ -0.0339373200000000, 0.0797732400000000, -0.0136052300000000 ] - [ 0.0001281100000000, -0.0012267700000000, 0.0001658700000000 ] - [ 0.0024015400000000, 0.0027423500000000, -0.0001568000000000 ] - [ -0.0002316700000000, -0.0022199300000000, -0.0001874200000000 ] - [ 0.0001789400000000, 0.0026539800000000, -0.0009931800000000 ] - [ -0.0001042200000000, -0.0020659200000000, 0.0001099600000000 ] - [ 0.0002222100000000, -0.0006223500000000, -0.0000266000000000 ] - [ -0.0004502400000000, -0.0015860700000000, -0.0005628200000000 ] - [ -0.0011495200000000, -0.0035708700000000, 0.0085702200000000 ] - [ 0.0001257600000000, -0.0009141700000000, 0.0006528600000000 ] - [ 0.0005463900000000, 0.0029560300000000, 0.0000258200000000 ] - [ 0.0001365600000000, -0.0017302300000000, 0.0000834600000000 ] - [ -0.0001748400000000, -0.0031435400000000, -0.0000401500000000 ] - [ -0.0007270700000000, -0.0016691000000000, 0.0005896600000000 ] - [ 0.0005111400000000, 0.0008266700000000, 0.0000803000000000 ] - [ -0.0014080300000000, 0.0009739900000000, 0.0002730800000000 ] - [ 0.0004557500000000, -0.0021819300000000, 0.0023641200000000 ] - [ 0.0000087400000000, 0.0006889700000000, -0.0007049100000000 ] - [ -0.0010084000000000, 0.0011637700000000, -0.0005029800000000 ] - [ -0.0007482500000000, 0.0011802700000000, -0.0008253500000000 ] - [ 0.0004010500000000, -0.0012389900000000, -0.0000359200000000 ] - [ -0.0002588300000000, 0.0019567400000000, 0.0000379500000000 ] - [ -0.0014444400000000, -0.0029035800000000, -0.0002438400000000 ] - [ 0.0005591700000000, 0.0011449400000000, 0.0003738700000000 ] - [ -0.0019020200000000, 0.0031813900000000, -0.0029419600000000 ] - [ -0.0003354600000000, 0.0011737000000000, 0.0000900900000000 ] - [ -0.0183547700000000, 0.0294231400000000, -0.0463103600000000 ] - [ 0.0000610000000000, 0.0014946700000000, -0.0002457800000000 ] - [ -0.0006151600000000, 0.0005405300000000, 0.0007433000000000 ] - [ 0.0004954800000000, 0.0017049600000000, 0.0000765600000000 ] - [ 0.0002096600000000, -0.0003472700000000, 0.0000114300000000 ] - [ 0.0005934600000000, 0.0011471200000000, 0.0005448300000000 ] - [ 0.1187599900000000, -0.2104470700000000, 0.1197667200000000 ] - [ 0.0002688000000000, 0.0016450300000000, -0.0004437000000000 ] - [ -0.0010623400000000, 0.0063381400000000, -0.0044680600000000 ] - [ 0.0002629900000000, 0.0018622900000000, -0.0001209200000000 ] - [ -0.0009388400000000, -0.0005377300000000, -0.0008706700000000 ] - [ -0.0000598300000000, 0.0013153400000000, 0.0001694500000000 ] - [ -0.0014030400000000, 0.0016242200000000, 0.0055861800000000 ] - [ 0.0001301600000000, 0.0004817500000000, 0.0003702600000000 ] - [ 0.0011264200000000, 0.0009681100000000, -0.0000733700000000 ] - [ 0.0001054300000000, 0.0015302700000000, -0.0004411500000000 ] - [ -0.0003914400000000, -0.0019543900000000, 0.0006027500000000 ] - [ -0.0005337500000000, 0.0011366000000000, -0.0004033300000000 ] - [ -0.0341893200000000, 0.0313101400000000, 0.0152860200000000 ] - [ -0.0000209000000000, 0.0013364400000000, 0.0003984200000000 ] - [ 0.0008221300000000, -0.0011045300000000, -0.0005705700000000 ] - [ 0.0000618500000000, 0.0006490200000000, 0.0003819800000000 ] - [ 0.0009373300000000, -0.0000015500000000, -0.0005755500000000 ] - [ -0.0001242800000000, 0.0014095600000000, 0.0007183200000000 ] - [ -0.0001028000000000, -0.0015480600000000, 0.0000872600000000 ] - [ -0.0003071100000000, 0.0014095000000000, -0.0010046100000000 ] - [ 0.0005794800000000, -0.0018037000000000, -0.0012086600000000 ] - [ 0.0000795400000000, 0.0011779700000000, 0.0004592200000000 ] - [ -0.0029908100000000, -0.0031299800000000, -0.0009288700000000 ] - [ 0.0006015500000000, 0.0004853300000000, -0.0000047100000000 ] - [ 0.0027210700000000, -0.0129290800000000, 0.0110485900000000 ] - [ -0.0000037300000000, 0.0013012700000000, -0.0000194100000000 ] - [ 0.0025472200000000, 0.0011701400000000, 0.0014151300000000 ] - [ -0.0000217000000000, 0.0013246800000000, -0.0005466800000000 ] - [ -0.0111450800000000, -0.0068812700000000, -0.0025828100000000 ] - [ 0.0000595300000000, 0.0007242800000000, 0.0003477600000000 ] - [ -0.0010808700000000, -0.0022336800000000, 0.0002260000000000 ] - [ 0.0000236300000000, 0.0008211700000000, 0.0003375900000000 ] - [ -0.0000674200000000, -0.0057611100000000, -0.0061879200000000 ] - [ 0.0000540800000000, 0.0007627300000000, 0.0005210200000000 ] - [ -0.0008299700000000, -0.0025860800000000, -0.0008919400000000 ] - [ -0.0000695400000000, 0.0023687200000000, 0.0003639200000000 ] - [ 0.0006330100000000, 0.0016175800000000, 0.0007502900000000 ] - [ -0.0004288400000000, 0.0008442000000000, -0.0011616800000000 ] - [ -0.0044253100000000, -0.0040751600000000, -0.0003083600000000 ] - [ 0.0004845100000000, 0.0005680200000000, 0.0008936300000000 ] - [ 0.0000779400000000, -0.0012579400000000, 0.0003306700000000 ] - [ -0.0008321300000000, 0.0009886200000000, -0.0003269700000000 ] - [ -0.0001626600000000, 0.0008294300000000, -0.0006200100000000 ] - [ -0.0002302700000000, 0.0006046000000000, -0.0001865600000000 ] - [ 0.0019212500000000, 0.0004084400000000, -0.0025957300000000 ] - [ -0.0001709800000000, 0.0005226000000000, -0.0002648400000000 ] - [ -0.0004819200000000, -0.0025506600000000, 0.0004114200000000 ] - [ -0.0008705900000000, 0.0003820800000000, -0.0003227400000000 ] - [ 0.0013077500000000, -0.0009838800000000, -0.0023019700000000 ] - [ 0.0003452000000000, 0.0012660000000000, 0.0001258900000000 ] - [ 0.0005642500000000, 0.0003894100000000, -0.0001088700000000 ] - [ -0.0002858300000000, 0.0004101800000000, 0.0000073900000000 ] - [ -0.0043005600000000, 0.0252375400000000, -0.0383831000000000 ] - [ -0.0000933000000000, 0.0012851000000000, -0.0005175000000000 ] - [ -0.0009177600000000, 0.0009893100000000, -0.0004413300000000 ] - [ -0.0005435200000000, 0.0004835200000000, 0.0001187000000000 ] - [ 0.0001657300000000, 0.0014638300000000, 0.0001760000000000 ] - [ -0.0010721500000000, 0.0014641600000000, -0.0004275300000000 ] - [ 0.0011624600000000, 0.0007664500000000, 0.0008039100000000 ] - [ 0.0009185200000000, -0.0000846300000000, 0.0000527700000000 ] - [ 0.0004315400000000, -0.0018247200000000, -0.0010640900000000 ] - [ 0.0004436700000000, 0.0008335700000000, 0.0000883800000000 ]- atom: 75 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004370200000000, -0.0004907700000000, 0.0000630700000000 ] - [ 0.0000086700000000, 0.0009133300000000, -0.0001948500000000 ] - [ -0.0002995600000000, -0.0033467200000000, -0.0019779300000000 ] - [ -0.0000829700000000, 0.0019534100000000, 0.0000282700000000 ] - [ 0.0027053200000000, 0.0018367400000000, 0.0034056900000000 ] - [ 0.0004287800000000, 0.0029308400000000, -0.0001888600000000 ] - [ 0.0048033300000000, -0.0052643700000000, -0.0022074900000000 ] - [ -0.0004329200000000, 0.0012924900000000, 0.0000478600000000 ] - [ -0.0009142400000000, 0.0031717500000000, -0.0158031600000000 ] - [ 0.0000262500000000, 0.0023573200000000, -0.0001642900000000 ] - [ -0.0010189100000000, -0.0022975400000000, -0.0009090400000000 ] - [ 0.0000386700000000, 0.0027039900000000, -0.0001295600000000 ] - [ 0.0027681600000000, 0.0006893400000000, 0.0049819100000000 ] - [ -0.0003097900000000, 0.0012249100000000, -0.0010458200000000 ] - [ -0.0021928700000000, 0.0033682400000000, -0.0021368400000000 ] - [ -0.0008498900000000, 0.0008190200000000, -0.0000654800000000 ] - [ 0.0021686900000000, 0.0014280200000000, -0.0007326100000000 ] - [ -0.0008302900000000, 0.0024827800000000, -0.0002502200000000 ] - [ 0.0001973000000000, -0.0028533800000000, -0.0021915000000000 ] - [ -0.0000675200000000, 0.0010240600000000, 0.0004015700000000 ] - [ -0.0008468600000000, 0.0002964300000000, -0.0010204000000000 ] - [ 0.0001767800000000, 0.0015464100000000, 0.0000315000000000 ] - [ -0.0115448000000000, -0.0045595600000000, 0.0093282600000000 ] - [ 0.0002642600000000, 0.0009176900000000, 0.0007358500000000 ] - [ 0.0003985900000000, -0.0051516400000000, -0.0023556600000000 ] - [ 0.0003325400000000, 0.0022913300000000, 0.0001957200000000 ] - [ 0.0017983600000000, -0.0000778800000000, -0.0008976400000000 ] - [ 0.0006288500000000, 0.0015758000000000, 0.0004736800000000 ] - [ -0.0010784200000000, -0.0017543300000000, 0.0004608700000000 ] - [ 0.0004582100000000, 0.0015245700000000, 0.0001702400000000 ] - [ 0.0015645500000000, 0.0000830300000000, 0.0002203700000000 ] - [ -0.0013354000000000, 0.0004606100000000, 0.0002003200000000 ] - [ -0.0003258500000000, 0.0012225600000000, -0.0018683500000000 ] - [ -0.0002447200000000, 0.0008068600000000, -0.0001274100000000 ] - [ -0.0000770900000000, -0.0019422900000000, 0.0008264600000000 ] - [ -0.0004231800000000, 0.0015728600000000, -0.0000378300000000 ] - [ -0.0007357800000000, 0.0021493900000000, 0.0011284500000000 ] - [ 0.0002465700000000, 0.0007076000000000, 0.0001841200000000 ] - [ -0.0036483700000000, -0.0033685100000000, -0.0004706700000000 ] - [ 0.0006691300000000, 0.0012140300000000, 0.0005675800000000 ] - [ 0.0226307600000000, -0.0615742400000000, 0.0493250500000000 ] - [ -0.0001043400000000, 0.0018441500000000, 0.0000154100000000 ] - [ 0.0378617400000000, -0.0817253900000000, 0.0161220100000000 ] - [ 0.0000686300000000, 0.0021204900000000, 0.0000475900000000 ] - [ -0.0024866900000000, -0.0041016200000000, 0.0002529800000000 ] - [ 0.0001725100000000, 0.0008748500000000, 0.0002815600000000 ] - [ -0.0003671700000000, -0.0035471200000000, 0.0007798400000000 ] - [ -0.0000927000000000, 0.0011862900000000, -0.0003249700000000 ] - [ 0.0000352800000000, 0.0004143300000000, 0.0002195800000000 ] - [ 0.0007100700000000, 0.0013759500000000, 0.0007613500000000 ] - [ 0.0005827800000000, 0.0041027000000000, -0.0080743200000000 ] - [ -0.0006951300000000, 0.0014253400000000, -0.0001308000000000 ] - [ -0.0008160700000000, -0.0031790200000000, -0.0002232200000000 ] - [ -0.0003926400000000, 0.0015201400000000, -0.0002776400000000 ] - [ -0.0006241100000000, 0.0033619100000000, -0.0001687300000000 ] - [ -0.0000690500000000, 0.0018957900000000, -0.0008104800000000 ] - [ -0.0011341100000000, -0.0015067300000000, 0.0003658400000000 ] - [ 0.0007921000000000, -0.0016534500000000, 0.0001729000000000 ] - [ -0.0003105100000000, 0.0014841800000000, -0.0022929900000000 ] - [ 0.0001431600000000, -0.0013896100000000, 0.0007794200000000 ] - [ 0.0016253300000000, -0.0004905200000000, 0.0000572400000000 ] - [ 0.0013760000000000, -0.0005078100000000, 0.0003819500000000 ] - [ -0.0007029200000000, 0.0024475300000000, -0.0004306900000000 ] - [ -0.0000498300000000, -0.0007683600000000, -0.0005036100000000 ] - [ 0.0021123200000000, 0.0018820000000000, 0.0001846500000000 ] - [ 0.0000965800000000, -0.0021723700000000, -0.0004368000000000 ] - [ 0.0020512600000000, -0.0025644400000000, 0.0038011400000000 ] - [ 0.0004661700000000, -0.0005345200000000, 0.0007419100000000 ] - [ 0.0186069700000000, -0.0288432300000000, 0.0458241800000000 ] - [ 0.0004477400000000, -0.0011937400000000, 0.0003072500000000 ] - [ 0.0009271100000000, 0.0006504600000000, -0.0002776500000000 ] - [ -0.0001883000000000, -0.0005136700000000, 0.0003876500000000 ] - [ 0.0002965000000000, 0.0000374300000000, 0.0000483300000000 ] - [ -0.0000864800000000, -0.0014562400000000, -0.0004865500000000 ] - [ -0.1220411400000000, 0.2156216600000000, -0.1225276600000000 ] - [ 0.0008455000000000, -0.0004160600000000, 0.0002563500000000 ] - [ 0.0017249900000000, -0.0053299300000000, 0.0044098700000000 ] - [ 0.0003941200000000, -0.0008405900000000, 0.0000600900000000 ] - [ 0.0004389600000000, 0.0008587900000000, 0.0008247400000000 ] - [ -0.0004494600000000, -0.0010161200000000, -0.0002306900000000 ] - [ 0.0012549200000000, -0.0023325600000000, -0.0057197900000000 ] - [ -0.0002812000000000, -0.0011819900000000, -0.0004440200000000 ] - [ -0.0007616100000000, -0.0011101800000000, -0.0001714100000000 ] - [ 0.0002590000000000, -0.0016739000000000, 0.0002004600000000 ] - [ -0.0001072500000000, 0.0016603200000000, -0.0006662100000000 ] - [ 0.0000260100000000, -0.0014462500000000, 0.0003434900000000 ] - [ 0.0345921600000000, -0.0313680000000000, -0.0155420200000000 ] - [ -0.0002499900000000, -0.0007947900000000, -0.0003932300000000 ] - [ -0.0005580700000000, 0.0005600100000000, 0.0005659000000000 ] - [ 0.0002099700000000, -0.0011970500000000, -0.0003897800000000 ] - [ -0.0007889900000000, 0.0006950200000000, 0.0006404600000000 ] - [ 0.0002752000000000, -0.0007169000000000, -0.0006487400000000 ] - [ -0.0002017000000000, 0.0003780100000000, -0.0005513000000000 ] - [ -0.0000023100000000, -0.0026120000000000, 0.0005417500000000 ] - [ -0.0012443200000000, 0.0024694000000000, 0.0017038600000000 ] - [ -0.0006968200000000, -0.0005047400000000, -0.0000118700000000 ] - [ 0.0036380900000000, 0.0024690900000000, 0.0004851000000000 ] - [ 0.0000137300000000, -0.0011651800000000, -0.0004452200000000 ] - [ -0.0027655400000000, 0.0133712300000000, -0.0110922900000000 ] - [ -0.0000499900000000, -0.0009507500000000, -0.0003879900000000 ] - [ -0.0022564900000000, -0.0006059400000000, -0.0014104000000000 ] - [ 0.0002943600000000, -0.0007835700000000, 0.0005419700000000 ] - [ 0.0107960200000000, 0.0068387700000000, 0.0027924500000000 ] - [ -0.0004260200000000, -0.0008650200000000, -0.0001085100000000 ] - [ 0.0011449000000000, 0.0018865200000000, 0.0001798300000000 ] - [ 0.0000306200000000, -0.0011802800000000, 0.0000697400000000 ] - [ 0.0003909300000000, 0.0045342200000000, 0.0066729900000000 ] - [ 0.0002568300000000, -0.0019645600000000, -0.0000557500000000 ] - [ 0.0001957100000000, 0.0036359800000000, 0.0010028700000000 ] - [ -0.0005887600000000, -0.0013546000000000, -0.0003050900000000 ] - [ -0.0007649200000000, -0.0022392400000000, -0.0015752600000000 ] - [ 0.0003012900000000, -0.0014915600000000, 0.0003342400000000 ] - [ 0.0045901500000000, 0.0034653100000000, 0.0011467700000000 ] - [ -0.0003569800000000, -0.0012140700000000, -0.0000658600000000 ] - [ -0.0007372400000000, 0.0002500000000000, -0.0002742300000000 ] - [ 0.0001769600000000, -0.0020179000000000, 0.0003895100000000 ] - [ 0.0002184300000000, -0.0004784800000000, 0.0010317400000000 ] - [ 0.0002873700000000, -0.0002461000000000, 0.0005983500000000 ] - [ -0.0022171300000000, -0.0009585000000000, 0.0026292600000000 ] - [ -0.0001004700000000, -0.0010723200000000, 0.0002733800000000 ] - [ -0.0006301500000000, 0.0013256900000000, -0.0002191500000000 ] - [ -0.0002421000000000, -0.0016188200000000, 0.0005133700000000 ] - [ -0.0014557500000000, 0.0016159000000000, 0.0014712300000000 ] - [ -0.0004753000000000, -0.0006276400000000, -0.0009586000000000 ] - [ -0.0006234600000000, -0.0007442100000000, -0.0003011700000000 ] - [ 0.0002315500000000, -0.0007698100000000, -0.0004138400000000 ] - [ 0.0042769800000000, -0.0249543400000000, 0.0389866800000000 ] - [ -0.0000566900000000, -0.0005923800000000, 0.0004475800000000 ] - [ 0.0005565500000000, -0.0008567400000000, 0.0006876300000000 ] - [ 0.0001762500000000, -0.0003469000000000, 0.0001215100000000 ] - [ -0.0012793900000000, -0.0002321200000000, 0.0000114100000000 ] - [ -0.0000359900000000, -0.0002332000000000, 0.0006236600000000 ] - [ -0.0000546600000000, -0.0020074900000000, -0.0009984700000000 ] - [ 0.0001930600000000, -0.0011522900000000, -0.0002435200000000 ] - [ -0.0000821300000000, 0.0019679000000000, 0.0008277100000000 ] - [ -0.0000781600000000, -0.0006986300000000, -0.0003294000000000 ]- atom: 75 displacement: [ -0.0045139598196510, 0.0000000000000000, 0.0089232374588249 ] forces: - [ -0.0001218700000000, -0.0003990800000000, 0.0004487200000000 ] - [ 0.0003817400000000, 0.0001084800000000, -0.0001483300000000 ] - [ -0.0027224500000000, 0.0000240900000000, -0.0027552000000000 ] - [ 0.0001017500000000, 0.0006373900000000, 0.0000274000000000 ] - [ -0.0002934400000000, -0.0037326000000000, 0.0007671200000000 ] - [ 0.0003352500000000, 0.0015951900000000, 0.0003972200000000 ] - [ 0.0110099100000000, 0.0023403200000000, -0.0094126600000000 ] - [ -0.0002706400000000, -0.0000403800000000, -0.0000620800000000 ] - [ -0.0005716600000000, 0.0060937100000000, -0.0107771300000000 ] - [ 0.0002012200000000, 0.0004914700000000, -0.0000523600000000 ] - [ -0.0013504000000000, -0.0032715800000000, -0.0019273700000000 ] - [ -0.0001519500000000, 0.0011762600000000, -0.0003241700000000 ] - [ -0.0020710800000000, -0.0047304100000000, -0.0005450700000000 ] - [ -0.0001515900000000, 0.0002545400000000, -0.0002609200000000 ] - [ -0.0020531600000000, 0.0027028200000000, -0.0020720100000000 ] - [ -0.0014926200000000, -0.0004195700000000, 0.0001206500000000 ] - [ -0.0000358600000000, -0.0001378100000000, 0.0014845900000000 ] - [ -0.0000517700000000, 0.0002652300000000, -0.0000284200000000 ] - [ 0.0047629700000000, -0.0004272200000000, -0.0037312400000000 ] - [ -0.0002555000000000, 0.0001656800000000, -0.0000715900000000 ] - [ -0.0006418600000000, -0.0001851200000000, 0.0000478900000000 ] - [ -0.0002221700000000, 0.0003763100000000, -0.0006898200000000 ] - [ 0.0050077200000000, 0.0003842700000000, -0.0027859700000000 ] - [ -0.0001294700000000, -0.0000030500000000, 0.0004020900000000 ] - [ 0.0038152100000000, 0.0045492700000000, -0.0165127800000000 ] - [ 0.0002108000000000, 0.0010268000000000, 0.0000142900000000 ] - [ 0.0032349800000000, 0.0017238300000000, 0.0001365900000000 ] - [ 0.0004796100000000, 0.0004766800000000, -0.0003338000000000 ] - [ 0.0004692400000000, -0.0042230600000000, -0.0005708500000000 ] - [ 0.0003042900000000, 0.0002223000000000, -0.0000050400000000 ] - [ 0.0001889600000000, 0.0001653800000000, 0.0006866400000000 ] - [ -0.0003148800000000, -0.0009360600000000, 0.0002718000000000 ] - [ 0.0000776200000000, 0.0017137400000000, -0.0024993000000000 ] - [ -0.0001456700000000, 0.0002330600000000, -0.0002400200000000 ] - [ 0.0002006200000000, 0.0005206700000000, 0.0027405400000000 ] - [ -0.0002154400000000, -0.0001027400000000, 0.0001599700000000 ] - [ 0.0023899200000000, 0.0007797800000000, -0.0038363700000000 ] - [ 0.0001340400000000, -0.0002320800000000, -0.0000235300000000 ] - [ -0.0009988100000000, 0.0005526100000000, 0.0032798200000000 ] - [ 0.0004735500000000, 0.0003439200000000, 0.0001888900000000 ] - [ 0.0220247900000000, -0.0291162100000000, 0.1942624400000000 ] - [ 0.0001070000000000, 0.0004093300000000, 0.0001791300000000 ] - [ -0.0218887100000000, 0.0025899000000000, 0.0392067700000000 ] - [ 0.0000471300000000, 0.0007525600000000, 0.0001773300000000 ] - [ 0.0019077900000000, -0.0014857400000000, 0.0018817900000000 ] - [ 0.0001058800000000, -0.0003112300000000, 0.0001271100000000 ] - [ -0.0000144900000000, -0.0013528300000000, -0.0030229800000000 ] - [ -0.0001079400000000, -0.0000392000000000, -0.0001623400000000 ] - [ 0.0002377000000000, -0.0007405300000000, -0.0004930800000000 ] - [ 0.0003724800000000, 0.0009165800000000, -0.0005673700000000 ] - [ 0.0002947000000000, 0.0046306900000000, -0.0106737700000000 ] - [ -0.0004148400000000, 0.0004027600000000, 0.0001349000000000 ] - [ -0.0010489000000000, -0.0004784300000000, -0.0004944500000000 ] - [ -0.0001995000000000, 0.0002651400000000, -0.0001215700000000 ] - [ -0.0004288700000000, -0.0001510600000000, 0.0028762600000000 ] - [ -0.0012998600000000, 0.0007939500000000, 0.0006770300000000 ] - [ 0.0002019300000000, -0.0009220000000000, -0.0005017500000000 ] - [ -0.0002500400000000, -0.0003582200000000, -0.0005877000000000 ] - [ 0.0011785500000000, 0.0010579700000000, 0.0016000800000000 ] - [ 0.0001532800000000, -0.0006143300000000, 0.0001480700000000 ] - [ 0.0015019000000000, -0.0001428300000000, 0.0000746100000000 ] - [ 0.0016260300000000, -0.0003759900000000, 0.0003434500000000 ] - [ -0.0026203600000000, 0.0000378300000000, -0.0019363500000000 ] - [ -0.0001561600000000, 0.0003246200000000, -0.0003014200000000 ] - [ -0.0023000500000000, 0.0021616800000000, 0.0001474900000000 ] - [ 0.0002350200000000, -0.0010117700000000, -0.0001509500000000 ] - [ 0.0028867400000000, -0.0035409200000000, 0.0050671700000000 ] - [ 0.0002811600000000, 0.0001228800000000, 0.0006838100000000 ] - [ 0.0145471200000000, -0.0232253500000000, 0.0160358500000000 ] - [ 0.0002888800000000, -0.0000074900000000, -0.0000163000000000 ] - [ 0.0004143500000000, 0.0016376700000000, -0.0005865800000000 ] - [ 0.0000496900000000, 0.0000882500000000, 0.0001699500000000 ] - [ 0.0000662600000000, 0.0008618600000000, 0.0009551200000000 ] - [ 0.0001345800000000, -0.0007876100000000, -0.0000259000000000 ] - [ -0.0421900900000000, 0.0529045700000000, -0.3004231900000000 ] - [ 0.0006139700000000, 0.0004369700000000, -0.0001018400000000 ] - [ 0.0012881800000000, -0.0047355600000000, 0.0028326800000000 ] - [ 0.0006157900000000, 0.0008297900000000, -0.0000444400000000 ] - [ 0.0003963300000000, 0.0012621300000000, 0.0011652800000000 ] - [ -0.0002632600000000, -0.0000878000000000, 0.0001744200000000 ] - [ -0.0016919500000000, 0.0007253000000000, 0.0028145600000000 ] - [ -0.0001904500000000, -0.0005265600000000, -0.0000830500000000 ] - [ 0.0000306100000000, -0.0002803000000000, -0.0013297100000000 ] - [ 0.0005758100000000, 0.0004145700000000, -0.0006926800000000 ] - [ 0.0002447800000000, 0.0003033100000000, -0.0009742200000000 ] - [ -0.0001833800000000, -0.0004190300000000, -0.0000015600000000 ] - [ -0.0127729800000000, 0.0203005000000000, -0.0027199100000000 ] - [ -0.0001886100000000, 0.0000293100000000, -0.0001565900000000 ] - [ -0.0012257100000000, 0.0001108500000000, 0.0012445100000000 ] - [ 0.0000618800000000, -0.0005416500000000, -0.0000088300000000 ] - [ -0.0003925500000000, -0.0000069400000000, -0.0005870700000000 ] - [ -0.0000273800000000, 0.0002938900000000, 0.0000932200000000 ] - [ 0.0006331500000000, 0.0013053200000000, 0.0001303500000000 ] - [ 0.0000108200000000, -0.0017003700000000, 0.0003272700000000 ] - [ -0.0059538900000000, 0.0002021800000000, 0.0052390900000000 ] - [ -0.0004852300000000, 0.0001443700000000, 0.0002088600000000 ] - [ 0.0006994000000000, 0.0000835200000000, -0.0003539800000000 ] - [ 0.0001889800000000, -0.0005169100000000, -0.0002538900000000 ] - [ 0.0132438200000000, 0.0098073500000000, 0.0444578100000000 ] - [ -0.0000570900000000, -0.0000823700000000, -0.0002755500000000 ] - [ 0.0013869500000000, 0.0012936400000000, -0.0010506600000000 ] - [ 0.0003257000000000, 0.0002132900000000, -0.0001177800000000 ] - [ 0.0074745300000000, 0.0004011300000000, -0.0057639100000000 ] - [ -0.0002245700000000, -0.0002300500000000, 0.0000716000000000 ] - [ 0.0003053700000000, 0.0004909200000000, -0.0006827800000000 ] - [ 0.0000156100000000, -0.0004236500000000, 0.0001536200000000 ] - [ 0.0010121600000000, -0.0016864100000000, 0.0057603600000000 ] - [ 0.0001428700000000, -0.0007567400000000, 0.0002264300000000 ] - [ 0.0015098900000000, 0.0032722300000000, 0.0056115600000000 ] - [ -0.0004141300000000, -0.0000416400000000, 0.0000067500000000 ] - [ -0.0001154500000000, 0.0018790400000000, -0.0015854500000000 ] - [ 0.0002179000000000, -0.0007435500000000, -0.0006054500000000 ] - [ -0.0009487900000000, -0.0016647700000000, -0.0012246900000000 ] - [ -0.0000415700000000, -0.0005116600000000, 0.0003121300000000 ] - [ -0.0004207000000000, -0.0009192900000000, -0.0003679800000000 ] - [ -0.0002672400000000, -0.0006322200000000, -0.0000689700000000 ] - [ 0.0004701500000000, -0.0001815000000000, 0.0013031300000000 ] - [ 0.0003679200000000, 0.0004515900000000, 0.0002709400000000 ] - [ -0.0029197600000000, -0.0022258800000000, 0.0051909500000000 ] - [ -0.0001233000000000, -0.0004423200000000, 0.0001155900000000 ] - [ 0.0000652600000000, -0.0003721400000000, 0.0010052400000000 ] - [ -0.0004662100000000, -0.0008464800000000, 0.0001838100000000 ] - [ -0.0029797700000000, -0.0004580000000000, 0.0017555300000000 ] - [ -0.0001878200000000, 0.0001355300000000, -0.0004710200000000 ] - [ -0.0004501800000000, -0.0013374900000000, -0.0001103600000000 ] - [ -0.0000066800000000, -0.0000298600000000, -0.0002497700000000 ] - [ 0.0096004200000000, -0.0377462700000000, 0.0365734000000000 ] - [ -0.0000403200000000, 0.0001962500000000, 0.0000403700000000 ] - [ -0.0006375200000000, -0.0005598700000000, 0.0014516800000000 ] - [ 0.0000686200000000, -0.0000464400000000, 0.0001472700000000 ] - [ -0.0004199800000000, 0.0008502200000000, 0.0001398300000000 ] - [ -0.0005746700000000, 0.0008728000000000, 0.0000589600000000 ] - [ -0.0002017500000000, -0.0011418900000000, 0.0006819300000000 ] - [ 0.0003802200000000, -0.0005839100000000, 0.0003456100000000 ] - [ -0.0024269800000000, 0.0009075700000000, 0.0037251000000000 ] - [ 0.0000925100000000, -0.0001135700000000, -0.0001285000000000 ]- atom: 75 displacement: [ 0.0045139598196510, 0.0000000000000000, -0.0089232374588249 ] forces: - [ 0.0005997100000000, -0.0002551400000000, -0.0003481300000000 ] - [ 0.0000930300000000, -0.0007660000000000, 0.0002517800000000 ] - [ 0.0032189000000000, 0.0006516000000000, 0.0029041100000000 ] - [ 0.0003719600000000, 0.0000108900000000, 0.0000760700000000 ] - [ -0.0002134300000000, 0.0043896900000000, -0.0009115100000000 ] - [ -0.0008118400000000, -0.0009535200000000, -0.0005027700000000 ] - [ -0.0114992800000000, -0.0029749900000000, 0.0093256600000000 ] - [ -0.0002006700000000, -0.0006191200000000, -0.0000405200000000 ] - [ 0.0009392900000000, -0.0052234600000000, 0.0105903200000000 ] - [ 0.0001519900000000, 0.0003875400000000, -0.0001793100000000 ] - [ 0.0010094700000000, 0.0041942100000000, 0.0021834300000000 ] - [ -0.0002016000000000, -0.0003021200000000, 0.0005592100000000 ] - [ 0.0026198100000000, 0.0042215300000000, 0.0000303800000000 ] - [ 0.0007221500000000, -0.0007671700000000, -0.0002606900000000 ] - [ 0.0020048800000000, -0.0013689100000000, 0.0021829200000000 ] - [ 0.0014354200000000, 0.0017790500000000, -0.0000255700000000 ] - [ -0.0001600600000000, 0.0010354200000000, -0.0017153300000000 ] - [ -0.0001396500000000, 0.0006084800000000, -0.0001856000000000 ] - [ -0.0055820600000000, 0.0002092100000000, 0.0035137700000000 ] - [ -0.0005440700000000, -0.0003860500000000, -0.0001510200000000 ] - [ 0.0003926200000000, 0.0003994100000000, -0.0002308200000000 ] - [ -0.0000307000000000, -0.0001647600000000, 0.0005012200000000 ] - [ -0.0054926400000000, -0.0008871200000000, 0.0032238800000000 ] - [ -0.0004412200000000, -0.0005074500000000, 0.0001225700000000 ] - [ -0.0037802900000000, -0.0032322400000000, 0.0165209600000000 ] - [ -0.0001495300000000, 0.0003174000000000, -0.0001087800000000 ] - [ -0.0026843600000000, -0.0012286100000000, -0.0006788600000000 ] - [ 0.0000886500000000, 0.0000239700000000, -0.0001969300000000 ] - [ -0.0001155900000000, 0.0033426800000000, 0.0003417500000000 ] - [ 0.0000482400000000, -0.0011119300000000, -0.0002259700000000 ] - [ -0.0001364300000000, -0.0015147900000000, -0.0007765700000000 ] - [ 0.0003796500000000, -0.0004188900000000, -0.0003658500000000 ] - [ 0.0007285700000000, -0.0019350400000000, 0.0027290500000000 ] - [ 0.0009483100000000, -0.0004540600000000, 0.0004643800000000 ] - [ -0.0005485300000000, -0.0013927500000000, -0.0025136300000000 ] - [ -0.0001364700000000, -0.0007877300000000, 0.0000727000000000 ] - [ -0.0021825200000000, -0.0016791800000000, 0.0040324400000000 ] - [ 0.0000612400000000, -0.0006586400000000, 0.0002389800000000 ] - [ 0.0019036500000000, -0.0003158300000000, -0.0031060700000000 ] - [ 0.0003233200000000, -0.0001320700000000, 0.0000309800000000 ] - [ -0.0262180800000000, 0.0322178900000000, -0.2024983300000000 ] - [ 0.0001481800000000, -0.0002018600000000, 0.0000147800000000 ] - [ 0.0218879400000000, -0.0012247100000000, -0.0388468300000000 ] - [ 0.0001491700000000, 0.0001269200000000, 0.0000390800000000 ] - [ -0.0019338200000000, 0.0001423300000000, -0.0017952400000000 ] - [ -0.0001687100000000, -0.0010444700000000, -0.0000334800000000 ] - [ -0.0001991700000000, 0.0004701300000000, 0.0028096700000000 ] - [ -0.0000884000000000, -0.0008521900000000, -0.0000519700000000 ] - [ 0.0000141800000000, 0.0005212800000000, 0.0006887800000000 ] - [ -0.0001217000000000, -0.0011325100000000, 0.0007540800000000 ] - [ -0.0008564600000000, -0.0041836700000000, 0.0112829100000000 ] - [ -0.0001535900000000, 0.0001005500000000, 0.0003940600000000 ] - [ 0.0008095700000000, 0.0002722900000000, 0.0002979000000000 ] - [ -0.0000536500000000, -0.0004859900000000, -0.0000710800000000 ] - [ -0.0003748600000000, 0.0003663000000000, -0.0031100600000000 ] - [ 0.0004960000000000, -0.0005866400000000, -0.0008912500000000 ] - [ -0.0008125800000000, 0.0002551100000000, 0.0009448200000000 ] - [ -0.0003685900000000, -0.0003120700000000, 0.0010358800000000 ] - [ -0.0010118200000000, -0.0017554600000000, -0.0015177600000000 ] - [ 0.0000010100000000, -0.0000819000000000, -0.0000731100000000 ] - [ -0.0008911700000000, 0.0008205000000000, -0.0005200500000000 ] - [ -0.0010138000000000, 0.0010499000000000, -0.0007881200000000 ] - [ 0.0022998400000000, 0.0011545800000000, 0.0014680800000000 ] - [ -0.0001521700000000, 0.0008743800000000, -0.0001587300000000 ] - [ 0.0029404300000000, -0.0031881500000000, -0.0002199200000000 ] - [ 0.0004212800000000, -0.0000074100000000, 0.0000875500000000 ] - [ -0.0027494000000000, 0.0041911400000000, -0.0042454500000000 ] - [ -0.0001443300000000, 0.0005224000000000, 0.0001407100000000 ] - [ -0.0142233900000000, 0.0238043700000000, -0.0161073800000000 ] - [ 0.0002154600000000, 0.0003159500000000, 0.0000765700000000 ] - [ -0.0001084900000000, -0.0004408400000000, 0.0010500000000000 ] - [ 0.0002610300000000, 0.0011109400000000, 0.0002921600000000 ] - [ 0.0004398500000000, -0.0011635700000000, -0.0008960700000000 ] - [ 0.0003710500000000, 0.0004851000000000, 0.0000902400000000 ] - [ 0.0486616900000000, -0.0546581300000000, 0.3090546000000000 ] - [ 0.0004908000000000, 0.0007979500000000, -0.0000863900000000 ] - [ -0.0006413100000000, 0.0058030700000000, -0.0029234500000000 ] - [ 0.0000411100000000, 0.0001956000000000, -0.0000175100000000 ] - [ -0.0009109400000000, -0.0009648000000000, -0.0012429100000000 ] - [ -0.0002409700000000, 0.0003957100000000, -0.0002368500000000 ] - [ 0.0015274700000000, -0.0014030200000000, -0.0028344700000000 ] - [ 0.0000384100000000, -0.0001707800000000, 0.0000076800000000 ] - [ 0.0003370300000000, 0.0001468700000000, 0.0010904300000000 ] - [ -0.0002133700000000, -0.0005364900000000, 0.0004435600000000 ] - [ -0.0007586500000000, -0.0006141000000000, 0.0009185800000000 ] - [ -0.0003221900000000, 0.0001186800000000, -0.0000609100000000 ] - [ 0.0123619900000000, -0.0197705000000000, 0.0028928200000000 ] - [ -0.0000869300000000, 0.0005127400000000, 0.0001611900000000 ] - [ 0.0015113200000000, -0.0006475100000000, -0.0012459600000000 ] - [ 0.0002135500000000, 0.0000060300000000, 0.0000092300000000 ] - [ 0.0005476600000000, 0.0007093600000000, 0.0006770800000000 ] - [ 0.0001788700000000, 0.0004115500000000, -0.0000107200000000 ] - [ -0.0009436000000000, -0.0025202600000000, -0.0005945600000000 ] - [ -0.0003204500000000, 0.0005155200000000, -0.0007946700000000 ] - [ 0.0053567300000000, 0.0004743000000000, -0.0048119000000000 ] - [ -0.0001328200000000, 0.0005315700000000, 0.0002367600000000 ] - [ -0.0001392500000000, -0.0007824400000000, -0.0000897300000000 ] - [ 0.0004325800000000, -0.0001547400000000, -0.0001908700000000 ] - [ -0.0136963500000000, -0.0096878500000000, -0.0455310200000000 ] - [ -0.0000001800000000, 0.0004364800000000, -0.0001275300000000 ] - [ -0.0011083300000000, -0.0007729500000000, 0.0010439400000000 ] - [ -0.0000497800000000, 0.0003311900000000, 0.0001114700000000 ] - [ -0.0080965500000000, -0.0005273400000000, 0.0059118500000000 ] - [ -0.0001346900000000, 0.0000997200000000, 0.0001771000000000 ] - [ -0.0002596800000000, -0.0008475100000000, 0.0010946000000000 ] - [ 0.0000420800000000, 0.0000756700000000, 0.0002526800000000 ] - [ -0.0007186100000000, 0.0004993700000000, -0.0053321000000000 ] - [ 0.0001659900000000, -0.0004360400000000, 0.0002380600000000 ] - [ -0.0021916900000000, -0.0022778600000000, -0.0056133700000000 ] - [ -0.0002409300000000, 0.0010730900000000, 0.0000588400000000 ] - [ -0.0000194200000000, -0.0025227100000000, 0.0007636400000000 ] - [ -0.0003579100000000, 0.0001055600000000, -0.0002253500000000 ] - [ 0.0010459800000000, 0.0010124700000000, 0.0020702300000000 ] - [ 0.0001822300000000, -0.0001279200000000, 0.0005165600000000 ] - [ -0.0002333700000000, -0.0001105400000000, 0.0004351100000000 ] - [ -0.0003902200000000, -0.0003866400000000, 0.0001328700000000 ] - [ -0.0004163300000000, 0.0005324900000000, -0.0009076900000000 ] - [ -0.0003121400000000, -0.0001011000000000, 0.0001289600000000 ] - [ 0.0026595300000000, 0.0016893300000000, -0.0051967100000000 ] - [ -0.0001519900000000, -0.0000937700000000, -0.0001147300000000 ] - [ -0.0011711800000000, -0.0008643500000000, -0.0008171800000000 ] - [ -0.0006407000000000, -0.0003818600000000, 0.0000036100000000 ] - [ 0.0028633800000000, 0.0011142300000000, -0.0025868700000000 ] - [ 0.0000504500000000, 0.0005104000000000, -0.0003525800000000 ] - [ 0.0003963000000000, 0.0009824500000000, -0.0002946900000000 ] - [ -0.0000512500000000, -0.0003173900000000, -0.0001550700000000 ] - [ -0.0095716900000000, 0.0380459800000000, -0.0365206000000000 ] - [ -0.0001136200000000, 0.0005062700000000, -0.0001190500000000 ] - [ 0.0002695100000000, 0.0006976000000000, -0.0012029400000000 ] - [ -0.0004319600000000, 0.0001825800000000, 0.0000996000000000 ] - [ -0.0006874800000000, 0.0003788300000000, 0.0000494900000000 ] - [ -0.0005355100000000, 0.0003633000000000, 0.0001235000000000 ] - [ 0.0013113900000000, -0.0000821200000000, -0.0008618000000000 ] - [ 0.0007282400000000, -0.0006439100000000, -0.0005338900000000 ] - [ 0.0028071500000000, -0.0007750100000000, -0.0039679800000000 ] - [ 0.0002699000000000, 0.0002496000000000, -0.0001170100000000 ]- atom: 83 displacement: [ 0.0099999786541794, 0.0000000000000000, -0.0000206619446251 ] forces: - [ -0.0084051300000000, -0.0027664400000000, 0.0005527800000000 ] - [ 0.0002058200000000, 0.0000955500000000, 0.0000198500000000 ] - [ -0.0012767900000000, 0.0024145900000000, -0.0025417300000000 ] - [ 0.0002704600000000, 0.0003023100000000, -0.0000419700000000 ] - [ -0.0000618600000000, 0.0005308000000000, -0.0000414400000000 ] - [ 0.0116121400000000, -0.0022660700000000, -0.0014285600000000 ] - [ -0.0001587000000000, -0.0006627100000000, 0.0004830300000000 ] - [ -0.0004425800000000, 0.0015134100000000, 0.0011825200000000 ] - [ 0.0004323700000000, -0.0015596700000000, -0.0032516800000000 ] - [ 0.0001066900000000, 0.0009820500000000, -0.0004054600000000 ] - [ -0.0001783600000000, 0.0008681700000000, 0.0000106700000000 ] - [ -0.0012159000000000, -0.0002500200000000, -0.0048816300000000 ] - [ 0.0265475500000000, -0.0107320000000000, -0.0023523200000000 ] - [ 0.0003140600000000, -0.0000028200000000, -0.0004029100000000 ] - [ -0.0023408100000000, -0.0000602900000000, -0.0059227200000000 ] - [ -0.0001309100000000, 0.0010181800000000, -0.0000706600000000 ] - [ 0.0834478200000000, -0.0281364800000000, 0.0204248200000000 ] - [ -0.0000425800000000, 0.0007666600000000, -0.0000368600000000 ] - [ -0.0000660400000000, 0.0013622100000000, 0.0029933800000000 ] - [ -0.0003132100000000, 0.0000660000000000, 0.0001660600000000 ] - [ -0.0000760600000000, 0.0005248000000000, -0.0000840200000000 ] - [ -0.0018325700000000, -0.0065103300000000, -0.0187940000000000 ] - [ 0.0003864500000000, 0.0004870800000000, 0.0004994600000000 ] - [ 0.0006458100000000, -0.0035501400000000, 0.0001278300000000 ] - [ 0.0007142600000000, 0.0001169200000000, -0.0008648200000000 ] - [ -0.0004939100000000, 0.0007116500000000, -0.0012843500000000 ] - [ 0.0026502300000000, 0.0089267700000000, 0.0156634400000000 ] - [ 0.0003414500000000, 0.0004747000000000, -0.0000633000000000 ] - [ -0.0015713500000000, -0.0040950900000000, 0.0014292800000000 ] - [ 0.0002438300000000, 0.0001843200000000, -0.0000247800000000 ] - [ -0.0000239100000000, -0.0002909600000000, -0.0001077400000000 ] - [ -0.0240873300000000, -0.0039238200000000, 0.0084844600000000 ] - [ 0.0002983000000000, 0.0001723600000000, -0.0000038700000000 ] - [ -0.0000402400000000, -0.0005874900000000, 0.0007645400000000 ] - [ -0.0003656600000000, -0.0000127400000000, -0.0001662200000000 ] - [ -0.0017808700000000, 0.0036359600000000, -0.0007746600000000 ] - [ 0.0000846400000000, -0.0000189500000000, 0.0002595300000000 ] - [ 0.0007440500000000, -0.0004719300000000, 0.0034192300000000 ] - [ 0.0003674300000000, 0.0014452900000000, 0.0001393500000000 ] - [ 0.0002925400000000, -0.0008699400000000, -0.0002101000000000 ] - [ 0.0019060500000000, -0.0028332400000000, 0.0008297400000000 ] - [ 0.0002906800000000, 0.0009547600000000, 0.0004433100000000 ] - [ 0.0016751700000000, 0.0004826300000000, 0.0006064600000000 ] - [ 0.0018454800000000, 0.0008124000000000, -0.0007373500000000 ] - [ -0.0024030600000000, -0.0012778000000000, -0.0011741400000000 ] - [ -0.0008362500000000, 0.0004349700000000, 0.0002871000000000 ] - [ -0.0011704100000000, 0.0014822900000000, 0.0033051600000000 ] - [ -0.0000772800000000, -0.0000138800000000, -0.0001527300000000 ] - [ -0.0005072000000000, -0.0020401300000000, 0.0054222000000000 ] - [ 0.0002067800000000, 0.0002935900000000, 0.0001915200000000 ] - [ -0.0003202000000000, 0.0005202500000000, 0.0002539500000000 ] - [ 0.0012143900000000, -0.0001649800000000, 0.0018751400000000 ] - [ -0.0006333800000000, 0.0006673900000000, -0.0004163500000000 ] - [ -0.0005917300000000, 0.0008544100000000, -0.0003867300000000 ] - [ 0.2058369500000000, 0.0043549600000000, -0.0968014900000000 ] - [ -0.0003872500000000, 0.0003480100000000, -0.0001911800000000 ] - [ -0.0002722000000000, -0.0005012900000000, 0.0002595400000000 ] - [ 0.0727829300000000, -0.0215685400000000, -0.0142991900000000 ] - [ -0.0036769200000000, 0.0014937900000000, -0.0008170900000000 ] - [ 0.0000123100000000, -0.0005702400000000, 0.0002205100000000 ] - [ 0.0008999400000000, 0.0009693500000000, 0.0006484700000000 ] - [ 0.0004157500000000, 0.0001354400000000, -0.0001499000000000 ] - [ 0.0002850400000000, 0.0005360100000000, -0.0000066100000000 ] - [ 0.0004558000000000, -0.0011084500000000, -0.0006744800000000 ] - [ 0.0012893300000000, 0.0021821600000000, 0.0004653000000000 ] - [ 0.0004046800000000, -0.0011982400000000, -0.0002062800000000 ] - [ 0.0001362900000000, 0.0001176800000000, 0.0004990700000000 ] - [ -0.0008577200000000, 0.0009596300000000, -0.0001193200000000 ] - [ 0.0004924400000000, 0.0044195500000000, 0.0018695900000000 ] - [ 0.0003594600000000, -0.0004221800000000, 0.0001865500000000 ] - [ 0.0063873300000000, 0.0056433900000000, -0.0010714500000000 ] - [ 0.0001374200000000, 0.0002134100000000, 0.0003101800000000 ] - [ 0.0012871100000000, 0.0012626200000000, -0.0011376800000000 ] - [ 0.0001710500000000, -0.0005104800000000, -0.0001136100000000 ] - [ -0.0005672500000000, 0.0015625800000000, -0.0008337800000000 ] - [ -0.0000884500000000, 0.0005340300000000, 0.0000211100000000 ] - [ 0.0020025600000000, 0.0013004600000000, 0.0034985300000000 ] - [ 0.0003977000000000, 0.0000901400000000, 0.0001150600000000 ] - [ -0.0002568700000000, -0.0001670700000000, -0.0000215700000000 ] - [ 0.0019579100000000, 0.0058239300000000, 0.0056083800000000 ] - [ -0.0001984100000000, -0.0006982600000000, -0.0003025900000000 ] - [ -0.0010860400000000, 0.0021499500000000, -0.0022570900000000 ] - [ -0.4537643900000000, 0.0696992200000000, 0.0848445300000000 ] - [ 0.0001595800000000, -0.0002241500000000, -0.0000985600000000 ] - [ -0.0000654600000000, -0.0006514400000000, 0.0002293500000000 ] - [ 0.0003734400000000, -0.0014957800000000, 0.0010689200000000 ] - [ -0.0006604500000000, 0.0001296400000000, -0.0000967800000000 ] - [ -0.0032354100000000, 0.0019534400000000, 0.0002775800000000 ] - [ 0.0035803700000000, -0.0021873500000000, -0.0066927200000000 ] - [ 0.0001635000000000, -0.0004989500000000, -0.0001090300000000 ] - [ 0.0353762600000000, -0.0274484800000000, -0.0188453100000000 ] - [ 0.0000770900000000, 0.0001563600000000, -0.0001212400000000 ] - [ -0.0001521600000000, -0.0008879200000000, -0.0000958600000000 ] - [ 0.0017784700000000, -0.0006584600000000, 0.0036358000000000 ] - [ -0.0013282000000000, -0.0002501500000000, -0.0004072300000000 ] - [ -0.0002192100000000, 0.0001947200000000, 0.0001692300000000 ] - [ 0.0014896000000000, -0.0011438800000000, -0.0000361800000000 ] - [ 0.0009287400000000, -0.0002461700000000, -0.0002700900000000 ] - [ -0.0004443700000000, 0.0013242300000000, 0.0005691900000000 ] - [ -0.0001507300000000, -0.0009144000000000, 0.0001155500000000 ] - [ -0.0021338900000000, -0.0183414400000000, 0.0243610800000000 ] - [ 0.0000669400000000, 0.0001261900000000, 0.0000802000000000 ] - [ -0.0007906900000000, -0.0010236700000000, -0.0000268700000000 ] - [ -0.0007930100000000, 0.0000103600000000, 0.0001509100000000 ] - [ 0.0010696800000000, -0.0004963400000000, 0.0006078200000000 ] - [ 0.0002440100000000, -0.0006700100000000, 0.0001639600000000 ] - [ 0.0004006400000000, 0.0007969500000000, 0.0021572100000000 ] - [ 0.0003038200000000, -0.0008132800000000, 0.0004784600000000 ] - [ -0.0001361300000000, 0.0002814900000000, 0.0003730900000000 ] - [ 0.0001295500000000, 0.0016796000000000, 0.0012499600000000 ] - [ -0.0033416400000000, 0.0166778000000000, -0.0323813500000000 ] - [ -0.0000451500000000, -0.0005055700000000, -0.0003253500000000 ] - [ -0.0001805100000000, -0.0010272100000000, 0.0001236300000000 ] - [ 0.0000695500000000, 0.0004025700000000, 0.0006888300000000 ] - [ -0.0002482200000000, -0.0008984800000000, 0.0001771900000000 ] - [ 0.0073704400000000, -0.0037440600000000, 0.0024165000000000 ] - [ 0.0013090500000000, -0.0009562300000000, 0.0088389600000000 ] - [ 0.0000464800000000, -0.0000583700000000, 0.0002890100000000 ] - [ -0.0001651700000000, -0.0004713800000000, -0.0000174600000000 ] - [ -0.0005103700000000, -0.0000686400000000, -0.0012656600000000 ] - [ 0.0000579500000000, -0.0013508800000000, -0.0001099600000000 ] - [ -0.0004059300000000, -0.0009724200000000, 0.0004489500000000 ] - [ -0.0029823100000000, -0.0033619600000000, -0.0043928100000000 ] - [ -0.0002003600000000, 0.0001453200000000, -0.0005952800000000 ] - [ -0.0000306900000000, -0.0003909100000000, -0.0001907500000000 ] - [ 0.0039335100000000, 0.0004120800000000, -0.0077489600000000 ] - [ -0.0003248300000000, 0.0002801600000000, -0.0000980000000000 ] - [ -0.0012102600000000, -0.0001546600000000, -0.0008026700000000 ] - [ -0.0001082000000000, -0.0001249400000000, 0.0001551000000000 ] - [ -0.0000308400000000, 0.0008265300000000, -0.0011909500000000 ] - [ 0.0416020000000000, 0.0116406700000000, 0.0302027600000000 ] - [ -0.0006187200000000, 0.0003720400000000, 0.0000110300000000 ] - [ 0.0004560100000000, -0.0008733800000000, -0.0002438600000000 ] - [ -0.0005775400000000, -0.0008721000000000, -0.0035934800000000 ] - [ 0.0000395400000000, -0.0005263900000000, -0.0017153100000000 ] - [ 0.0001075000000000, -0.0001568100000000, -0.0003237500000000 ]- atom: 83 displacement: [ -0.0099999786541794, 0.0000000000000000, 0.0000206619446251 ] forces: - [ 0.0088612600000000, 0.0021152300000000, -0.0004279900000000 ] - [ 0.0002662700000000, -0.0007495000000000, 0.0000827100000000 ] - [ 0.0017576400000000, -0.0017625600000000, 0.0026507500000000 ] - [ 0.0002032000000000, 0.0003507200000000, 0.0001468300000000 ] - [ -0.0004093000000000, 0.0001216700000000, -0.0000612300000000 ] - [ -0.0121939700000000, 0.0030503500000000, 0.0011709300000000 ] - [ -0.0003163700000000, 0.0000114800000000, -0.0005851900000000 ] - [ -0.0000360800000000, -0.0021800100000000, -0.0012958000000000 ] - [ -0.0000933400000000, 0.0024404700000000, 0.0029965200000000 ] - [ 0.0002464300000000, -0.0000973600000000, 0.0001728400000000 ] - [ -0.0001758300000000, 0.0000140600000000, 0.0002181900000000 ] - [ 0.0008582900000000, 0.0011313100000000, 0.0050803800000000 ] - [ -0.0259707700000000, 0.0101979600000000, 0.0018788500000000 ] - [ 0.0002542600000000, -0.0005021400000000, -0.0001239700000000 ] - [ 0.0022580700000000, 0.0014086800000000, 0.0059924700000000 ] - [ 0.0000664900000000, 0.0003316200000000, 0.0001637400000000 ] - [ -0.0764124700000000, 0.0250280100000000, -0.0177302500000000 ] - [ -0.0001533700000000, 0.0001195300000000, -0.0001798500000000 ] - [ -0.0007301500000000, -0.0015728600000000, -0.0032121800000000 ] - [ -0.0004838100000000, -0.0002820300000000, -0.0003901900000000 ] - [ -0.0001783600000000, -0.0003107200000000, -0.0001094000000000 ] - [ 0.0016203100000000, 0.0067164900000000, 0.0185426600000000 ] - [ -0.0009515600000000, -0.0009915500000000, 0.0000270700000000 ] - [ -0.0011480000000000, 0.0030399200000000, 0.0003748300000000 ] - [ -0.0006459600000000, 0.0012291600000000, 0.0007649800000000 ] - [ 0.0005548200000000, 0.0006362900000000, 0.0011803900000000 ] - [ -0.0020228900000000, -0.0084017200000000, -0.0161183400000000 ] - [ 0.0002302000000000, 0.0000328700000000, -0.0004654100000000 ] - [ 0.0019115200000000, 0.0032354500000000, -0.0016857000000000 ] - [ 0.0001093500000000, -0.0010696700000000, -0.0002064900000000 ] - [ 0.0000861300000000, -0.0010583600000000, 0.0000139400000000 ] - [ 0.0242079500000000, 0.0026266300000000, -0.0086371500000000 ] - [ 0.0004991700000000, -0.0003877000000000, 0.0002248000000000 ] - [ 0.0008407500000000, 0.0003650200000000, -0.0005339600000000 ] - [ 0.0000114500000000, -0.0008674600000000, 0.0003966600000000 ] - [ 0.0014362300000000, -0.0045634900000000, 0.0010164200000000 ] - [ 0.0001126400000000, -0.0008657600000000, -0.0000440000000000 ] - [ -0.0005283700000000, -0.0004251000000000, -0.0032155400000000 ] - [ 0.0004377600000000, -0.0012260200000000, 0.0000743700000000 ] - [ 0.0005189600000000, 0.0010911800000000, 0.0004384600000000 ] - [ -0.0016444700000000, 0.0030234000000000, -0.0006338500000000 ] - [ -0.0000406200000000, -0.0007359000000000, -0.0002529800000000 ] - [ -0.0014752500000000, 0.0003968600000000, -0.0003882300000000 ] - [ -0.0016698500000000, 0.0001020800000000, 0.0009954700000000 ] - [ 0.0023432900000000, -0.0000628600000000, 0.0012658900000000 ] - [ 0.0007809400000000, -0.0017974100000000, -0.0001956400000000 ] - [ 0.0009681300000000, -0.0023564200000000, -0.0035006400000000 ] - [ -0.0001178200000000, -0.0008734900000000, -0.0000610200000000 ] - [ 0.0007452500000000, 0.0018452700000000, -0.0052634100000000 ] - [ 0.0000477600000000, -0.0005070900000000, 0.0000007000000000 ] - [ -0.0002492300000000, -0.0000142500000000, 0.0002759300000000 ] - [ -0.0017842300000000, 0.0006667700000000, -0.0013356400000000 ] - [ 0.0003768700000000, -0.0008738000000000, 0.0002277600000000 ] - [ 0.0003427400000000, -0.0010805700000000, 0.0001967000000000 ] - [ -0.2184293800000000, -0.0047035900000000, 0.1056171200000000 ] - [ -0.0004110100000000, -0.0001310800000000, -0.0000297800000000 ] - [ -0.0003444900000000, -0.0001716100000000, 0.0001838100000000 ] - [ -0.0747691100000000, 0.0214519400000000, 0.0151195600000000 ] - [ 0.0038304800000000, -0.0021947300000000, 0.0008842900000000 ] - [ 0.0001405200000000, -0.0001301200000000, -0.0001431000000000 ] - [ -0.0002790200000000, -0.0002938600000000, -0.0010951400000000 ] - [ 0.0002030800000000, 0.0005369900000000, -0.0002937800000000 ] - [ -0.0005933300000000, 0.0006572500000000, -0.0004547900000000 ] - [ -0.0007670300000000, 0.0023246000000000, 0.0002184400000000 ] - [ -0.0006321100000000, -0.0032218300000000, -0.0005285300000000 ] - [ 0.0002506800000000, 0.0001781100000000, 0.0001417800000000 ] - [ 0.0000032900000000, 0.0005250700000000, 0.0003261400000000 ] - [ 0.0009929400000000, -0.0003125800000000, 0.0009357500000000 ] - [ 0.0000317900000000, -0.0041011800000000, -0.0018017200000000 ] - [ 0.0001473100000000, 0.0007231800000000, -0.0001237100000000 ] - [ -0.0060926800000000, -0.0044861600000000, 0.0015536400000000 ] - [ 0.0001728600000000, 0.0009853400000000, 0.0001522600000000 ] - [ -0.0007713800000000, -0.0015748400000000, 0.0012112000000000 ] - [ 0.0003343100000000, 0.0002060800000000, 0.0001759600000000 ] - [ 0.0016723000000000, -0.0003238600000000, 0.0006409400000000 ] - [ 0.0012069300000000, 0.0006878400000000, -0.0002098100000000 ] - [ -0.0013233500000000, -0.0002791800000000, -0.0035503000000000 ] - [ 0.0002578100000000, 0.0009333000000000, -0.0001799400000000 ] - [ -0.0002484500000000, 0.0004727500000000, -0.0000393600000000 ] - [ -0.0024654300000000, -0.0054800100000000, -0.0056329100000000 ] - [ 0.0000438400000000, -0.0000021400000000, 0.0002244700000000 ] - [ 0.0009165500000000, -0.0028302300000000, 0.0021844100000000 ] - [ 0.4587407600000000, -0.0655922400000000, -0.0975100700000000 ] - [ 0.0002017500000000, 0.0000916200000000, -0.0001501800000000 ] - [ -0.0004388800000000, 0.0003433800000000, -0.0002909900000000 ] - [ -0.0008837800000000, 0.0012056700000000, -0.0011440700000000 ] - [ 0.0003817600000000, 0.0004107700000000, 0.0001000200000000 ] - [ 0.0029225100000000, -0.0015345100000000, -0.0002710500000000 ] - [ -0.0032882400000000, 0.0016408200000000, 0.0066401700000000 ] - [ 0.0001108800000000, -0.0000390300000000, 0.0001075300000000 ] - [ -0.0346714100000000, 0.0276634200000000, 0.0186615800000000 ] - [ 0.0000744800000000, 0.0005440200000000, 0.0001998500000000 ] - [ -0.0001572400000000, -0.0003096500000000, -0.0003672900000000 ] - [ -0.0020650200000000, -0.0005404900000000, -0.0040643900000000 ] - [ 0.0007044000000000, 0.0009210300000000, 0.0008518600000000 ] - [ -0.0003987300000000, 0.0004789600000000, 0.0002780600000000 ] - [ -0.0008772000000000, 0.0004691400000000, -0.0004047900000000 ] - [ -0.0003201900000000, -0.0004282400000000, -0.0001752400000000 ] - [ 0.0003853200000000, -0.0009650700000000, -0.0009684300000000 ] - [ 0.0000985100000000, 0.0012570400000000, -0.0005138000000000 ] - [ 0.0022341500000000, 0.0189257900000000, -0.0244157700000000 ] - [ 0.0002092000000000, 0.0004116700000000, -0.0000830600000000 ] - [ 0.0004236100000000, 0.0008935500000000, 0.0002756100000000 ] - [ 0.0004211900000000, -0.0001526100000000, 0.0000844900000000 ] - [ -0.0010103800000000, 0.0001402600000000, -0.0002068500000000 ] - [ -0.0001888200000000, 0.0003252300000000, 0.0002405300000000 ] - [ -0.0000932200000000, -0.0019889800000000, -0.0016854700000000 ] - [ 0.0000071200000000, -0.0003853900000000, -0.0000131700000000 ] - [ -0.0005198900000000, 0.0007462900000000, -0.0003076100000000 ] - [ -0.0007814900000000, -0.0006459900000000, -0.0011753300000000 ] - [ 0.0034361200000000, -0.0172960500000000, 0.0316078200000000 ] - [ -0.0000936900000000, -0.0001370900000000, -0.0005009800000000 ] - [ 0.0003179900000000, 0.0003829200000000, 0.0007033900000000 ] - [ 0.0000445900000000, -0.0010524700000000, 0.0001294300000000 ] - [ -0.0004058600000000, -0.0001276700000000, -0.0001109500000000 ] - [ -0.0080670900000000, 0.0027507600000000, -0.0023705000000000 ] - [ -0.0012536900000000, 0.0012881200000000, -0.0083890400000000 ] - [ 0.0000100600000000, 0.0004077500000000, 0.0001145200000000 ] - [ -0.0001104500000000, -0.0000670700000000, 0.0000186800000000 ] - [ 0.0002345200000000, -0.0004685000000000, 0.0012693100000000 ] - [ -0.0011624900000000, 0.0001177200000000, 0.0002917800000000 ] - [ -0.0007036600000000, -0.0002545400000000, -0.0002668900000000 ] - [ 0.0028195600000000, 0.0039952800000000, 0.0035557700000000 ] - [ 0.0000590800000000, 0.0004964400000000, -0.0002292700000000 ] - [ -0.0000252700000000, 0.0000412900000000, -0.0002121500000000 ] - [ -0.0040008800000000, -0.0007769500000000, 0.0074030700000000 ] - [ 0.0001728500000000, 0.0004225100000000, 0.0000158200000000 ] - [ 0.0010687600000000, 0.0008564300000000, 0.0007107300000000 ] - [ -0.0002532300000000, 0.0002580300000000, 0.0000917600000000 ] - [ -0.0003382400000000, -0.0006854600000000, 0.0014310300000000 ] - [ -0.0419890300000000, -0.0102890600000000, -0.0295672800000000 ] - [ -0.0004887400000000, 0.0008588200000000, 0.0001751200000000 ] - [ 0.0006511500000000, -0.0003571300000000, 0.0000570600000000 ] - [ 0.0016820300000000, -0.0003556200000000, 0.0034353900000000 ] - [ 0.0003207500000000, 0.0006564900000000, 0.0014629300000000 ] - [ 0.0002536900000000, 0.0002904300000000, 0.0000772000000000 ]- atom: 83 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0030065400000000, 0.0028534400000000, 0.0005157600000000 ] - [ 0.0000920200000000, -0.0015302200000000, 0.0001144700000000 ] - [ 0.0028563700000000, -0.0009799800000000, 0.0021521900000000 ] - [ 0.0002453500000000, -0.0007963500000000, -0.0002596000000000 ] - [ -0.0004482400000000, -0.0010361300000000, -0.0000430500000000 ] - [ -0.0033006200000000, 0.0102513600000000, -0.0021449500000000 ] - [ -0.0005562100000000, -0.0011377900000000, -0.0002511000000000 ] - [ 0.0003157100000000, -0.0007250900000000, -0.0004026200000000 ] - [ -0.0010957900000000, 0.0045431700000000, -0.0027504700000000 ] - [ 0.0004285600000000, -0.0012739000000000, 0.0003234300000000 ] - [ -0.0003315700000000, -0.0011712300000000, 0.0000014600000000 ] - [ -0.0001715800000000, 0.0001962200000000, 0.0008634900000000 ] - [ -0.0062069700000000, -0.0005753100000000, 0.0065309800000000 ] - [ 0.0005809500000000, -0.0012095300000000, 0.0000357800000000 ] - [ 0.0005212400000000, 0.0035446400000000, 0.0004148200000000 ] - [ 0.0001766100000000, -0.0005851200000000, 0.0002742700000000 ] - [ -0.0204241500000000, 0.0589770800000000, -0.0143395500000000 ] - [ -0.0001473100000000, -0.0008384800000000, -0.0002021700000000 ] - [ -0.0009583900000000, -0.0008695100000000, -0.0014269600000000 ] - [ -0.0006981900000000, -0.0008378500000000, -0.0001202800000000 ] - [ -0.0003162400000000, -0.0012071200000000, -0.0002077100000000 ] - [ 0.0008343700000000, 0.0020548400000000, -0.0018597900000000 ] - [ -0.0005464600000000, -0.0013045100000000, -0.0003612500000000 ] - [ -0.0059544300000000, -0.0009636600000000, 0.0026071600000000 ] - [ -0.0002601100000000, 0.0003739700000000, -0.0005353400000000 ] - [ 0.0002016600000000, -0.0002665600000000, 0.0009856000000000 ] - [ 0.0002883700000000, -0.0023669800000000, -0.0061593800000000 ] - [ -0.0001637200000000, -0.0007359300000000, -0.0006435800000000 ] - [ -0.0004514200000000, 0.0019495200000000, -0.0010910600000000 ] - [ 0.0000446200000000, -0.0019237500000000, -0.0002508500000000 ] - [ 0.0001653200000000, -0.0018282400000000, 0.0001127000000000 ] - [ 0.0064200500000000, 0.0010487000000000, -0.0042836100000000 ] - [ 0.0006223800000000, -0.0009534700000000, 0.0005152800000000 ] - [ 0.0002591300000000, 0.0015585900000000, -0.0004834400000000 ] - [ 0.0000031800000000, -0.0018270300000000, 0.0003913600000000 ] - [ -0.0001015700000000, -0.0008137300000000, 0.0002260800000000 ] - [ 0.0001182100000000, -0.0016790000000000, -0.0000743700000000 ] - [ -0.0016870200000000, 0.0026291700000000, 0.0023777900000000 ] - [ 0.0010527500000000, -0.0010343200000000, -0.0005066800000000 ] - [ -0.0007242500000000, -0.0011276300000000, -0.0009396100000000 ] - [ 0.0000870200000000, -0.0017657400000000, -0.0001743500000000 ] - [ 0.0006583300000000, -0.0018553300000000, 0.0005792900000000 ] - [ -0.0001999600000000, -0.0013225100000000, 0.0002121800000000 ] - [ 0.0015427600000000, -0.0030012800000000, -0.0040381700000000 ] - [ 0.0011966900000000, -0.0007300000000000, 0.0004481800000000 ] - [ -0.0005753600000000, -0.0014250200000000, -0.0000151300000000 ] - [ -0.0007329900000000, -0.0020438000000000, 0.0012785500000000 ] - [ -0.0001839500000000, -0.0013493100000000, -0.0001206400000000 ] - [ -0.0006239500000000, 0.0031016100000000, 0.0000736800000000 ] - [ -0.0000613500000000, -0.0013337400000000, -0.0000523900000000 ] - [ -0.0000522200000000, -0.0007550700000000, 0.0008845000000000 ] - [ -0.0008059900000000, 0.0014916200000000, -0.0017786700000000 ] - [ 0.0002422100000000, -0.0010229400000000, 0.0006030700000000 ] - [ -0.0001921700000000, -0.0007043500000000, 0.0000830300000000 ] - [ 0.0020922400000000, 0.0515282500000000, -0.0175814700000000 ] - [ -0.0002030300000000, -0.0007987300000000, 0.0002472900000000 ] - [ -0.0005252300000000, 0.0003147600000000, 0.0000449100000000 ] - [ -0.0295471300000000, -0.0034860500000000, 0.0084857300000000 ] - [ 0.0014023000000000, 0.0017865600000000, -0.0035603800000000 ] - [ 0.0000504700000000, 0.0002909900000000, -0.0002544100000000 ] - [ 0.0002209000000000, -0.0010296900000000, 0.0001566400000000 ] - [ 0.0000422900000000, 0.0009774400000000, -0.0004202500000000 ] - [ -0.0003668200000000, 0.0012332600000000, -0.0001689200000000 ] - [ -0.0001522700000000, 0.0009235100000000, -0.0001703300000000 ] - [ 0.0001445800000000, -0.0019099600000000, -0.0002090800000000 ] - [ 0.0005100200000000, 0.0006054400000000, 0.0002273500000000 ] - [ -0.0002373500000000, 0.0010456400000000, -0.0000147100000000 ] - [ 0.0005659600000000, -0.0009611100000000, 0.0014371000000000 ] - [ 0.0031538700000000, 0.0018640100000000, 0.0025581100000000 ] - [ -0.0000680100000000, 0.0015693700000000, -0.0005010600000000 ] - [ -0.0016728400000000, -0.0027289000000000, 0.0012473300000000 ] - [ 0.0002222600000000, 0.0016103100000000, 0.0000420800000000 ] - [ 0.0007023500000000, -0.0018279100000000, -0.0000899700000000 ] - [ 0.0004424100000000, 0.0008158200000000, 0.0003102500000000 ] - [ 0.0007508400000000, 0.0016575400000000, -0.0002293100000000 ] - [ -0.0005208100000000, 0.0022219800000000, -0.0000996900000000 ] - [ 0.0004223700000000, -0.0032798600000000, 0.0003053600000000 ] - [ 0.0001223300000000, 0.0019407900000000, -0.0004040300000000 ] - [ -0.0001008300000000, 0.0012036100000000, 0.0002411600000000 ] - [ -0.0004735200000000, -0.0008533700000000, -0.0005236000000000 ] - [ -0.0000699200000000, 0.0004374000000000, 0.0005408000000000 ] - [ 0.0024417200000000, -0.0003926100000000, -0.0032559500000000 ] - [ 0.0664832600000000, -0.1382614800000000, 0.0647291900000000 ] - [ 0.0000223900000000, 0.0005599900000000, -0.0002893300000000 ] - [ -0.0004732500000000, 0.0007201800000000, -0.0004598000000000 ] - [ -0.0003020900000000, 0.0001096600000000, -0.0002782800000000 ] - [ -0.0001487400000000, 0.0011528300000000, 0.0004552500000000 ] - [ 0.0026259200000000, 0.0131218600000000, -0.0004770700000000 ] - [ -0.0011022200000000, -0.0000689700000000, 0.0017359000000000 ] - [ 0.0002414600000000, 0.0003431700000000, 0.0002143300000000 ] - [ -0.0212061800000000, 0.0056104300000000, 0.0068379000000000 ] - [ 0.0001229600000000, 0.0010844400000000, 0.0004645300000000 ] - [ -0.0000557100000000, 0.0005198200000000, -0.0004624700000000 ] - [ -0.0021033300000000, -0.0019076900000000, -0.0022277500000000 ] - [ 0.0002088100000000, 0.0008278500000000, 0.0007203300000000 ] - [ -0.0000928200000000, 0.0008285700000000, 0.0000746500000000 ] - [ -0.0006416400000000, 0.0001945700000000, -0.0000031000000000 ] - [ 0.0011152400000000, 0.0004269700000000, 0.0000987400000000 ] - [ -0.0000347100000000, 0.0010762900000000, 0.0004585100000000 ] - [ -0.0003365400000000, 0.0015557000000000, -0.0007140000000000 ] - [ -0.0175688400000000, 0.0192885600000000, -0.0303613100000000 ] - [ 0.0001501200000000, 0.0010483200000000, -0.0002481200000000 ] - [ -0.0002638000000000, 0.0011207500000000, 0.0004622800000000 ] - [ 0.0007827000000000, 0.0011227100000000, 0.0012744100000000 ] - [ -0.0003607800000000, -0.0000211700000000, -0.0000721000000000 ] - [ 0.0001338100000000, 0.0003030900000000, 0.0001810500000000 ] - [ -0.0000506400000000, -0.0014465500000000, 0.0004838700000000 ] - [ 0.0000027100000000, 0.0004026900000000, 0.0001651100000000 ] - [ -0.0003537500000000, 0.0017718600000000, 0.0001787000000000 ] - [ -0.0004162400000000, 0.0006599700000000, -0.0001757300000000 ] - [ 0.0121656600000000, -0.0094354500000000, -0.0166069300000000 ] - [ -0.0003519900000000, 0.0003894300000000, -0.0007691200000000 ] - [ 0.0002184200000000, 0.0004488000000000, 0.0009443600000000 ] - [ 0.0022491300000000, 0.0008582600000000, 0.0012495100000000 ] - [ -0.0004887100000000, 0.0006728200000000, -0.0002737000000000 ] - [ -0.0023085100000000, -0.0004367500000000, -0.0003334000000000 ] - [ -0.0007030100000000, -0.0021599800000000, 0.0004482800000000 ] - [ 0.0000182100000000, 0.0009981700000000, 0.0000662200000000 ] - [ -0.0000555400000000, 0.0004105500000000, -0.0003009000000000 ] - [ 0.0000073600000000, -0.0009628900000000, 0.0001069700000000 ] - [ -0.0008815200000000, 0.0003082200000000, -0.0007800600000000 ] - [ -0.0006503300000000, -0.0002019200000000, -0.0000834100000000 ] - [ 0.0005819900000000, 0.0016689100000000, 0.0011940300000000 ] - [ 0.0002895800000000, 0.0010469400000000, -0.0002243600000000 ] - [ -0.0000223300000000, 0.0005684500000000, -0.0002914800000000 ] - [ -0.0005227900000000, -0.0015237700000000, 0.0019028800000000 ] - [ 0.0000882300000000, 0.0012286100000000, -0.0006875500000000 ] - [ -0.0004906700000000, 0.0003622200000000, 0.0018863500000000 ] - [ -0.0003734700000000, 0.0006471400000000, -0.0000456000000000 ] - [ 0.0005769900000000, -0.0014239500000000, 0.0003719800000000 ] - [ 0.0084423300000000, -0.0062608200000000, 0.0041307800000000 ] - [ -0.0003245800000000, 0.0014117100000000, 0.0003936800000000 ] - [ 0.0007881700000000, 0.0001503300000000, 0.0002288400000000 ] - [ 0.0008507400000000, -0.0025162000000000, -0.0008952300000000 ] - [ 0.0007762300000000, 0.0007163600000000, 0.0001924100000000 ] - [ 0.0004049000000000, 0.0004654400000000, -0.0000395000000000 ]- atom: 83 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0025438600000000, -0.0035098200000000, -0.0004215900000000 ] - [ 0.0003798000000000, 0.0008750900000000, -0.0000111900000000 ] - [ -0.0023813100000000, 0.0016335200000000, -0.0020439700000000 ] - [ 0.0002268700000000, 0.0014488100000000, 0.0003619300000000 ] - [ -0.0000249800000000, 0.0016884100000000, -0.0000611300000000 ] - [ 0.0026250500000000, -0.0093752900000000, 0.0016916100000000 ] - [ 0.0000833800000000, 0.0004786000000000, 0.0001483100000000 ] - [ -0.0007853700000000, 0.0000812500000000, 0.0003031700000000 ] - [ 0.0014507500000000, -0.0036591000000000, 0.0025184200000000 ] - [ -0.0000749400000000, 0.0021566100000000, -0.0005548000000000 ] - [ -0.0000208600000000, 0.0020555500000000, 0.0002333600000000 ] - [ -0.0001795100000000, 0.0006886500000000, -0.0006134800000000 ] - [ 0.0069013100000000, -0.0000163200000000, -0.0069995300000000 ] - [ -0.0000126700000000, 0.0006997700000000, -0.0005592100000000 ] - [ -0.0005744100000000, -0.0021801700000000, -0.0003171100000000 ] - [ -0.0002357900000000, 0.0019343000000000, -0.0001805000000000 ] - [ 0.0216732300000000, -0.0580888900000000, 0.0144290900000000 ] - [ -0.0000493700000000, 0.0017230400000000, -0.0000124000000000 ] - [ 0.0001544200000000, 0.0006557000000000, 0.0012170100000000 ] - [ -0.0001046300000000, 0.0006201900000000, -0.0000975100000000 ] - [ 0.0000609000000000, 0.0014206500000000, 0.0000134500000000 ] - [ -0.0010894400000000, -0.0018232300000000, 0.0017056200000000 ] - [ -0.0000221700000000, 0.0007956700000000, 0.0008836600000000 ] - [ 0.0053460800000000, 0.0004813700000000, -0.0020709500000000 ] - [ 0.0003180600000000, 0.0009777700000000, 0.0004422300000000 ] - [ -0.0001407100000000, 0.0016145900000000, -0.0010722900000000 ] - [ 0.0002693500000000, 0.0028778500000000, 0.0056463700000000 ] - [ 0.0007296100000000, 0.0012413300000000, 0.0001195600000000 ] - [ 0.0007936400000000, -0.0028515200000000, 0.0008632000000000 ] - [ 0.0003083500000000, 0.0010371700000000, 0.0000177300000000 ] - [ -0.0001038700000000, 0.0004755700000000, -0.0002055700000000 ] - [ -0.0064695400000000, -0.0024004600000000, 0.0042263500000000 ] - [ 0.0001790600000000, 0.0007353000000000, -0.0002942700000000 ] - [ 0.0005418400000000, -0.0017715900000000, 0.0007044500000000 ] - [ -0.0003555900000000, 0.0009379000000000, -0.0001582300000000 ] - [ -0.0002563200000000, -0.0000480800000000, 0.0000007800000000 ] - [ 0.0000779400000000, 0.0007904900000000, 0.0002891600000000 ] - [ 0.0018767800000000, -0.0035031100000000, -0.0021461000000000 ] - [ -0.0002518300000000, 0.0012504100000000, 0.0007246000000000 ] - [ 0.0015166000000000, 0.0013395300000000, 0.0011538000000000 ] - [ 0.0001695700000000, 0.0019884500000000, 0.0003657500000000 ] - [ -0.0003995900000000, 0.0020642400000000, -0.0003833800000000 ] - [ 0.0003969000000000, 0.0022073800000000, 0.0000007100000000 ] - [ -0.0013267800000000, 0.0038765400000000, 0.0042117900000000 ] - [ -0.0012617600000000, -0.0006269100000000, -0.0003598500000000 ] - [ 0.0005098400000000, 0.0000799800000000, 0.0001094100000000 ] - [ 0.0005302600000000, 0.0011502500000000, -0.0014779700000000 ] - [ -0.0000131300000000, 0.0004630900000000, -0.0000944400000000 ] - [ 0.0008781400000000, -0.0033120300000000, 0.0001476000000000 ] - [ 0.0003159600000000, 0.0011163100000000, 0.0002458200000000 ] - [ -0.0005150700000000, 0.0012609200000000, -0.0003595900000000 ] - [ 0.0002386500000000, -0.0009766700000000, 0.0022958100000000 ] - [ -0.0004962600000000, 0.0008057700000000, -0.0007962400000000 ] - [ -0.0000654300000000, 0.0004937500000000, -0.0002782000000000 ] - [ -0.0016018900000000, -0.0508996100000000, 0.0163286400000000 ] - [ -0.0005965100000000, 0.0010138200000000, -0.0004676400000000 ] - [ -0.0000902100000000, -0.0009886600000000, 0.0004021100000000 ] - [ 0.0288959500000000, 0.0026306000000000, -0.0080206900000000 ] - [ -0.0012713300000000, -0.0024708500000000, 0.0036149700000000 ] - [ 0.0001032600000000, -0.0009868800000000, 0.0003262600000000 ] - [ 0.0003908000000000, 0.0017025300000000, -0.0006017400000000 ] - [ 0.0005706700000000, -0.0003002500000000, -0.0000266000000000 ] - [ 0.0000578600000000, -0.0000346400000000, -0.0002937600000000 ] - [ -0.0001547300000000, 0.0002602500000000, -0.0002954400000000 ] - [ 0.0005169200000000, 0.0009005700000000, 0.0001528000000000 ] - [ 0.0001478300000000, -0.0016273700000000, -0.0002873500000000 ] - [ 0.0003667700000000, -0.0004011600000000, 0.0008439100000000 ] - [ -0.0004345800000000, 0.0015989800000000, -0.0006057800000000 ] - [ -0.0026836400000000, -0.0015822300000000, -0.0025138600000000 ] - [ 0.0005749600000000, -0.0012607400000000, 0.0005602600000000 ] - [ 0.0020010400000000, 0.0039392600000000, -0.0007867400000000 ] - [ 0.0000870200000000, -0.0004144600000000, 0.0004218000000000 ] - [ -0.0001877800000000, 0.0015256600000000, 0.0001413400000000 ] - [ 0.0000658000000000, -0.0011182000000000, -0.0002492400000000 ] - [ 0.0003584000000000, -0.0004211200000000, 0.0000452500000000 ] - [ 0.0016201600000000, -0.0009793900000000, -0.0000850300000000 ] - [ 0.0002306000000000, 0.0042967200000000, -0.0003634800000000 ] - [ 0.0005348700000000, -0.0009160200000000, 0.0003442200000000 ] - [ -0.0004072300000000, -0.0008986300000000, -0.0003014300000000 ] - [ -0.0000358600000000, 0.0011451300000000, 0.0004488500000000 ] - [ -0.0000830100000000, -0.0011322100000000, -0.0006110500000000 ] - [ -0.0025768600000000, -0.0003038500000000, 0.0031631200000000 ] - [ -0.0690007600000000, 0.1374402400000000, -0.0644473400000000 ] - [ 0.0003409700000000, -0.0006943600000000, 0.0000465500000000 ] - [ -0.0000357900000000, -0.0010205300000000, 0.0003987800000000 ] - [ -0.0002037200000000, -0.0004198200000000, 0.0002233100000000 ] - [ -0.0001238200000000, -0.0006069500000000, -0.0004481800000000 ] - [ -0.0028581700000000, -0.0122839500000000, 0.0004710300000000 ] - [ 0.0013812800000000, -0.0004733300000000, -0.0017505200000000 ] - [ 0.0000319000000000, -0.0008862200000000, -0.0002203600000000 ] - [ 0.0215760400000000, -0.0049040100000000, -0.0067973400000000 ] - [ 0.0000307700000000, -0.0003861000000000, -0.0003926500000000 ] - [ -0.0002526900000000, -0.0017105000000000, -0.0000011700000000 ] - [ 0.0017729400000000, 0.0007088000000000, 0.0017415900000000 ] - [ -0.0008226800000000, -0.0001507200000000, -0.0002744400000000 ] - [ -0.0005199400000000, -0.0001518000000000, 0.0003699300000000 ] - [ 0.0012576700000000, -0.0008669500000000, -0.0004430500000000 ] - [ -0.0004948500000000, -0.0011004600000000, -0.0005449400000000 ] - [ -0.0000183700000000, -0.0007224500000000, -0.0008646000000000 ] - [ 0.0002803800000000, -0.0011951800000000, 0.0003055700000000 ] - [ 0.0181075800000000, -0.0189640600000000, 0.0308861700000000 ] - [ 0.0001226600000000, -0.0005022800000000, 0.0002406900000000 ] - [ -0.0001035100000000, -0.0012558400000000, -0.0002210700000000 ] - [ -0.0011411200000000, -0.0012534700000000, -0.0010229000000000 ] - [ 0.0004158300000000, -0.0003291900000000, 0.0004791700000000 ] - [ -0.0000782600000000, -0.0006584900000000, 0.0002246700000000 ] - [ 0.0003617300000000, 0.0002524100000000, -0.0000219600000000 ] - [ 0.0003066200000000, -0.0015958600000000, 0.0002981200000000 ] - [ -0.0003025800000000, -0.0007493900000000, -0.0001184600000000 ] - [ -0.0002426200000000, 0.0003608500000000, 0.0002311900000000 ] - [ -0.0123239800000000, 0.0089770100000000, 0.0157991200000000 ] - [ 0.0002205400000000, -0.0010302100000000, -0.0000610100000000 ] - [ -0.0000849900000000, -0.0010898400000000, -0.0001145600000000 ] - [ -0.0020994000000000, -0.0014965500000000, -0.0004140800000000 ] - [ -0.0001689100000000, -0.0016915300000000, 0.0003332200000000 ] - [ 0.0016705500000000, -0.0006022200000000, 0.0004024800000000 ] - [ 0.0007558900000000, 0.0025143900000000, -0.0000519400000000 ] - [ 0.0000356300000000, -0.0006431700000000, 0.0003397900000000 ] - [ -0.0002171200000000, -0.0009512300000000, 0.0003056500000000 ] - [ -0.0002800900000000, 0.0004161200000000, -0.0001035800000000 ] - [ -0.0002301600000000, -0.0015385200000000, 0.0009644600000000 ] - [ -0.0004599200000000, -0.0010338100000000, 0.0002737300000000 ] - [ -0.0007108500000000, -0.0010314500000000, -0.0020314700000000 ] - [ -0.0004190800000000, -0.0004024200000000, -0.0006063900000000 ] - [ -0.0000315300000000, -0.0009201300000000, -0.0001147500000000 ] - [ 0.0004807600000000, 0.0011687900000000, -0.0023335700000000 ] - [ -0.0002413400000000, -0.0005298300000000, 0.0006160100000000 ] - [ 0.0003295300000000, 0.0003296800000000, -0.0019468300000000 ] - [ 0.0000085500000000, -0.0005087200000000, 0.0002869900000000 ] - [ -0.0009383900000000, 0.0015582600000000, -0.0001321200000000 ] - [ -0.0096310500000000, 0.0074583000000000, -0.0039665000000000 ] - [ -0.0007859500000000, -0.0001758700000000, -0.0002053300000000 ] - [ 0.0003238700000000, -0.0013820400000000, -0.0004174100000000 ] - [ 0.0002593700000000, 0.0012741700000000, 0.0006883700000000 ] - [ -0.0004072000000000, -0.0005770900000000, -0.0004404900000000 ] - [ -0.0000386800000000, -0.0003283200000000, -0.0002025400000000 ]- atom: 83 displacement: [ -0.0045139598196510, 0.0000000000000000, 0.0089232374588249 ] forces: - [ 0.0056227500000000, 0.0012799800000000, 0.0006785500000000 ] - [ 0.0002921700000000, -0.0002413800000000, 0.0000629400000000 ] - [ -0.0017859000000000, 0.0010588000000000, -0.0008053500000000 ] - [ 0.0001421600000000, 0.0005544900000000, 0.0001025100000000 ] - [ -0.0002285200000000, 0.0004078900000000, 0.0000014300000000 ] - [ -0.0054225300000000, -0.0016067900000000, 0.0064814000000000 ] - [ -0.0000483300000000, 0.0003740300000000, -0.0004505400000000 ] - [ -0.0001018400000000, -0.0015841900000000, -0.0009484500000000 ] - [ -0.0011241500000000, -0.0017979600000000, -0.0004988900000000 ] - [ 0.0001170900000000, 0.0007437400000000, -0.0001330400000000 ] - [ -0.0001809000000000, 0.0006258600000000, 0.0000898300000000 ] - [ -0.0000918200000000, 0.0011530100000000, 0.0000757800000000 ] - [ -0.0185377500000000, 0.0131373500000000, -0.0065165300000000 ] - [ 0.0002006400000000, -0.0001602700000000, -0.0002372700000000 ] - [ -0.0010208700000000, 0.0007305600000000, -0.0001029900000000 ] - [ -0.0001020400000000, 0.0008273400000000, 0.0000053100000000 ] - [ -0.0209532500000000, -0.0029067400000000, 0.0462964600000000 ] - [ -0.0000925600000000, 0.0006058300000000, -0.0000848600000000 ] - [ 0.0003343600000000, -0.0017714400000000, -0.0038589600000000 ] - [ -0.0001552800000000, 0.0001570300000000, -0.0003431100000000 ] - [ -0.0001056300000000, 0.0002786000000000, -0.0000826600000000 ] - [ -0.0003445200000000, 0.0008806800000000, 0.0042016900000000 ] - [ -0.0004697100000000, -0.0003868600000000, 0.0004617000000000 ] - [ 0.0009729400000000, 0.0035966800000000, 0.0026355200000000 ] - [ -0.0004443000000000, 0.0003675200000000, -0.0002069200000000 ] - [ 0.0001332500000000, 0.0010957400000000, -0.0003153700000000 ] - [ 0.0009703500000000, -0.0070079000000000, -0.0131408200000000 ] - [ 0.0004742200000000, 0.0004589800000000, -0.0002459000000000 ] - [ 0.0024009100000000, 0.0017690400000000, -0.0007089400000000 ] - [ 0.0001576400000000, -0.0004614400000000, -0.0001584800000000 ] - [ -0.0000148900000000, -0.0005670300000000, -0.0000542800000000 ] - [ 0.0136860300000000, -0.0009875200000000, -0.0051534800000000 ] - [ 0.0003809900000000, 0.0000133200000000, 0.0000064000000000 ] - [ 0.0009612800000000, 0.0001298300000000, -0.0017893500000000 ] - [ -0.0001485600000000, -0.0002632300000000, 0.0002871800000000 ] - [ 0.0006956700000000, -0.0032825600000000, 0.0009819400000000 ] - [ 0.0001715200000000, -0.0003345600000000, 0.0000046300000000 ] - [ 0.0021936800000000, -0.0009824200000000, -0.0043939400000000 ] - [ -0.0001141000000000, -0.0000521800000000, 0.0010267900000000 ] - [ 0.0006905700000000, 0.0009398000000000, 0.0009314500000000 ] - [ 0.0000212300000000, -0.0008299700000000, 0.0015039600000000 ] - [ 0.0000126500000000, 0.0004982000000000, 0.0005692700000000 ] - [ -0.0000051000000000, 0.0010753400000000, 0.0003719600000000 ] - [ -0.0014801700000000, 0.0006597900000000, 0.0024773400000000 ] - [ 0.0008750300000000, -0.0000857600000000, 0.0013509400000000 ] - [ 0.0006286300000000, -0.0013257500000000, -0.0000477100000000 ] - [ 0.0028076400000000, -0.0004049900000000, -0.0062775000000000 ] - [ -0.0000007000000000, -0.0004914900000000, -0.0000915700000000 ] - [ 0.0014438300000000, -0.0014165500000000, -0.0061765800000000 ] - [ 0.0001360900000000, 0.0000040900000000, 0.0000549800000000 ] - [ -0.0002834600000000, 0.0005350400000000, -0.0000310300000000 ] - [ 0.0000556700000000, -0.0007921800000000, -0.0010108800000000 ] - [ -0.0001380500000000, -0.0004301400000000, -0.0006423400000000 ] - [ 0.0001810700000000, -0.0005768100000000, 0.0000201600000000 ] - [ -0.1859518800000000, -0.0181202900000000, 0.1593939500000000 ] - [ -0.0004563700000000, 0.0002312700000000, -0.0001155800000000 ] - [ -0.0002514000000000, -0.0004206100000000, 0.0002208400000000 ] - [ -0.0373610800000000, 0.0136614500000000, -0.0044110600000000 ] - [ 0.0023651100000000, -0.0047816300000000, 0.0066213400000000 ] - [ 0.0001083100000000, -0.0003660900000000, 0.0000082200000000 ] - [ 0.0006277700000000, 0.0001359000000000, 0.0000327800000000 ] - [ 0.0003663500000000, 0.0002587800000000, -0.0001958600000000 ] - [ -0.0002628800000000, 0.0003016200000000, -0.0005065800000000 ] - [ -0.0005011700000000, 0.0017661600000000, -0.0000085300000000 ] - [ -0.0002983600000000, -0.0022481500000000, -0.0004710500000000 ] - [ 0.0002473600000000, -0.0003161800000000, 0.0000401200000000 ] - [ 0.0001259400000000, 0.0001793400000000, 0.0005333600000000 ] - [ 0.0002498100000000, 0.0006293500000000, 0.0016565900000000 ] - [ 0.0015892200000000, 0.0015049400000000, -0.0012108400000000 ] - [ 0.0002998700000000, -0.0001416200000000, 0.0000088700000000 ] - [ -0.0036998700000000, -0.0018627000000000, 0.0006310900000000 ] - [ 0.0001606300000000, 0.0005580200000000, 0.0002329600000000 ] - [ -0.0014567300000000, -0.0000356300000000, 0.0016920900000000 ] - [ 0.0002495600000000, -0.0002017400000000, 0.0000658000000000 ] - [ 0.0006798700000000, 0.0002345300000000, -0.0011708200000000 ] - [ 0.0010949300000000, 0.0003652400000000, -0.0005948100000000 ] - [ 0.0022486200000000, 0.0011264200000000, 0.0002828700000000 ] - [ 0.0003759200000000, 0.0002898800000000, 0.0000209000000000 ] - [ -0.0002554600000000, 0.0000253100000000, -0.0000436000000000 ] - [ -0.0008134400000000, -0.0008666600000000, -0.0008860400000000 ] - [ -0.0000786700000000, -0.0003575000000000, -0.0000904400000000 ] - [ -0.0021183900000000, -0.0041997900000000, 0.0024042200000000 ] - [ 0.2943545000000000, 0.0274648400000000, -0.2370731400000000 ] - [ 0.0002175700000000, -0.0001473100000000, -0.0001228300000000 ] - [ -0.0001918800000000, -0.0001492300000000, 0.0000014200000000 ] - [ -0.0006182200000000, 0.0007161200000000, -0.0007776200000000 ] - [ 0.0000390900000000, 0.0000270100000000, -0.0002967400000000 ] - [ 0.0011514000000000, -0.0023952900000000, -0.0027246000000000 ] - [ -0.0034865600000000, 0.0012885600000000, 0.0063966600000000 ] - [ 0.0000353500000000, -0.0003002600000000, 0.0000201100000000 ] - [ -0.0330655200000000, 0.0236193200000000, 0.0081385100000000 ] - [ 0.0000392100000000, 0.0002435700000000, -0.0000161400000000 ] - [ -0.0001521000000000, -0.0007256000000000, -0.0001825200000000 ] - [ 0.0009550400000000, -0.0005611400000000, 0.0007681700000000 ] - [ -0.0000042300000000, 0.0008984600000000, 0.0010651300000000 ] - [ -0.0005277200000000, 0.0001582100000000, 0.0004842300000000 ] - [ 0.0001834700000000, -0.0002726500000000, -0.0008787800000000 ] - [ -0.0002919300000000, -0.0005661000000000, -0.0003381400000000 ] - [ 0.0000180300000000, 0.0003222300000000, -0.0004497000000000 ] - [ 0.0001706900000000, -0.0005971700000000, -0.0003847500000000 ] - [ 0.0178048100000000, -0.0134619700000000, 0.0027463700000000 ] - [ 0.0001674900000000, 0.0001620000000000, 0.0000036000000000 ] - [ 0.0001179200000000, -0.0006577300000000, -0.0003870700000000 ] - [ -0.0000459700000000, -0.0004125000000000, -0.0004708700000000 ] - [ -0.0004455200000000, 0.0002222900000000, -0.0000748000000000 ] - [ -0.0001280500000000, 0.0000466500000000, 0.0001991800000000 ] - [ 0.0004248100000000, 0.0000498800000000, 0.0008144000000000 ] - [ 0.0001961300000000, -0.0008791600000000, 0.0002517700000000 ] - [ -0.0000793200000000, 0.0003697200000000, 0.0001908400000000 ] - [ -0.0003680700000000, -0.0000077900000000, -0.0000369200000000 ] - [ -0.0199447200000000, -0.0268897200000000, 0.0403301700000000 ] - [ -0.0000160700000000, -0.0003997300000000, -0.0003939600000000 ] - [ 0.0001225200000000, -0.0002374200000000, 0.0000306500000000 ] - [ -0.0008451800000000, -0.0014349900000000, -0.0006426600000000 ] - [ -0.0003125800000000, -0.0006670300000000, 0.0000298700000000 ] - [ -0.0044385600000000, 0.0019540400000000, -0.0015757000000000 ] - [ 0.0002534200000000, 0.0012414000000000, -0.0013078200000000 ] - [ 0.0000356400000000, 0.0000687200000000, 0.0002314500000000 ] - [ -0.0002104300000000, -0.0003837700000000, 0.0001751600000000 ] - [ -0.0008371200000000, -0.0004410400000000, 0.0016914500000000 ] - [ -0.0009599700000000, -0.0007885000000000, 0.0014503700000000 ] - [ -0.0006521800000000, -0.0004537000000000, -0.0000563900000000 ] - [ 0.0011983700000000, 0.0039171300000000, 0.0031694000000000 ] - [ -0.0001785300000000, 0.0001474600000000, -0.0003725900000000 ] - [ -0.0000267300000000, -0.0002732900000000, -0.0001737300000000 ] - [ -0.0021728400000000, 0.0000821700000000, 0.0039882300000000 ] - [ -0.0001113100000000, 0.0000468800000000, 0.0001029900000000 ] - [ 0.0005428900000000, 0.0011723500000000, -0.0000784900000000 ] - [ -0.0001881700000000, 0.0000079200000000, 0.0001693400000000 ] - [ -0.0014173600000000, -0.0000483400000000, 0.0014626600000000 ] - [ -0.0059602800000000, -0.0019749400000000, -0.0124081100000000 ] - [ -0.0005870200000000, 0.0005238600000000, 0.0000511700000000 ] - [ 0.0005226300000000, -0.0006845400000000, -0.0000747600000000 ] - [ 0.0001906100000000, 0.0003468300000000, 0.0048926900000000 ] - [ -0.0011660200000000, 0.0000540200000000, 0.0020653500000000 ] - [ 0.0000398400000000, 0.0000992800000000, 0.0000642800000000 ]- atom: 83 displacement: [ 0.0045139598196510, 0.0000000000000000, -0.0089232374588249 ] forces: - [ -0.0051040800000000, -0.0019246500000000, -0.0005813300000000 ] - [ 0.0001822100000000, -0.0004141300000000, 0.0000406400000000 ] - [ 0.0022743700000000, -0.0004289500000000, 0.0009321900000000 ] - [ 0.0003317400000000, 0.0001005200000000, 0.0000024100000000 ] - [ -0.0002461700000000, 0.0002429100000000, -0.0001055700000000 ] - [ 0.0048216100000000, 0.0023107400000000, -0.0065524800000000 ] - [ -0.0004263600000000, -0.0010197500000000, 0.0003455500000000 ] - [ -0.0003698100000000, 0.0009157400000000, 0.0008389300000000 ] - [ 0.0014763900000000, 0.0027007400000000, 0.0002506200000000 ] - [ 0.0002355900000000, 0.0001401600000000, -0.0001007400000000 ] - [ -0.0001718700000000, 0.0002557700000000, 0.0001443600000000 ] - [ -0.0002536000000000, -0.0002562900000000, 0.0001870200000000 ] - [ 0.0187420100000000, -0.0135511800000000, 0.0060792000000000 ] - [ 0.0003670000000000, -0.0003482700000000, -0.0002854100000000 ] - [ 0.0009634300000000, 0.0006281200000000, 0.0002343000000000 ] - [ 0.0000435300000000, 0.0005230500000000, 0.0000878900000000 ] - [ 0.0206797800000000, 0.0040369500000000, -0.0465901700000000 ] - [ -0.0001054700000000, 0.0002805900000000, -0.0001285700000000 ] - [ -0.0011309200000000, 0.0015545600000000, 0.0036234700000000 ] - [ -0.0006469400000000, -0.0003762500000000, 0.0001202000000000 ] - [ -0.0001485400000000, -0.0000645300000000, -0.0001069700000000 ] - [ 0.0001131000000000, -0.0006163800000000, -0.0042426400000000 ] - [ -0.0001002100000000, -0.0001236900000000, 0.0000604200000000 ] - [ -0.0015285600000000, -0.0041100900000000, -0.0021531500000000 ] - [ 0.0005063200000000, 0.0009843900000000, 0.0001109100000000 ] - [ -0.0000684800000000, 0.0002596500000000, 0.0002272800000000 ] - [ -0.0004007900000000, 0.0074631600000000, 0.0125444000000000 ] - [ 0.0000947400000000, 0.0000465000000000, -0.0002815200000000 ] - [ -0.0020198100000000, -0.0026308800000000, 0.0004773000000000 ] - [ 0.0001943000000000, -0.0004282500000000, -0.0000782300000000 ] - [ 0.0000728700000000, -0.0007876700000000, -0.0000380000000000 ] - [ -0.0135374800000000, -0.0003510300000000, 0.0050223900000000 ] - [ 0.0004221800000000, -0.0002317200000000, 0.0002162900000000 ] - [ -0.0001674400000000, -0.0003450500000000, 0.0020063400000000 ] - [ -0.0002029400000000, -0.0006224500000000, -0.0000495100000000 ] - [ -0.0010385400000000, 0.0023715800000000, -0.0007411700000000 ] - [ 0.0000279500000000, -0.0005550600000000, 0.0002063700000000 ] - [ -0.0020145900000000, 0.0000876900000000, 0.0045992100000000 ] - [ 0.0009224200000000, 0.0002614400000000, -0.0008109400000000 ] - [ 0.0001168100000000, -0.0007171300000000, -0.0007119900000000 ] - [ 0.0002344800000000, 0.0010353700000000, -0.0013077100000000 ] - [ 0.0002404800000000, -0.0002831700000000, -0.0003795200000000 ] - [ 0.0001953000000000, -0.0001920400000000, -0.0001593700000000 ] - [ 0.0016606500000000, 0.0002319800000000, -0.0022466100000000 ] - [ -0.0009155800000000, -0.0012587100000000, -0.0012507200000000 ] - [ -0.0006802600000000, -0.0000345100000000, 0.0001386700000000 ] - [ -0.0030030800000000, -0.0004826100000000, 0.0060409200000000 ] - [ -0.0001982500000000, -0.0003999300000000, -0.0001203600000000 ] - [ -0.0011608900000000, 0.0011983000000000, 0.0063416400000000 ] - [ 0.0001177700000000, -0.0002231100000000, 0.0001328100000000 ] - [ -0.0002851500000000, -0.0000287100000000, 0.0005570100000000 ] - [ -0.0006393900000000, 0.0012951100000000, 0.0015316600000000 ] - [ -0.0001158300000000, 0.0002132200000000, 0.0004538100000000 ] - [ -0.0004325700000000, 0.0003518300000000, -0.0002081500000000 ] - [ 0.1718554800000000, 0.0177791700000000, -0.1530757100000000 ] - [ -0.0003473100000000, -0.0000155600000000, -0.0001047100000000 ] - [ -0.0003601900000000, -0.0002592200000000, 0.0002315600000000 ] - [ 0.0362079800000000, -0.0141837200000000, 0.0047759900000000 ] - [ -0.0021613200000000, 0.0040663800000000, -0.0065391800000000 ] - [ 0.0000377600000000, -0.0003258900000000, 0.0000582700000000 ] - [ -0.0000069700000000, 0.0005399700000000, -0.0004936900000000 ] - [ 0.0002453300000000, 0.0004223300000000, -0.0002564900000000 ] - [ -0.0000515000000000, 0.0008909700000000, 0.0000353200000000 ] - [ 0.0001856300000000, -0.0005600500000000, -0.0004570200000000 ] - [ 0.0009462500000000, 0.0012068200000000, 0.0004060700000000 ] - [ 0.0004091300000000, -0.0006986800000000, -0.0000980600000000 ] - [ -0.0000063900000000, 0.0004646200000000, 0.0002987900000000 ] - [ -0.0001183800000000, 0.0000113900000000, -0.0008232500000000 ] - [ -0.0010539000000000, -0.0011800100000000, 0.0012870400000000 ] - [ 0.0002127600000000, 0.0004473300000000, 0.0000520100000000 ] - [ 0.0039758300000000, 0.0030343100000000, -0.0001614600000000 ] - [ 0.0001517300000000, 0.0006396600000000, 0.0002360700000000 ] - [ 0.0019440300000000, -0.0002801700000000, -0.0016239500000000 ] - [ 0.0002635700000000, -0.0000996300000000, -0.0000034200000000 ] - [ 0.0004467700000000, 0.0009978000000000, 0.0009777100000000 ] - [ 0.0000318100000000, 0.0008660000000000, 0.0004045100000000 ] - [ -0.0015984700000000, -0.0001146600000000, -0.0003585800000000 ] - [ 0.0002809400000000, 0.0007328600000000, -0.0000807700000000 ] - [ -0.0002571800000000, 0.0002812000000000, -0.0000175300000000 ] - [ 0.0002846000000000, 0.0011306800000000, 0.0007856000000000 ] - [ -0.0000661500000000, -0.0003348600000000, 0.0000242800000000 ] - [ 0.0020001900000000, 0.0035654900000000, -0.0024842900000000 ] - [ -0.2793091200000000, -0.0266645000000000, 0.2298143300000000 ] - [ 0.0001522900000000, 0.0000063100000000, -0.0001108400000000 ] - [ -0.0003208300000000, -0.0001539100000000, -0.0000634600000000 ] - [ 0.0001024100000000, -0.0010105900000000, 0.0007079000000000 ] - [ -0.0003026300000000, 0.0005256000000000, 0.0003067600000000 ] - [ -0.0014192700000000, 0.0028936500000000, 0.0027484700000000 ] - [ 0.0037377300000000, -0.0018233700000000, -0.0063793000000000 ] - [ 0.0002294300000000, -0.0002479800000000, -0.0000276800000000 ] - [ 0.0334915600000000, -0.0231386300000000, -0.0079919700000000 ] - [ 0.0001038700000000, 0.0004523600000000, 0.0000864300000000 ] - [ -0.0001600900000000, -0.0004699500000000, -0.0002884000000000 ] - [ -0.0012684700000000, -0.0006349200000000, -0.0012540800000000 ] - [ -0.0006120500000000, -0.0002173800000000, -0.0006069100000000 ] - [ -0.0000876200000000, 0.0005242200000000, -0.0000306000000000 ] - [ 0.0004188000000000, -0.0004051800000000, 0.0004266000000000 ] - [ 0.0009009100000000, -0.0001149700000000, -0.0001138200000000 ] - [ -0.0000687200000000, 0.0000401100000000, 0.0000435100000000 ] - [ -0.0002184600000000, 0.0009556400000000, -0.0000250800000000 ] - [ -0.0174751800000000, 0.0140481000000000, -0.0030220100000000 ] - [ 0.0000987300000000, 0.0003901800000000, -0.0000141700000000 ] - [ -0.0004870900000000, 0.0005232000000000, 0.0006212400000000 ] - [ -0.0003223000000000, 0.0002679200000000, 0.0007023400000000 ] - [ 0.0004910600000000, -0.0005802000000000, 0.0004779800000000 ] - [ 0.0001763300000000, -0.0004004700000000, 0.0002087700000000 ] - [ -0.0001171900000000, -0.0012464200000000, -0.0003435700000000 ] - [ 0.0001156400000000, -0.0003174600000000, 0.0002164400000000 ] - [ -0.0005786000000000, 0.0006540900000000, -0.0001313800000000 ] - [ -0.0002919500000000, 0.0010165700000000, 0.0000890100000000 ] - [ 0.0192858100000000, 0.0255874900000000, -0.0402850800000000 ] - [ -0.0001052500000000, -0.0002418200000000, -0.0004388300000000 ] - [ -0.0000012800000000, -0.0004025400000000, 0.0008046300000000 ] - [ 0.0009645300000000, 0.0007900500000000, 0.0014798700000000 ] - [ -0.0003429700000000, -0.0003525500000000, 0.0000298900000000 ] - [ 0.0037325600000000, -0.0029516500000000, 0.0016194800000000 ] - [ -0.0002144500000000, -0.0008769200000000, 0.0016573500000000 ] - [ 0.0000135600000000, 0.0002897600000000, 0.0001743900000000 ] - [ -0.0000542500000000, -0.0001674700000000, -0.0001653900000000 ] - [ 0.0005810800000000, -0.0001054300000000, -0.0016835100000000 ] - [ -0.0001608900000000, -0.0004435800000000, -0.0012606800000000 ] - [ -0.0004694200000000, -0.0007743000000000, 0.0002414900000000 ] - [ -0.0013076300000000, -0.0032616400000000, -0.0039828200000000 ] - [ 0.0000593600000000, 0.0004967800000000, -0.0004590700000000 ] - [ -0.0000218500000000, -0.0000838600000000, -0.0002331900000000 ] - [ 0.0021008300000000, -0.0004371000000000, -0.0043706500000000 ] - [ -0.0000303100000000, 0.0006482100000000, -0.0001743400000000 ] - [ -0.0006771200000000, -0.0004722400000000, 0.0000074600000000 ] - [ -0.0001800000000000, 0.0001340700000000, 0.0000645300000000 ] - [ 0.0010547800000000, 0.0001873400000000, -0.0012229600000000 ] - [ 0.0045500800000000, 0.0031313500000000, 0.0124606900000000 ] - [ -0.0005332700000000, 0.0007095900000000, 0.0001367400000000 ] - [ 0.0005990400000000, -0.0005449800000000, -0.0001112300000000 ] - [ 0.0009365100000000, -0.0015712100000000, -0.0050685300000000 ] - [ 0.0015352200000000, 0.0000866200000000, -0.0022890300000000 ] - [ 0.0003306900000000, 0.0000456200000000, -0.0002962100000000 ]- atom: 87 displacement: [ 0.0099999786541794, 0.0000000000000000, -0.0000206619446251 ] forces: - [ -0.0001610700000000, -0.0011413700000000, 0.0002024000000000 ] - [ -0.0007893300000000, 0.0007072300000000, -0.0001469400000000 ] - [ -0.0001103700000000, -0.0011238100000000, -0.0025246700000000 ] - [ 0.0002410800000000, 0.0004687800000000, -0.0000445100000000 ] - [ 0.0096275100000000, 0.0030382600000000, 0.0020384700000000 ] - [ -0.0000688600000000, 0.0005937800000000, -0.0000427100000000 ] - [ -0.0041877300000000, -0.0002908900000000, 0.0019280800000000 ] - [ -0.0002568400000000, -0.0003053400000000, -0.0000051900000000 ] - [ -0.0003099400000000, 0.0018718400000000, -0.0027659400000000 ] - [ 0.0003711700000000, -0.0003324400000000, -0.0002211400000000 ] - [ -0.0004553800000000, 0.0003083600000000, -0.0023660800000000 ] - [ -0.0001957600000000, 0.0004720200000000, -0.0000460400000000 ] - [ 0.0018481200000000, 0.0003027800000000, 0.0008018400000000 ] - [ 0.0011986100000000, -0.0008894500000000, 0.0000355800000000 ] - [ -0.0006298200000000, 0.0010740900000000, -0.0006103300000000 ] - [ -0.0011922900000000, 0.0003689600000000, -0.0009345600000000 ] - [ 0.0006959500000000, -0.0000694800000000, -0.0002948300000000 ] - [ 0.0035601500000000, 0.0016122600000000, 0.0004586300000000 ] - [ 0.0005123900000000, -0.0002928900000000, 0.0008977400000000 ] - [ -0.0003105800000000, 0.0000692600000000, 0.0000243000000000 ] - [ -0.0002992900000000, 0.0006035900000000, -0.0022904300000000 ] - [ -0.0001569000000000, -0.0000242900000000, -0.0002356700000000 ] - [ 0.2106807300000000, 0.0143338500000000, -0.0987353500000000 ] - [ -0.0001738500000000, -0.0002361200000000, 0.0002390300000000 ] - [ 0.0006610600000000, 0.0009980400000000, -0.0062993100000000 ] - [ 0.0001506600000000, 0.0005635800000000, -0.0001375400000000 ] - [ 0.0010946700000000, -0.0004588100000000, 0.0003479000000000 ] - [ 0.0005090900000000, 0.0008442600000000, -0.0000720200000000 ] - [ -0.0003819200000000, -0.0009535800000000, -0.0001936200000000 ] - [ 0.0001169600000000, -0.0005324400000000, 0.0004377400000000 ] - [ -0.0038106400000000, -0.0002136400000000, 0.0006316400000000 ] - [ -0.0003048200000000, -0.0007401800000000, 0.0000283700000000 ] - [ -0.0018618400000000, -0.0007061300000000, 0.0026662700000000 ] - [ 0.0002799700000000, -0.0001340400000000, 0.0001863000000000 ] - [ -0.0037349800000000, 0.0012386100000000, -0.0009672700000000 ] - [ -0.0001999100000000, -0.0004314400000000, 0.0001104000000000 ] - [ -0.0065645200000000, 0.0050359800000000, 0.0130277800000000 ] - [ 0.0002029900000000, -0.0005062400000000, 0.0001446300000000 ] - [ 0.0012645800000000, -0.0118208200000000, -0.0186869400000000 ] - [ 0.0004728500000000, 0.0001616800000000, 0.0000804100000000 ] - [ -0.0028752000000000, 0.0068625700000000, -0.0096647400000000 ] - [ 0.0002435600000000, -0.0002008900000000, 0.0001523000000000 ] - [ 0.0525976000000000, -0.0080770800000000, -0.0063769200000000 ] - [ 0.0001987000000000, 0.0004062000000000, 0.0001760100000000 ] - [ -0.0055919200000000, -0.0014851900000000, -0.0004296700000000 ] - [ -0.0000895700000000, -0.0006507400000000, -0.0000117100000000 ] - [ 0.0007045700000000, -0.0009303200000000, 0.0013472400000000 ] - [ -0.0002680800000000, -0.0002229900000000, 0.0002709600000000 ] - [ 0.0000944100000000, -0.0001541700000000, 0.0001463600000000 ] - [ 0.0006511800000000, -0.0000191700000000, 0.0024669600000000 ] - [ -0.0003481300000000, -0.0066436500000000, 0.0099582800000000 ] - [ -0.0002806600000000, 0.0002581800000000, 0.0003353400000000 ] - [ -0.0033716800000000, -0.0014471400000000, 0.0024123300000000 ] - [ -0.0001706100000000, -0.0000299200000000, -0.0001017000000000 ] - [ -0.0002470200000000, 0.0007528000000000, -0.0001182600000000 ] - [ 0.0011741600000000, -0.0032737300000000, 0.0014576700000000 ] - [ 0.0024221600000000, 0.0031148100000000, -0.0010872400000000 ] - [ -0.0001286500000000, -0.0004927000000000, 0.0001702000000000 ] - [ -0.0005838900000000, 0.0000015000000000, -0.0006961300000000 ] - [ -0.0000305500000000, -0.0001886300000000, -0.0002578000000000 ] - [ 0.0006287200000000, 0.0003236700000000, -0.0002204600000000 ] - [ 0.0014888500000000, 0.0002541600000000, -0.0005189500000000 ] - [ 0.0024433400000000, 0.0001676700000000, 0.0005257500000000 ] - [ -0.0001305600000000, 0.0005730500000000, -0.0002155700000000 ] - [ 0.0023117500000000, 0.0001556300000000, 0.0006815600000000 ] - [ 0.0003420200000000, -0.0005011200000000, -0.0001050000000000 ] - [ -0.0008998100000000, 0.0023349600000000, -0.0024040900000000 ] - [ 0.0000663500000000, 0.0003295500000000, 0.0003649700000000 ] - [ 0.0016945500000000, -0.0040410300000000, 0.0035126700000000 ] - [ 0.0001973900000000, 0.0005342100000000, 0.0000036600000000 ] - [ 0.0004641600000000, 0.0008401200000000, 0.0002009600000000 ] - [ 0.0011576500000000, 0.0010459100000000, -0.0000025000000000 ] - [ 0.0003155400000000, 0.0000155400000000, 0.0001671200000000 ] - [ -0.0000190100000000, -0.0005848900000000, -0.0006526000000000 ] - [ 0.0130972600000000, -0.0336832000000000, -0.0078172100000000 ] - [ 0.0004870700000000, 0.0007281700000000, -0.0001895400000000 ] - [ 0.0006941300000000, -0.0008072400000000, 0.0007774000000000 ] - [ 0.0012016600000000, 0.0015907000000000, 0.0006794800000000 ] - [ 0.0000925500000000, 0.0001320100000000, 0.0018495500000000 ] - [ -0.0002117200000000, 0.0002407700000000, 0.0000727000000000 ] - [ 0.0044436000000000, -0.0176718000000000, -0.0382107800000000 ] - [ -0.0001502800000000, -0.0003389700000000, -0.0000147300000000 ] - [ -0.0003360700000000, -0.0000854000000000, -0.0001858100000000 ] - [ -0.0028881100000000, 0.0026820900000000, -0.0002229700000000 ] - [ 0.0023398000000000, -0.0005718500000000, -0.0003510700000000 ] - [ -0.0002293400000000, -0.0001915700000000, -0.0000211600000000 ] - [ -0.3441464800000000, 0.0075754200000000, 0.1680619000000000 ] - [ -0.0002205300000000, 0.0002524400000000, 0.0000036100000000 ] - [ -0.0001973700000000, -0.0000338700000000, -0.0003280500000000 ] - [ 0.0001956400000000, -0.0006369900000000, -0.0001795100000000 ] - [ -0.0003239900000000, 0.0008562700000000, 0.0000353100000000 ] - [ -0.0004582700000000, -0.0001903000000000, -0.0000305100000000 ] - [ 0.0010140100000000, -0.0008152000000000, 0.0017223900000000 ] - [ -0.0000649300000000, -0.0007623500000000, -0.0000594000000000 ] - [ -0.0015634700000000, 0.0003259300000000, 0.0008198700000000 ] - [ -0.0004546500000000, 0.0002880900000000, 0.0002146400000000 ] - [ 0.0051436800000000, 0.0037304900000000, 0.0037764300000000 ] - [ 0.0002976300000000, -0.0003997300000000, -0.0002031400000000 ] - [ 0.0035850000000000, -0.0040817600000000, 0.0093575700000000 ] - [ -0.0000646200000000, 0.0002803100000000, -0.0001290600000000 ] - [ -0.0008540900000000, 0.0007676300000000, -0.0000993000000000 ] - [ -0.0008533400000000, 0.0001357600000000, 0.0000098300000000 ] - [ -0.0024939200000000, 0.0176768400000000, 0.0187651800000000 ] - [ -0.0002564600000000, -0.0000860100000000, 0.0001175300000000 ] - [ 0.0020397600000000, 0.0008289400000000, -0.0002598800000000 ] - [ 0.0000890400000000, -0.0002556300000000, 0.0002253100000000 ] - [ 0.0009261300000000, -0.0013868000000000, 0.0027659400000000 ] - [ 0.0001064400000000, -0.0002601900000000, 0.0004704500000000 ] - [ 0.0004937400000000, 0.0010199500000000, 0.0021235500000000 ] - [ -0.0003244300000000, 0.0005241300000000, 0.0000928300000000 ] - [ -0.0005183100000000, -0.0007002200000000, -0.0007348200000000 ] - [ -0.0007110700000000, 0.0006782400000000, -0.0014731900000000 ] - [ 0.0483079100000000, 0.0277831800000000, -0.0040856100000000 ] - [ 0.0000202300000000, -0.0003563000000000, 0.0004154500000000 ] - [ 0.0012853800000000, -0.0018981300000000, 0.0006950000000000 ] - [ -0.0002183300000000, -0.0004818600000000, 0.0000560400000000 ] - [ 0.0001270800000000, 0.0002984100000000, 0.0005195200000000 ] - [ 0.0002094600000000, -0.0002303400000000, 0.0015352600000000 ] - [ 0.0044312900000000, 0.0021314700000000, -0.0076196000000000 ] - [ -0.0001408800000000, -0.0002663700000000, -0.0000359300000000 ] - [ -0.0004974000000000, 0.0000811300000000, -0.0014204800000000 ] - [ -0.0004766500000000, -0.0006934200000000, 0.0000536900000000 ] - [ -0.0010314800000000, 0.0003800500000000, -0.0010079600000000 ] - [ -0.0002955700000000, 0.0000837900000000, -0.0005703600000000 ] - [ 0.0005734600000000, 0.0001713900000000, -0.0016064100000000 ] - [ 0.0000385200000000, -0.0001501700000000, -0.0002472700000000 ] - [ 0.0053149000000000, -0.0016771500000000, -0.0305933000000000 ] - [ -0.0000840500000000, 0.0003579200000000, -0.0000957700000000 ] - [ 0.0032692800000000, -0.0011766600000000, -0.0022140100000000 ] - [ -0.0001592300000000, 0.0001750400000000, 0.0000188800000000 ] - [ -0.0006507300000000, 0.0007720500000000, 0.0002617500000000 ] - [ -0.0006638700000000, -0.0017846200000000, 0.0014511200000000 ] - [ -0.0002315600000000, -0.0026992400000000, -0.0036501700000000 ] - [ 0.0004807700000000, -0.0005824600000000, -0.0001202100000000 ] - [ -0.0001861500000000, -0.0000715900000000, -0.0011062900000000 ] - [ 0.0001587000000000, -0.0000122200000000, -0.0002181100000000 ]- atom: 87 displacement: [ -0.0099999786541794, 0.0000000000000000, 0.0000206619446251 ] forces: - [ 0.0006337200000000, 0.0004835600000000, -0.0000979900000000 ] - [ 0.0012600100000000, -0.0013527900000000, 0.0002507400000000 ] - [ 0.0006017500000000, 0.0017940500000000, 0.0026496700000000 ] - [ 0.0002314800000000, 0.0001879500000000, 0.0001486900000000 ] - [ -0.0100758800000000, -0.0025423000000000, -0.0023267000000000 ] - [ -0.0004019300000000, 0.0000656900000000, -0.0000620600000000 ] - [ 0.0036795900000000, -0.0003723200000000, -0.0020202200000000 ] - [ -0.0002159800000000, -0.0003438300000000, -0.0000989600000000 ] - [ 0.0006571700000000, -0.0009793300000000, 0.0025103800000000 ] - [ -0.0000178400000000, 0.0012227700000000, -0.0000127200000000 ] - [ 0.0001077800000000, 0.0005639500000000, 0.0026068200000000 ] - [ -0.0001554200000000, 0.0004201300000000, 0.0002794500000000 ] - [ -0.0012831800000000, -0.0008024200000000, -0.0013197500000000 ] - [ -0.0006330300000000, 0.0003824700000000, -0.0005583400000000 ] - [ 0.0005675200000000, 0.0002826300000000, 0.0007021300000000 ] - [ 0.0011331300000000, 0.0009803200000000, 0.0010311900000000 ] - [ -0.0008842100000000, 0.0009633600000000, 0.0000724500000000 ] - [ -0.0037530500000000, -0.0007243300000000, -0.0006809100000000 ] - [ -0.0013124600000000, 0.0000684700000000, -0.0011160900000000 ] - [ -0.0004910500000000, -0.0002821900000000, -0.0002428900000000 ] - [ 0.0000500200000000, -0.0003989200000000, 0.0020933200000000 ] - [ -0.0000957200000000, 0.0002452500000000, 0.0000420000000000 ] - [ -0.2009236600000000, -0.0149214100000000, 0.0903194600000000 ] - [ -0.0003925300000000, -0.0002692400000000, 0.0002842900000000 ] - [ -0.0006002500000000, 0.0003552400000000, 0.0061950800000000 ] - [ -0.0000895300000000, 0.0007916100000000, 0.0000447700000000 ] - [ -0.0005163800000000, 0.0009609200000000, -0.0008687600000000 ] - [ 0.0000609200000000, -0.0003301700000000, -0.0004495700000000 ] - [ 0.0007316000000000, 0.0000683000000000, -0.0000421900000000 ] - [ 0.0002363300000000, -0.0003457000000000, -0.0006712600000000 ] - [ 0.0038798900000000, -0.0011360100000000, -0.0007346500000000 ] - [ 0.0003610300000000, -0.0006083300000000, -0.0001219400000000 ] - [ 0.0026508400000000, 0.0004783500000000, -0.0024197500000000 ] - [ 0.0005224200000000, -0.0000806800000000, 0.0000345300000000 ] - [ 0.0033617800000000, -0.0021276600000000, 0.0011924200000000 ] - [ -0.0001521000000000, -0.0004486700000000, 0.0001240300000000 ] - [ 0.0067081100000000, -0.0059080900000000, -0.0127669500000000 ] - [ -0.0000057600000000, -0.0003777900000000, 0.0000697600000000 ] - [ -0.0002333900000000, 0.0119705200000000, 0.0186369800000000 ] - [ 0.0003307700000000, 0.0000582700000000, 0.0001415000000000 ] - [ 0.0030863100000000, -0.0066058100000000, 0.0097378600000000 ] - [ 0.0000107500000000, 0.0004207000000000, 0.0000411700000000 ] - [ -0.0524105300000000, 0.0089594700000000, 0.0068145000000000 ] - [ -0.0000024100000000, 0.0004852800000000, 0.0000374000000000 ] - [ 0.0055158700000000, 0.0001178500000000, 0.0005024500000000 ] - [ 0.0000324300000000, -0.0006957400000000, 0.0001059500000000 ] - [ -0.0008978300000000, 0.0000341700000000, -0.0015412700000000 ] - [ 0.0000712100000000, -0.0006593500000000, -0.0004835900000000 ] - [ 0.0001603400000000, -0.0000581400000000, 0.0000479900000000 ] - [ -0.0003919100000000, -0.0001937400000000, -0.0022562400000000 ] - [ -0.0002241300000000, 0.0071014600000000, -0.0093267600000000 ] - [ -0.0002879200000000, 0.0002535000000000, 0.0001861700000000 ] - [ 0.0030820500000000, 0.0012079100000000, -0.0025759800000000 ] - [ -0.0000836800000000, -0.0001816800000000, -0.0000924500000000 ] - [ -0.0005571800000000, -0.0005282500000000, -0.0001048000000000 ] - [ -0.0019978100000000, 0.0034987900000000, -0.0016831300000000 ] - [ -0.0030631100000000, -0.0038341500000000, 0.0015490900000000 ] - [ -0.0004830300000000, -0.0001870400000000, 0.0002778400000000 ] - [ 0.0007401800000000, -0.0006975200000000, 0.0007553900000000 ] - [ 0.0001840700000000, -0.0005094700000000, 0.0003286400000000 ] - [ -0.0000116000000000, 0.0003518200000000, -0.0002268000000000 ] - [ -0.0008683000000000, 0.0004236400000000, 0.0000655700000000 ] - [ -0.0027360200000000, 0.0010347500000000, -0.0009751900000000 ] - [ -0.0001770600000000, 0.0006160000000000, -0.0002493700000000 ] - [ -0.0016436300000000, -0.0011731700000000, -0.0007351300000000 ] - [ 0.0003146500000000, -0.0005270900000000, 0.0000423600000000 ] - [ 0.0010253200000000, -0.0016728600000000, 0.0032026700000000 ] - [ 0.0000652000000000, 0.0003109200000000, 0.0004660000000000 ] - [ -0.0011791000000000, 0.0043203200000000, -0.0034210200000000 ] - [ 0.0003116900000000, -0.0002348000000000, 0.0000562600000000 ] - [ -0.0001541900000000, 0.0003526000000000, 0.0002634400000000 ] - [ -0.0008523800000000, 0.0001406700000000, 0.0004695200000000 ] - [ 0.0001926500000000, -0.0003185500000000, -0.0001077200000000 ] - [ 0.0005239000000000, 0.0002739700000000, 0.0007082800000000 ] - [ -0.0118600500000000, 0.0351568100000000, 0.0077206600000000 ] - [ 0.0006250900000000, 0.0005037400000000, 0.0000006000000000 ] - [ -0.0000340300000000, 0.0018204700000000, -0.0008329600000000 ] - [ -0.0005445400000000, -0.0005697100000000, -0.0007396000000000 ] - [ -0.0006055400000000, 0.0001791500000000, -0.0019074200000000 ] - [ -0.0002959700000000, 0.0000602800000000, -0.0001346300000000 ] - [ -0.0045922200000000, 0.0168904800000000, 0.0377118700000000 ] - [ -0.0000022300000000, -0.0003584300000000, -0.0000560600000000 ] - [ 0.0007027100000000, -0.0000561500000000, -0.0000520400000000 ] - [ 0.0032666600000000, -0.0028013200000000, -0.0000095900000000 ] - [ -0.0028268000000000, 0.0002698200000000, 0.0002836200000000 ] - [ -0.0002768600000000, -0.0001150500000000, -0.0000384000000000 ] - [ 0.3322700500000000, -0.0076614900000000, -0.1583784300000000 ] - [ -0.0000508100000000, 0.0002913000000000, 0.0000024300000000 ] - [ 0.0004669300000000, -0.0005085200000000, 0.0003174300000000 ] - [ 0.0000775800000000, 0.0000875200000000, 0.0001716500000000 ] - [ 0.0004724200000000, -0.0001575900000000, 0.0000382200000000 ] - [ 0.0006106900000000, 0.0008817200000000, 0.0001026500000000 ] - [ -0.0013233400000000, -0.0003761800000000, -0.0021908900000000 ] - [ -0.0002439800000000, -0.0004374400000000, -0.0004051700000000 ] - [ 0.0009447200000000, 0.0003553800000000, -0.0003722700000000 ] - [ -0.0001617700000000, 0.0003863900000000, 0.0002323500000000 ] - [ -0.0045454100000000, -0.0043835400000000, -0.0041719800000000 ] - [ 0.0003177100000000, -0.0002797800000000, -0.0002455400000000 ] - [ -0.0036518700000000, 0.0045087400000000, -0.0097969900000000 ] - [ 0.0000098600000000, 0.0000717600000000, -0.0002782400000000 ] - [ 0.0011270300000000, -0.0002321400000000, 0.0000935300000000 ] - [ 0.0011266600000000, 0.0004080800000000, -0.0000166900000000 ] - [ 0.0019033400000000, -0.0178661200000000, -0.0185277600000000 ] - [ -0.0001092000000000, -0.0000540300000000, 0.0001216500000000 ] - [ -0.0019673400000000, -0.0011657800000000, 0.0006718500000000 ] - [ -0.0000330300000000, -0.0001027800000000, 0.0001816100000000 ] - [ -0.0006202000000000, 0.0002025700000000, -0.0023001300000000 ] - [ 0.0002027600000000, -0.0009370400000000, -0.0000063300000000 ] - [ -0.0011533700000000, 0.0000081800000000, -0.0020633800000000 ] - [ -0.0003329100000000, 0.0004924400000000, -0.0000337000000000 ] - [ 0.0003901000000000, 0.0000544700000000, -0.0000945000000000 ] - [ 0.0005849800000000, -0.0013242300000000, 0.0006467800000000 ] - [ -0.0471050100000000, -0.0277330100000000, 0.0047067800000000 ] - [ 0.0001095200000000, -0.0002886400000000, 0.0004138900000000 ] - [ -0.0019414800000000, 0.0008747000000000, -0.0006334100000000 ] - [ -0.0004376500000000, -0.0005423500000000, 0.0000046300000000 ] - [ -0.0000717800000000, 0.0000530200000000, -0.0001124100000000 ] - [ -0.0001538500000000, 0.0005859900000000, -0.0011303100000000 ] - [ -0.0046695400000000, -0.0026578400000000, 0.0075616600000000 ] - [ -0.0001303400000000, -0.0002812500000000, 0.0000438500000000 ] - [ -0.0006108900000000, -0.0013034700000000, 0.0015884500000000 ] - [ -0.0006325500000000, -0.0005436600000000, 0.0001372200000000 ] - [ 0.0008935900000000, 0.0002625700000000, 0.0001784700000000 ] - [ 0.0001631100000000, 0.0005548100000000, -0.0002614700000000 ] - [ -0.0006283500000000, -0.0005213000000000, 0.0011970100000000 ] - [ -0.0000925500000000, -0.0002056500000000, -0.0001594600000000 ] - [ -0.0053274700000000, 0.0024460000000000, 0.0305613300000000 ] - [ -0.0000672600000000, 0.0003357300000000, 0.0000264700000000 ] - [ -0.0036125100000000, 0.0013102600000000, 0.0024385100000000 ] - [ -0.0002064600000000, -0.0000360300000000, 0.0002202300000000 ] - [ -0.0004621200000000, 0.0004602400000000, -0.0000712900000000 ] - [ -0.0004492200000000, 0.0030136800000000, -0.0012480100000000 ] - [ 0.0013449200000000, 0.0014479400000000, 0.0034319700000000 ] - [ 0.0006301200000000, -0.0006523800000000, -0.0000706800000000 ] - [ 0.0005537700000000, 0.0002119500000000, 0.0008574900000000 ] - [ 0.0002089100000000, 0.0001486500000000, -0.0000222000000000 ]- atom: 87 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000699200000000, -0.0013828400000000, 0.0002101900000000 ] - [ 0.0010193500000000, -0.0003689800000000, -0.0000242500000000 ] - [ -0.0011773700000000, -0.0009953800000000, -0.0024739900000000 ] - [ 0.0006522000000000, -0.0010628300000000, 0.0002318600000000 ] - [ -0.0011718400000000, 0.0095639700000000, 0.0048299600000000 ] - [ -0.0004473600000000, -0.0013609000000000, 0.0000959300000000 ] - [ 0.0007830900000000, 0.0029943500000000, -0.0020452600000000 ] - [ -0.0001298500000000, -0.0018144800000000, -0.0001390600000000 ] - [ 0.0007518600000000, -0.0013340000000000, 0.0021910800000000 ] - [ 0.0002480600000000, -0.0015680200000000, -0.0003253500000000 ] - [ 0.0001032200000000, 0.0057543300000000, -0.0005374700000000 ] - [ -0.0004069200000000, -0.0015774200000000, -0.0000651900000000 ] - [ 0.0006254100000000, -0.0020188900000000, -0.0011595000000000 ] - [ 0.0007392200000000, -0.0018361900000000, 0.0013952600000000 ] - [ 0.0003293600000000, -0.0008805500000000, 0.0002512300000000 ] - [ -0.0009110800000000, 0.0014456300000000, -0.0003938800000000 ] - [ -0.0006590200000000, -0.0013954000000000, 0.0004242400000000 ] - [ 0.0043340300000000, -0.0030373600000000, 0.0012740900000000 ] - [ -0.0002389400000000, 0.0010734300000000, 0.0008266000000000 ] - [ -0.0006535700000000, -0.0011411300000000, -0.0007758200000000 ] - [ 0.0013630100000000, 0.0027269500000000, 0.0031949900000000 ] - [ -0.0004221800000000, -0.0015490200000000, -0.0002915100000000 ] - [ 0.0075380400000000, 0.0531883300000000, 0.0102773200000000 ] - [ -0.0006340500000000, -0.0013839400000000, -0.0002624100000000 ] - [ -0.0003243200000000, 0.0020156900000000, 0.0029096000000000 ] - [ -0.0001919800000000, -0.0008165000000000, -0.0003790500000000 ] - [ -0.0003358400000000, -0.0003941400000000, -0.0000003800000000 ] - [ 0.0003431800000000, -0.0011748900000000, -0.0016613200000000 ] - [ 0.0003333100000000, -0.0017782200000000, -0.0004397300000000 ] - [ -0.0000873500000000, -0.0016869200000000, -0.0003019700000000 ] - [ -0.0034163700000000, 0.0006032400000000, 0.0002115500000000 ] - [ 0.0004941200000000, -0.0020374700000000, 0.0000871700000000 ] - [ 0.0011660300000000, 0.0011414700000000, -0.0008494300000000 ] - [ 0.0007059100000000, -0.0010745600000000, 0.0004373400000000 ] - [ -0.0010774300000000, 0.0039873600000000, 0.0001578100000000 ] - [ 0.0000304100000000, -0.0023449300000000, 0.0002954000000000 ] - [ 0.0045744200000000, -0.0037476000000000, -0.0055573400000000 ] - [ 0.0000838000000000, -0.0018032200000000, -0.0000154900000000 ] - [ -0.0083553300000000, 0.0009135700000000, 0.0036908400000000 ] - [ 0.0002758100000000, -0.0009468600000000, -0.0003355400000000 ] - [ 0.0033722200000000, -0.0027806200000000, 0.0134887600000000 ] - [ 0.0003632000000000, -0.0017536600000000, 0.0002078300000000 ] - [ -0.0038824200000000, 0.0954043700000000, 0.0446971600000000 ] - [ 0.0001607700000000, -0.0011741200000000, 0.0002794500000000 ] - [ -0.0020240300000000, 0.0004945700000000, 0.0007709000000000 ] - [ -0.0000535100000000, -0.0019797200000000, -0.0001279300000000 ] - [ 0.0003531600000000, 0.0002429200000000, -0.0010557100000000 ] - [ -0.0001541400000000, -0.0018742700000000, 0.0002772200000000 ] - [ 0.0000148100000000, -0.0013652200000000, -0.0000732400000000 ] - [ -0.0004678500000000, -0.0001129800000000, -0.0015573600000000 ] - [ -0.0001334200000000, 0.0038893900000000, -0.0031486500000000 ] - [ 0.0000919200000000, -0.0008843800000000, 0.0007961900000000 ] - [ -0.0006137900000000, 0.0016542200000000, 0.0003794800000000 ] - [ 0.0001158300000000, -0.0015569600000000, 0.0001348400000000 ] - [ -0.0000055000000000, -0.0014415700000000, 0.0005393900000000 ] - [ -0.0055811500000000, -0.0013055200000000, 0.0041195300000000 ] - [ 0.0037885600000000, -0.0001125400000000, -0.0011676400000000 ] - [ -0.0008452200000000, 0.0005689300000000, -0.0000223800000000 ] - [ -0.0003310800000000, -0.0000062200000000, 0.0009804700000000 ] - [ 0.0000105400000000, 0.0007309400000000, -0.0011056300000000 ] - [ -0.0000960300000000, 0.0010690100000000, -0.0003729900000000 ] - [ 0.0004588100000000, -0.0001211100000000, -0.0001049400000000 ] - [ 0.0002926900000000, -0.0017613500000000, -0.0008006900000000 ] - [ -0.0002591800000000, 0.0018332200000000, 0.0000134800000000 ] - [ 0.0003175000000000, -0.0001099500000000, 0.0002298900000000 ] - [ 0.0004809200000000, 0.0006647500000000, 0.0002764900000000 ] - [ 0.0004653400000000, -0.0015206200000000, 0.0015595300000000 ] - [ -0.0002973900000000, 0.0011601400000000, 0.0000179200000000 ] - [ -0.0007864800000000, 0.0033570400000000, -0.0036115600000000 ] - [ 0.0002682800000000, 0.0016495000000000, -0.0001013300000000 ] - [ 0.0000798800000000, 0.0015583900000000, 0.0001109800000000 ] - [ 0.0007841200000000, 0.0009847800000000, 0.0000768600000000 ] - [ 0.0003996700000000, 0.0007005500000000, 0.0003641300000000 ] - [ 0.0005831200000000, 0.0003956300000000, 0.0005259100000000 ] - [ -0.0265409000000000, 0.0322533400000000, 0.0089208600000000 ] - [ 0.0002888200000000, 0.0016826200000000, -0.0005044100000000 ] - [ -0.0000212900000000, 0.0023380100000000, -0.0008424300000000 ] - [ 0.0013353700000000, 0.0021964500000000, 0.0005687700000000 ] - [ -0.0008737400000000, -0.0028360500000000, -0.0006296500000000 ] - [ 0.0000025700000000, 0.0014686400000000, 0.0003586500000000 ] - [ -0.0187543800000000, 0.0015646300000000, 0.0305423900000000 ] - [ -0.0000414400000000, 0.0005090700000000, 0.0004803400000000 ] - [ 0.0000451000000000, 0.0008103700000000, -0.0004678900000000 ] - [ 0.0019089800000000, 0.0124952100000000, -0.0021946100000000 ] - [ 0.0005313800000000, -0.0021287600000000, 0.0001443100000000 ] - [ -0.0004908600000000, 0.0010408400000000, -0.0004048800000000 ] - [ 0.0089209800000000, -0.2018770600000000, -0.1318588400000000 ] - [ -0.0001544500000000, 0.0012048400000000, 0.0003678400000000 ] - [ 0.0003749200000000, -0.0001106900000000, 0.0000220600000000 ] - [ -0.0002240700000000, 0.0003687800000000, 0.0005281300000000 ] - [ 0.0003098300000000, 0.0009688200000000, -0.0000622200000000 ] - [ -0.0010550200000000, 0.0017354300000000, 0.0012579700000000 ] - [ 0.0014828500000000, -0.0033427500000000, 0.0022924800000000 ] - [ -0.0000652100000000, 0.0007916100000000, -0.0004959400000000 ] - [ -0.0000555800000000, -0.0007258800000000, -0.0003900700000000 ] - [ -0.0000092100000000, 0.0011145000000000, 0.0005221000000000 ] - [ 0.0042536600000000, 0.0007735100000000, -0.0008332100000000 ] - [ 0.0004368800000000, 0.0004093200000000, -0.0000157800000000 ] - [ -0.0027244200000000, -0.0012501600000000, -0.0067774200000000 ] - [ -0.0000233200000000, 0.0012679300000000, 0.0000593000000000 ] - [ 0.0002748700000000, 0.0018222400000000, -0.0001497200000000 ] - [ -0.0003635800000000, 0.0018206600000000, -0.0015495700000000 ] - [ 0.0186651000000000, 0.0191460100000000, 0.0252077400000000 ] - [ -0.0000407800000000, 0.0007068400000000, 0.0003179900000000 ] - [ 0.0003673100000000, -0.0007901900000000, -0.0005750400000000 ] - [ -0.0000042700000000, 0.0006411700000000, 0.0002934400000000 ] - [ 0.0003953000000000, -0.0008716600000000, -0.0006279200000000 ] - [ 0.0000307700000000, 0.0007824200000000, 0.0006963800000000 ] - [ -0.0004912800000000, -0.0029610500000000, -0.0007899800000000 ] - [ -0.0000945400000000, 0.0021931100000000, 0.0004285300000000 ] - [ -0.0004953000000000, 0.0009366300000000, -0.0007293800000000 ] - [ 0.0000936200000000, 0.0008899900000000, -0.0027235600000000 ] - [ 0.0199128300000000, -0.0094637700000000, -0.0035867800000000 ] - [ 0.0003925100000000, 0.0005145600000000, 0.0008745700000000 ] - [ 0.0006736500000000, -0.0034757700000000, 0.0007570500000000 ] - [ -0.0005971000000000, 0.0010340400000000, -0.0003360600000000 ] - [ 0.0000641600000000, 0.0012450700000000, 0.0001113500000000 ] - [ -0.0000910300000000, -0.0002750600000000, -0.0004335100000000 ] - [ -0.0025300100000000, -0.0023912200000000, 0.0048018000000000 ] - [ -0.0001455500000000, 0.0005506900000000, -0.0003217500000000 ] - [ -0.0005930900000000, -0.0014520300000000, 0.0005100200000000 ] - [ -0.0008410200000000, 0.0003057600000000, -0.0003528500000000 ] - [ 0.0002655600000000, 0.0004605700000000, -0.0012127100000000 ] - [ 0.0002403000000000, 0.0012823200000000, 0.0002789500000000 ] - [ 0.0006168100000000, -0.0012048500000000, 0.0000329900000000 ] - [ -0.0000994100000000, 0.0006666100000000, -0.0002556800000000 ] - [ -0.0025304800000000, -0.0100151700000000, 0.0068040000000000 ] - [ -0.0000777400000000, 0.0012623800000000, -0.0006174300000000 ] - [ -0.0021175300000000, 0.0002796500000000, 0.0009034800000000 ] - [ -0.0004150100000000, 0.0006841600000000, -0.0000284800000000 ] - [ -0.0000992200000000, 0.0016713100000000, 0.0003956700000000 ] - [ -0.0033815600000000, 0.0014999300000000, -0.0024916400000000 ] - [ 0.0001825300000000, 0.0000784500000000, 0.0019213900000000 ] - [ 0.0008086600000000, 0.0001803800000000, 0.0002251200000000 ] - [ -0.0000150100000000, -0.0006217900000000, -0.0000280600000000 ] - [ 0.0003889100000000, 0.0007518000000000, 0.0001069400000000 ]- atom: 87 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004055900000000, 0.0007329800000000, -0.0001049200000000 ] - [ -0.0005426300000000, -0.0002939100000000, 0.0001343200000000 ] - [ 0.0016483100000000, 0.0016485400000000, 0.0025799400000000 ] - [ -0.0001794200000000, 0.0017171000000000, -0.0001278900000000 ] - [ 0.0004298800000000, -0.0090965000000000, -0.0052694500000000 ] - [ -0.0000268700000000, 0.0020136500000000, -0.0002005000000000 ] - [ -0.0012456800000000, -0.0036371100000000, 0.0019213100000000 ] - [ -0.0003433500000000, 0.0011591100000000, 0.0000339200000000 ] - [ -0.0003971600000000, 0.0022167700000000, -0.0024118800000000 ] - [ 0.0001045700000000, 0.0024541400000000, 0.0000938200000000 ] - [ -0.0004576300000000, -0.0048698900000000, 0.0007761400000000 ] - [ 0.0000542000000000, 0.0024614100000000, 0.0002986800000000 ] - [ -0.0000636500000000, 0.0015051300000000, 0.0006285500000000 ] - [ -0.0001712000000000, 0.0013316000000000, -0.0019252800000000 ] - [ -0.0003866500000000, 0.0022298900000000, -0.0001570300000000 ] - [ 0.0008621500000000, -0.0000905200000000, 0.0004872200000000 ] - [ 0.0004575200000000, 0.0022826300000000, -0.0006347700000000 ] - [ -0.0045610900000000, 0.0039282000000000, -0.0014923400000000 ] - [ -0.0005631500000000, -0.0012801800000000, -0.0010488300000000 ] - [ -0.0001497900000000, 0.0009226300000000, 0.0005558100000000 ] - [ -0.0016194900000000, -0.0025120000000000, -0.0033919200000000 ] - [ 0.0001677000000000, 0.0017652100000000, 0.0000992200000000 ] - [ -0.0096185900000000, -0.0540095900000000, -0.0087798400000000 ] - [ 0.0000644400000000, 0.0008754400000000, 0.0007861800000000 ] - [ 0.0003735400000000, -0.0006608100000000, -0.0029993600000000 ] - [ 0.0002503700000000, 0.0021672100000000, 0.0002868400000000 ] - [ 0.0009012400000000, 0.0009079900000000, -0.0005226600000000 ] - [ 0.0002225600000000, 0.0016789400000000, 0.0011411100000000 ] - [ 0.0000217600000000, 0.0008933300000000, 0.0002038500000000 ] - [ 0.0004396900000000, 0.0007972300000000, 0.0000646000000000 ] - [ 0.0034831200000000, -0.0019582300000000, -0.0003071200000000 ] - [ -0.0004332600000000, 0.0006855700000000, -0.0001807500000000 ] - [ -0.0003440200000000, -0.0013564900000000, 0.0010561900000000 ] - [ 0.0000962900000000, 0.0008578500000000, -0.0002175100000000 ] - [ 0.0007386000000000, -0.0048771900000000, 0.0000855300000000 ] - [ -0.0003824700000000, 0.0014585200000000, -0.0000613000000000 ] - [ -0.0043163300000000, 0.0028283000000000, 0.0056263600000000 ] - [ 0.0001122700000000, 0.0009165000000000, 0.0002298200000000 ] - [ 0.0091338900000000, -0.0006045100000000, -0.0033046300000000 ] - [ 0.0005236200000000, 0.0011623600000000, 0.0005560300000000 ] - [ -0.0031311200000000, 0.0030116900000000, -0.0131997200000000 ] - [ -0.0001089200000000, 0.0019712500000000, -0.0000143400000000 ] - [ 0.0027725400000000, -0.0915841600000000, -0.0403397600000000 ] - [ 0.0000354700000000, 0.0020610400000000, -0.0000659400000000 ] - [ 0.0019845100000000, -0.0018368400000000, -0.0006705700000000 ] - [ -0.0000070700000000, 0.0006267200000000, 0.0002206900000000 ] - [ -0.0005485100000000, -0.0011211700000000, 0.0008319800000000 ] - [ -0.0000408600000000, 0.0009852400000000, -0.0004943100000000 ] - [ 0.0002398100000000, 0.0011482100000000, 0.0002664500000000 ] - [ 0.0007157800000000, -0.0001104800000000, 0.0017300500000000 ] - [ -0.0004198000000000, -0.0033847000000000, 0.0036527100000000 ] - [ -0.0006595800000000, 0.0013918500000000, -0.0002732400000000 ] - [ 0.0003751300000000, -0.0018575300000000, -0.0005830900000000 ] - [ -0.0003699100000000, 0.0013391900000000, -0.0003282200000000 ] - [ -0.0007965200000000, 0.0016535000000000, -0.0007572100000000 ] - [ 0.0048045200000000, 0.0014958800000000, -0.0043613000000000 ] - [ -0.0044150300000000, -0.0005598400000000, 0.0016214400000000 ] - [ 0.0002276300000000, -0.0012447100000000, 0.0004708300000000 ] - [ 0.0004817600000000, -0.0006926900000000, -0.0009020800000000 ] - [ 0.0001393200000000, -0.0014279300000000, 0.0011807400000000 ] - [ 0.0007103900000000, -0.0003919100000000, -0.0000753600000000 ] - [ 0.0001424000000000, 0.0008019400000000, -0.0003412500000000 ] - [ -0.0006113700000000, 0.0029531100000000, 0.0003294600000000 ] - [ -0.0000497300000000, -0.0006390800000000, -0.0004784900000000 ] - [ 0.0003302400000000, -0.0009134900000000, -0.0002915100000000 ] - [ 0.0001765500000000, -0.0016812800000000, -0.0003353200000000 ] - [ -0.0003414700000000, 0.0021593000000000, -0.0007180100000000 ] - [ 0.0004271900000000, -0.0005171600000000, 0.0008124800000000 ] - [ 0.0012909200000000, -0.0030345500000000, 0.0036479500000000 ] - [ 0.0002383700000000, -0.0013479100000000, 0.0001589100000000 ] - [ 0.0002261200000000, -0.0003677400000000, 0.0003536500000000 ] - [ -0.0004759100000000, 0.0002126600000000, 0.0003900100000000 ] - [ 0.0001078600000000, -0.0010048600000000, -0.0003035600000000 ] - [ -0.0000719700000000, -0.0006914900000000, -0.0004586700000000 ] - [ 0.0270710300000000, -0.0304255600000000, -0.0088644700000000 ] - [ 0.0008234100000000, -0.0004492800000000, 0.0003151400000000 ] - [ 0.0006766800000000, -0.0013125800000000, 0.0007779300000000 ] - [ -0.0006807900000000, -0.0011773400000000, -0.0006300200000000 ] - [ 0.0003667200000000, 0.0031406000000000, 0.0005641500000000 ] - [ -0.0005105000000000, -0.0011633800000000, -0.0004198700000000 ] - [ 0.0185972200000000, -0.0019847600000000, -0.0306168200000000 ] - [ -0.0001095300000000, -0.0012052700000000, -0.0005513100000000 ] - [ 0.0003245800000000, -0.0009490200000000, 0.0002272900000000 ] - [ -0.0015749600000000, -0.0129090300000000, 0.0019663100000000 ] - [ -0.0010509800000000, 0.0018248500000000, -0.0002034800000000 ] - [ -0.0000173500000000, -0.0013439300000000, 0.0003440200000000 ] - [ -0.0058069200000000, 0.1994142800000000, 0.1263313200000000 ] - [ -0.0001164600000000, -0.0006600400000000, -0.0003614700000000 ] - [ -0.0001026800000000, -0.0004377800000000, -0.0000281500000000 ] - [ 0.0004960900000000, -0.0009097400000000, -0.0005350700000000 ] - [ -0.0001573200000000, -0.0002752800000000, 0.0001310900000000 ] - [ 0.0012125200000000, -0.0010371300000000, -0.0011922800000000 ] - [ -0.0018042800000000, 0.0021543800000000, -0.0027725000000000 ] - [ -0.0002441600000000, -0.0019848000000000, 0.0000298200000000 ] - [ -0.0005565000000000, 0.0013975800000000, 0.0008401600000000 ] - [ -0.0006046600000000, -0.0004364400000000, -0.0000739300000000 ] - [ -0.0036421500000000, -0.0014647100000000, 0.0003530300000000 ] - [ 0.0001818800000000, -0.0010856900000000, -0.0004339100000000 ] - [ 0.0026599000000000, 0.0015915300000000, 0.0063381700000000 ] - [ -0.0000309300000000, -0.0009130300000000, -0.0004672300000000 ] - [ 0.0000008100000000, -0.0012779800000000, 0.0001418800000000 ] - [ 0.0006395500000000, -0.0012778100000000, 0.0015499200000000 ] - [ -0.0187047000000000, -0.0191060200000000, -0.0245267800000000 ] - [ -0.0003244200000000, -0.0008444800000000, -0.0000775300000000 ] - [ -0.0003215200000000, 0.0004286100000000, 0.0009789800000000 ] - [ 0.0000587600000000, -0.0009940000000000, 0.0001137400000000 ] - [ -0.0000840400000000, -0.0003274700000000, 0.0010889900000000 ] - [ 0.0002789200000000, -0.0019765500000000, -0.0002316800000000 ] - [ -0.0001631200000000, 0.0039813800000000, 0.0008488900000000 ] - [ -0.0005621100000000, -0.0011715600000000, -0.0003675000000000 ] - [ 0.0003669200000000, -0.0015743700000000, -0.0001005500000000 ] - [ -0.0002263400000000, -0.0015318200000000, 0.0019049700000000 ] - [ -0.0198007000000000, 0.0086224700000000, 0.0044067200000000 ] - [ -0.0002624400000000, -0.0011565300000000, -0.0000437900000000 ] - [ -0.0013346800000000, 0.0024606900000000, -0.0006997400000000 ] - [ -0.0000605100000000, -0.0020540800000000, 0.0003958100000000 ] - [ -0.0000098200000000, -0.0008888900000000, 0.0002958100000000 ] - [ 0.0001443900000000, 0.0006307300000000, 0.0008431000000000 ] - [ 0.0022409800000000, 0.0018395600000000, -0.0047675800000000 ] - [ -0.0001262700000000, -0.0010958100000000, 0.0003295200000000 ] - [ -0.0005218900000000, 0.0002121500000000, -0.0003119800000000 ] - [ -0.0002722300000000, -0.0015381000000000, 0.0005436500000000 ] - [ -0.0003923800000000, 0.0001783600000000, 0.0003809000000000 ] - [ -0.0003697600000000, -0.0006382800000000, -0.0011091700000000 ] - [ -0.0006712600000000, 0.0008495300000000, -0.0004312500000000 ] - [ 0.0000438900000000, -0.0010218200000000, -0.0001526900000000 ] - [ 0.0024004000000000, 0.0106294200000000, -0.0068631500000000 ] - [ -0.0000732200000000, -0.0005663500000000, 0.0005469600000000 ] - [ 0.0017106800000000, -0.0001253900000000, -0.0006422500000000 ] - [ 0.0000484700000000, -0.0005466600000000, 0.0002694300000000 ] - [ -0.0010123300000000, -0.0004377200000000, -0.0002069600000000 ] - [ 0.0022889100000000, -0.0002760500000000, 0.0026890200000000 ] - [ 0.0009395100000000, -0.0012868100000000, -0.0020771200000000 ] - [ 0.0003038800000000, -0.0014143900000000, -0.0004150200000000 ] - [ 0.0003808500000000, 0.0007553500000000, -0.0002083100000000 ] - [ -0.0000205900000000, -0.0006111200000000, -0.0003459900000000 ]- atom: 87 displacement: [ -0.0045139598196510, 0.0000000000000000, 0.0089232374588249 ] forces: - [ 0.0003633600000000, -0.0001787500000000, 0.0000723400000000 ] - [ 0.0012882600000000, -0.0014025200000000, 0.0008107000000000 ] - [ -0.0017046400000000, -0.0005215200000000, -0.0014757800000000 ] - [ 0.0001888000000000, -0.0000697400000000, -0.0000651600000000 ] - [ -0.0064361200000000, 0.0042048300000000, 0.0116068800000000 ] - [ -0.0003609800000000, -0.0003553200000000, 0.0000714200000000 ] - [ 0.0059275300000000, -0.0001745100000000, -0.0027626200000000 ] - [ -0.0001496400000000, -0.0008919300000000, -0.0001401100000000 ] - [ 0.0004709900000000, -0.0001711400000000, 0.0020164500000000 ] - [ 0.0003189000000000, -0.0009000000000000, 0.0003294500000000 ] - [ -0.0007691200000000, 0.0024315800000000, -0.0011477600000000 ] - [ -0.0002686500000000, -0.0003306600000000, 0.0000653800000000 ] - [ 0.0001744400000000, -0.0017959900000000, -0.0010925800000000 ] - [ -0.0001576800000000, 0.0001311900000000, -0.0004256500000000 ] - [ 0.0002499800000000, 0.0000309100000000, 0.0001697000000000 ] - [ -0.0005887600000000, 0.0006379600000000, -0.0007660200000000 ] - [ -0.0009670100000000, -0.0002976600000000, 0.0008997700000000 ] - [ -0.0013953200000000, 0.0001471900000000, 0.0009395900000000 ] - [ 0.0005920700000000, 0.0014351000000000, -0.0015395100000000 ] - [ -0.0004901700000000, -0.0006931600000000, -0.0004757500000000 ] - [ -0.0007204400000000, 0.0014292700000000, 0.0004103100000000 ] - [ -0.0002608600000000, -0.0005287300000000, -0.0001291800000000 ] - [ -0.1780908000000000, -0.0028336400000000, 0.1428893700000000 ] - [ -0.0004665600000000, -0.0006646300000000, 0.0001384200000000 ] - [ -0.0006069100000000, 0.0018176000000000, 0.0005659400000000 ] - [ -0.0001127100000000, 0.0000270500000000, -0.0000937000000000 ] - [ 0.0004561500000000, 0.0011917300000000, -0.0001341000000000 ] - [ 0.0001898700000000, -0.0008182900000000, -0.0004363900000000 ] - [ 0.0005194200000000, -0.0008050500000000, -0.0002769100000000 ] - [ 0.0000754200000000, -0.0008601300000000, -0.0010683800000000 ] - [ 0.0020370900000000, -0.0005506800000000, -0.0006768100000000 ] - [ 0.0004144500000000, -0.0011231400000000, -0.0000435700000000 ] - [ 0.0038316200000000, 0.0025024600000000, -0.0052824700000000 ] - [ 0.0005818800000000, -0.0004465400000000, 0.0001159500000000 ] - [ 0.0023201100000000, 0.0000293900000000, 0.0015416300000000 ] - [ -0.0000913400000000, -0.0011374600000000, 0.0001946400000000 ] - [ 0.0125767400000000, -0.0084202100000000, -0.0242566400000000 ] - [ 0.0000717600000000, -0.0008610800000000, 0.0000536800000000 ] - [ -0.0118573700000000, 0.0106429000000000, 0.0237324000000000 ] - [ 0.0002721800000000, -0.0002642100000000, 0.0000247800000000 ] - [ 0.0030546500000000, -0.0017486900000000, 0.0153988400000000 ] - [ 0.0001897500000000, -0.0004407100000000, 0.0002348900000000 ] - [ -0.0296234200000000, 0.0464245600000000, 0.0759062800000000 ] - [ 0.0001013300000000, -0.0000648800000000, 0.0001478300000000 ] - [ 0.0019729900000000, 0.0004201000000000, 0.0013105000000000 ] - [ -0.0000973700000000, -0.0011822000000000, 0.0000374700000000 ] - [ 0.0001678300000000, -0.0000704500000000, -0.0022289200000000 ] - [ 0.0002062800000000, -0.0010938700000000, -0.0005468100000000 ] - [ 0.0001444300000000, -0.0005033100000000, -0.0000627200000000 ] - [ -0.0009091000000000, -0.0004139000000000, -0.0046843100000000 ] - [ 0.0006867500000000, 0.0135518100000000, -0.0186506900000000 ] - [ -0.0001134300000000, -0.0001718000000000, 0.0003813500000000 ] - [ 0.0015282600000000, 0.0021524000000000, -0.0021123200000000 ] - [ -0.0000242900000000, -0.0007088900000000, -0.0000232300000000 ] - [ -0.0002390700000000, -0.0009049500000000, 0.0004181100000000 ] - [ -0.0015182800000000, 0.0031730900000000, 0.0000281100000000 ] - [ -0.0016642600000000, -0.0029114700000000, -0.0004524700000000 ] - [ -0.0006751000000000, 0.0001045900000000, 0.0000926300000000 ] - [ -0.0000593600000000, -0.0000630900000000, 0.0011961300000000 ] - [ 0.0000735100000000, -0.0003109400000000, 0.0002563400000000 ] - [ 0.0000570500000000, 0.0005967300000000, -0.0002144400000000 ] - [ -0.0006105300000000, 0.0000337900000000, 0.0006878400000000 ] - [ -0.0018080000000000, -0.0003195700000000, -0.0015064700000000 ] - [ -0.0001905700000000, 0.0010633300000000, -0.0001602900000000 ] - [ -0.0006937600000000, -0.0005016300000000, -0.0003433800000000 ] - [ 0.0004129300000000, 0.0000054800000000, 0.0002365600000000 ] - [ 0.0017710700000000, -0.0041379100000000, 0.0063883800000000 ] - [ -0.0000837900000000, 0.0006298800000000, 0.0003413600000000 ] - [ -0.0011518700000000, 0.0027447500000000, -0.0037750200000000 ] - [ 0.0001375300000000, 0.0006247700000000, -0.0003596100000000 ] - [ -0.0000270100000000, 0.0008323300000000, 0.0001808900000000 ] - [ -0.0004089700000000, 0.0002572700000000, 0.0005180700000000 ] - [ 0.0002358100000000, 0.0000541500000000, 0.0001763500000000 ] - [ 0.0008366500000000, 0.0008525200000000, 0.0013923200000000 ] - [ -0.0134991800000000, 0.0299654800000000, -0.0037549600000000 ] - [ 0.0004610900000000, 0.0009147300000000, -0.0002792200000000 ] - [ 0.0001282100000000, 0.0014387400000000, -0.0006418100000000 ] - [ 0.0009842500000000, 0.0019711700000000, 0.0001133700000000 ] - [ 0.0003184100000000, -0.0006755800000000, -0.0000286500000000 ] - [ -0.0001629300000000, 0.0006438400000000, 0.0001051700000000 ] - [ -0.0338645000000000, 0.0333430100000000, 0.0729653500000000 ] - [ -0.0000222100000000, -0.0000596500000000, 0.0001047400000000 ] - [ 0.0003344200000000, 0.0003344600000000, -0.0004270700000000 ] - [ 0.0018256900000000, -0.0016774700000000, -0.0026889400000000 ] - [ -0.0017348100000000, -0.0009211300000000, 0.0002687100000000 ] - [ -0.0003495600000000, 0.0003066100000000, -0.0001718800000000 ] - [ 0.2909194700000000, -0.1207382900000000, -0.3487525600000000 ] - [ -0.0000912700000000, 0.0006119300000000, 0.0001004200000000 ] - [ -0.0000073300000000, -0.0003615300000000, 0.0004842700000000 ] - [ -0.0000529200000000, 0.0003552900000000, 0.0002461900000000 ] - [ 0.0003219300000000, 0.0000885600000000, -0.0004430800000000 ] - [ 0.0003046100000000, 0.0009951500000000, -0.0003675400000000 ] - [ 0.0009360900000000, -0.0016612500000000, 0.0013515300000000 ] - [ -0.0001469500000000, -0.0000446500000000, -0.0003554800000000 ] - [ -0.0001841900000000, -0.0006966000000000, 0.0008444700000000 ] - [ -0.0001448100000000, 0.0007038700000000, 0.0003565800000000 ] - [ 0.0015499900000000, -0.0029527900000000, -0.0041538400000000 ] - [ 0.0004304300000000, -0.0000703000000000, -0.0001922000000000 ] - [ 0.0024101500000000, -0.0040419500000000, -0.0041887800000000 ] - [ -0.0000050800000000, 0.0005380100000000, -0.0002161600000000 ] - [ 0.0005899100000000, 0.0014319000000000, -0.0002120800000000 ] - [ 0.0004918900000000, 0.0004740900000000, -0.0002683100000000 ] - [ 0.0225796500000000, 0.0191891600000000, 0.0054993800000000 ] - [ -0.0000818900000000, 0.0001509700000000, 0.0001586100000000 ] - [ -0.0008562900000000, -0.0011089100000000, -0.0000514000000000 ] - [ -0.0000054500000000, 0.0001974600000000, 0.0002074100000000 ] - [ 0.0004238000000000, -0.0014200600000000, -0.0004238100000000 ] - [ 0.0001306900000000, 0.0001023400000000, 0.0003777700000000 ] - [ -0.0000387400000000, -0.0006881500000000, -0.0000723500000000 ] - [ -0.0002087000000000, 0.0011606500000000, 0.0001925500000000 ] - [ -0.0002724600000000, 0.0005782100000000, -0.0005925900000000 ] - [ 0.0003100400000000, -0.0008281100000000, -0.0001807800000000 ] - [ -0.0318707200000000, -0.0196384600000000, -0.0137670200000000 ] - [ 0.0001996200000000, -0.0000126400000000, 0.0005416300000000 ] - [ -0.0012184200000000, -0.0005181600000000, -0.0003859200000000 ] - [ -0.0004873700000000, 0.0000284400000000, -0.0001208200000000 ] - [ 0.0000696000000000, 0.0006107000000000, 0.0001433500000000 ] - [ 0.0001415900000000, 0.0000162400000000, 0.0005032400000000 ] - [ -0.0089275800000000, -0.0056315900000000, 0.0144075400000000 ] - [ -0.0001633300000000, 0.0000064200000000, -0.0000681600000000 ] - [ -0.0006394800000000, -0.0014277800000000, 0.0019935700000000 ] - [ -0.0007376300000000, -0.0002377100000000, 0.0000341700000000 ] - [ -0.0000282700000000, -0.0004324700000000, -0.0001353200000000 ] - [ 0.0001548900000000, 0.0008676000000000, -0.0001462800000000 ] - [ -0.0003177000000000, -0.0013295600000000, 0.0018499800000000 ] - [ -0.0000980700000000, 0.0000889800000000, -0.0001716800000000 ] - [ -0.0216908700000000, 0.0053319200000000, 0.0543085600000000 ] - [ -0.0000870400000000, 0.0006575900000000, -0.0001917100000000 ] - [ -0.0076426500000000, 0.0021728900000000, 0.0045347300000000 ] - [ -0.0002942600000000, 0.0002191100000000, 0.0001317500000000 ] - [ -0.0002391700000000, 0.0010264900000000, 0.0000502400000000 ] - [ 0.0001062200000000, 0.0004473500000000, -0.0012506300000000 ] - [ 0.0008714800000000, 0.0026301300000000, 0.0066492600000000 ] - [ 0.0006626600000000, -0.0003896400000000, 0.0000633200000000 ] - [ -0.0007741500000000, 0.0000505500000000, 0.0014495500000000 ] - [ 0.0001845600000000, 0.0003786600000000, 0.0000943400000000 ]- atom: 87 displacement: [ 0.0045139598196510, 0.0000000000000000, -0.0089232374588249 ] forces: - [ 0.0001107000000000, -0.0004750500000000, 0.0000307300000000 ] - [ -0.0008179100000000, 0.0007602100000000, -0.0007219600000000 ] - [ 0.0021838400000000, 0.0011815800000000, 0.0015868400000000 ] - [ 0.0002873600000000, 0.0007234100000000, 0.0001711600000000 ] - [ 0.0058998800000000, -0.0036397500000000, -0.0117965700000000 ] - [ -0.0001124200000000, 0.0010109900000000, -0.0001755400000000 ] - [ -0.0063682600000000, -0.0005074600000000, 0.0026785500000000 ] - [ -0.0003256900000000, 0.0002413000000000, 0.0000363300000000 ] - [ -0.0001215200000000, 0.0010670300000000, -0.0022579900000000 ] - [ 0.0000341100000000, 0.0017833600000000, -0.0005683200000000 ] - [ 0.0004159400000000, -0.0015505900000000, 0.0013780200000000 ] - [ -0.0000824900000000, 0.0012177800000000, 0.0001700500000000 ] - [ 0.0003902900000000, 0.0012885300000000, 0.0005726600000000 ] - [ 0.0007218000000000, -0.0006409000000000, -0.0000859200000000 ] - [ -0.0003093900000000, 0.0013248800000000, -0.0000775200000000 ] - [ 0.0005077400000000, 0.0007102200000000, 0.0008642000000000 ] - [ 0.0007718200000000, 0.0011874700000000, -0.0011163500000000 ] - [ 0.0012320600000000, 0.0007130800000000, -0.0011554800000000 ] - [ -0.0013824500000000, -0.0016656800000000, 0.0013078600000000 ] - [ -0.0003125200000000, 0.0004802500000000, 0.0002546000000000 ] - [ 0.0004689800000000, -0.0012070200000000, -0.0005725800000000 ] - [ 0.0000083600000000, 0.0007486600000000, -0.0000613100000000 ] - [ 0.1912679500000000, 0.0024308700000000, -0.1502337900000000 ] - [ -0.0001004100000000, 0.0001583400000000, 0.0003855100000000 ] - [ 0.0006888200000000, -0.0004616700000000, -0.0007132100000000 ] - [ 0.0001724900000000, 0.0013267000000000, -0.0000002800000000 ] - [ 0.0001155400000000, -0.0006853300000000, -0.0003932700000000 ] - [ 0.0003838800000000, 0.0013320200000000, -0.0000978700000000 ] - [ -0.0001683600000000, -0.0000838200000000, 0.0000404700000000 ] - [ 0.0002784300000000, -0.0000194300000000, 0.0008437400000000 ] - [ -0.0019903900000000, -0.0007973200000000, 0.0006018400000000 ] - [ -0.0003583000000000, -0.0002290600000000, -0.0000497600000000 ] - [ -0.0030622900000000, -0.0027082400000000, 0.0055015200000000 ] - [ 0.0002205800000000, 0.0002303900000000, 0.0001063300000000 ] - [ -0.0026761200000000, -0.0009177200000000, -0.0013013200000000 ] - [ -0.0002600600000000, 0.0002552500000000, 0.0000413200000000 ] - [ -0.0124346600000000, 0.0075740100000000, 0.0245654700000000 ] - [ 0.0001268300000000, -0.0000258600000000, 0.0001586300000000 ] - [ 0.0127204500000000, -0.0104162600000000, -0.0235401700000000 ] - [ 0.0005325200000000, 0.0004816300000000, 0.0001967100000000 ] - [ -0.0028172500000000, 0.0020311200000000, -0.0151794300000000 ] - [ 0.0000641000000000, 0.0006558000000000, -0.0000459400000000 ] - [ 0.0286017000000000, -0.0404504400000000, -0.0712059200000000 ] - [ 0.0000969700000000, 0.0009531500000000, 0.0000648600000000 ] - [ -0.0020252000000000, -0.0017794700000000, -0.0012149000000000 ] - [ 0.0000429000000000, -0.0001672200000000, 0.0000560500000000 ] - [ -0.0003738200000000, -0.0008311100000000, 0.0020166000000000 ] - [ -0.0004072600000000, 0.0002109400000000, 0.0003394900000000 ] - [ 0.0001090500000000, 0.0002854000000000, 0.0002521100000000 ] - [ 0.0011749800000000, 0.0002149700000000, 0.0049103900000000 ] - [ -0.0012975100000000, -0.0129837000000000, 0.0191595300000000 ] - [ -0.0004553900000000, 0.0006804900000000, 0.0001425300000000 ] - [ -0.0017819600000000, -0.0023735500000000, 0.0019128200000000 ] - [ -0.0002290100000000, 0.0004945700000000, -0.0001663700000000 ] - [ -0.0005662100000000, 0.0011242200000000, -0.0006392500000000 ] - [ 0.0006657600000000, -0.0029537500000000, -0.0002061500000000 ] - [ 0.0010596100000000, 0.0022132600000000, 0.0008928400000000 ] - [ 0.0000638200000000, -0.0007862700000000, 0.0003584100000000 ] - [ 0.0002105800000000, -0.0006283700000000, -0.0011350800000000 ] - [ 0.0000738000000000, -0.0003832200000000, -0.0001940100000000 ] - [ 0.0005587800000000, 0.0000821800000000, -0.0002371700000000 ] - [ 0.0012571800000000, 0.0006333400000000, -0.0011363300000000 ] - [ 0.0014955300000000, 0.0015171300000000, 0.0010344200000000 ] - [ -0.0001192700000000, 0.0001267100000000, -0.0003086800000000 ] - [ 0.0013506000000000, -0.0005116100000000, 0.0002818700000000 ] - [ 0.0002428700000000, -0.0010317700000000, -0.0002991500000000 ] - [ -0.0016177800000000, 0.0047605700000000, -0.0055447600000000 ] - [ 0.0002047900000000, 0.0000119100000000, 0.0004924100000000 ] - [ 0.0016600500000000, -0.0024497200000000, 0.0038303000000000 ] - [ 0.0003752200000000, -0.0003191800000000, 0.0004216800000000 ] - [ 0.0003385400000000, 0.0003631700000000, 0.0002864500000000 ] - [ 0.0007225300000000, 0.0009380000000000, -0.0000544400000000 ] - [ 0.0002749200000000, -0.0003558400000000, -0.0001150000000000 ] - [ -0.0003322300000000, -0.0011739300000000, -0.0013447500000000 ] - [ 0.0146581500000000, -0.0285813700000000, 0.0033924200000000 ] - [ 0.0006576400000000, 0.0003160700000000, 0.0000909400000000 ] - [ 0.0005299100000000, -0.0004239300000000, 0.0005822800000000 ] - [ -0.0003172800000000, -0.0009453900000000, -0.0001693400000000 ] - [ -0.0008282600000000, 0.0009788400000000, -0.0000333100000000 ] - [ -0.0003479400000000, -0.0003421000000000, -0.0001663000000000 ] - [ 0.0345821700000000, -0.0347350800000000, -0.0744642600000000 ] - [ -0.0001233700000000, -0.0006361500000000, -0.0001745600000000 ] - [ 0.0000357000000000, -0.0004782400000000, 0.0001932100000000 ] - [ -0.0014371600000000, 0.0016475800000000, 0.0024276200000000 ] - [ 0.0012247800000000, 0.0006245400000000, -0.0003281300000000 ] - [ -0.0001600700000000, -0.0006141000000000, 0.0001094700000000 ] - [ -0.3043040700000000, 0.1163080000000000, 0.3527328200000000 ] - [ -0.0001756300000000, -0.0000617100000000, -0.0000912000000000 ] - [ 0.0002733300000000, -0.0001846200000000, -0.0004902200000000 ] - [ 0.0003182600000000, -0.0009125500000000, -0.0002529800000000 ] - [ -0.0001764700000000, 0.0006075400000000, 0.0005141300000000 ] - [ -0.0001673500000000, -0.0002992200000000, 0.0004505300000000 ] - [ -0.0012304000000000, 0.0004682800000000, -0.0018075200000000 ] - [ -0.0001633400000000, -0.0011526800000000, -0.0001132400000000 ] - [ -0.0004515000000000, 0.0013855300000000, -0.0003801400000000 ] - [ -0.0004712100000000, -0.0000256700000000, 0.0000957200000000 ] - [ -0.0009359700000000, 0.0022811900000000, 0.0037102100000000 ] - [ 0.0001829000000000, -0.0006115500000000, -0.0002602900000000 ] - [ -0.0024329600000000, 0.0043457600000000, 0.0038441100000000 ] - [ -0.0000466600000000, -0.0001812900000000, -0.0001905500000000 ] - [ -0.0003214300000000, -0.0008862900000000, 0.0002032000000000 ] - [ -0.0002245400000000, 0.0000854000000000, 0.0002462600000000 ] - [ -0.0229350300000000, -0.0193534800000000, -0.0054428500000000 ] - [ -0.0002865700000000, -0.0002930000000000, 0.0000754400000000 ] - [ 0.0009070200000000, 0.0007562100000000, 0.0004611000000000 ] - [ 0.0000576000000000, -0.0005569900000000, 0.0001993400000000 ] - [ -0.0001146700000000, 0.0002176600000000, 0.0009020700000000 ] - [ 0.0001797300000000, -0.0012978000000000, 0.0000925800000000 ] - [ -0.0006171600000000, 0.0017149100000000, 0.0001419600000000 ] - [ -0.0004486000000000, -0.0001417000000000, -0.0001324100000000 ] - [ 0.0001510600000000, -0.0012206300000000, -0.0002413100000000 ] - [ -0.0004281100000000, 0.0001873000000000, -0.0006724000000000 ] - [ 0.0320665400000000, 0.0190083400000000, 0.0148551200000000 ] - [ -0.0000778100000000, -0.0006317800000000, 0.0002906300000000 ] - [ 0.0005655700000000, -0.0005014600000000, 0.0004446800000000 ] - [ -0.0001680400000000, -0.0010510100000000, 0.0001813300000000 ] - [ -0.0000173300000000, -0.0002557700000000, 0.0002655500000000 ] - [ -0.0000864600000000, 0.0003421900000000, -0.0001069700000000 ] - [ 0.0086612600000000, 0.0050654600000000, -0.0144208300000000 ] - [ -0.0001026400000000, -0.0005593500000000, 0.0000774500000000 ] - [ -0.0004742000000000, 0.0002049600000000, -0.0018022000000000 ] - [ -0.0003787500000000, -0.0009962100000000, 0.0001534900000000 ] - [ -0.0000953100000000, 0.0010775300000000, -0.0006908600000000 ] - [ -0.0002790900000000, -0.0002278600000000, -0.0006863100000000 ] - [ 0.0002626000000000, 0.0009699400000000, -0.0022802600000000 ] - [ 0.0000470500000000, -0.0004477600000000, -0.0002369900000000 ] - [ 0.0210956800000000, -0.0043217900000000, -0.0534216400000000 ] - [ -0.0000582400000000, 0.0000357700000000, 0.0001224500000000 ] - [ 0.0073410700000000, -0.0020633700000000, -0.0043121100000000 ] - [ -0.0000725600000000, -0.0000780700000000, 0.0001023200000000 ] - [ -0.0008802700000000, 0.0002030100000000, 0.0001392400000000 ] - [ -0.0012451300000000, 0.0008038600000000, 0.0014191900000000 ] - [ 0.0002233000000000, -0.0039042100000000, -0.0068857600000000 ] - [ 0.0004556300000000, -0.0008412400000000, -0.0002518800000000 ] - [ 0.0011403800000000, 0.0001040400000000, -0.0016794000000000 ] - [ 0.0001857000000000, -0.0002391400000000, -0.0003293600000000 ]- atom: 99 displacement: [ 0.0099999786541794, 0.0000000000000000, -0.0000206619446251 ] forces: - [ -0.0004507200000000, -0.0003024300000000, -0.0000415000000000 ] - [ -0.0001087600000000, -0.0005220100000000, -0.0000617000000000 ] - [ -0.0016229500000000, 0.0012336900000000, -0.0021519500000000 ] - [ 0.0001673000000000, 0.0002223500000000, -0.0000113600000000 ] - [ 0.0046854200000000, 0.0014331000000000, 0.0006440800000000 ] - [ 0.0000766600000000, 0.0005791300000000, 0.0000805300000000 ] - [ 0.0001470800000000, 0.0012505100000000, 0.0021887300000000 ] - [ -0.0002154800000000, -0.0003759200000000, -0.0000357700000000 ] - [ 0.0012123800000000, 0.0036707000000000, 0.0014494600000000 ] - [ 0.0002574200000000, 0.0002043500000000, -0.0000431600000000 ] - [ -0.0009030700000000, -0.0046962600000000, -0.0015333400000000 ] - [ -0.0001768400000000, 0.0005718900000000, -0.0000233800000000 ] - [ 0.0000847700000000, -0.0008231200000000, -0.0001681000000000 ] - [ 0.0001685600000000, -0.0001598900000000, -0.0003323800000000 ] - [ -0.0006798500000000, 0.0014454400000000, -0.0004692700000000 ] - [ -0.0006776200000000, -0.0009473700000000, 0.0002826500000000 ] - [ 0.0004047200000000, -0.0002404900000000, -0.0007931600000000 ] - [ -0.0004379200000000, 0.0005822000000000, -0.0003742700000000 ] - [ -0.0068180900000000, -0.0036999400000000, -0.0002716700000000 ] - [ -0.0003597600000000, -0.0000663600000000, -0.0000845200000000 ] - [ -0.0006511500000000, -0.0008721000000000, -0.0008954600000000 ] - [ -0.0002340600000000, 0.0002450300000000, -0.0006426200000000 ] - [ -0.0042579900000000, 0.0000539200000000, -0.0001282200000000 ] - [ -0.0002585100000000, -0.0003124700000000, 0.0001918100000000 ] - [ 0.0450343300000000, 0.0027277500000000, -0.0016997300000000 ] - [ 0.0001218000000000, 0.0006469000000000, -0.0000345300000000 ] - [ -0.0028461400000000, -0.0021722600000000, -0.0021896600000000 ] - [ 0.0002591500000000, 0.0003785700000000, -0.0002326500000000 ] - [ 0.0003831000000000, -0.0008315300000000, 0.0002850800000000 ] - [ 0.0002295700000000, -0.0004746400000000, 0.0000996300000000 ] - [ 0.0005995200000000, -0.0011366300000000, 0.0008204200000000 ] - [ -0.0000742200000000, -0.0007483200000000, 0.0001259600000000 ] - [ -0.0005660100000000, -0.0000405000000000, -0.0002864600000000 ] - [ 0.0000130800000000, -0.0000460200000000, 0.0001192700000000 ] - [ -0.0011301400000000, -0.0016483200000000, 0.0028089600000000 ] - [ -0.0001792200000000, -0.0004889700000000, 0.0001420800000000 ] - [ -0.0010625200000000, 0.0010937700000000, 0.0011777700000000 ] - [ 0.0000164500000000, -0.0006782200000000, 0.0000501500000000 ] - [ -0.0010837400000000, -0.0006455400000000, -0.0012633000000000 ] - [ 0.0003874700000000, 0.0000971100000000, 0.0000666800000000 ] - [ 0.0444782400000000, 0.0035077700000000, 0.0091759800000000 ] - [ 0.0001589000000000, 0.0000722200000000, 0.0001486700000000 ] - [ -0.0012779000000000, 0.0003796800000000, -0.0033347500000000 ] - [ 0.0000830300000000, 0.0004145500000000, 0.0001294700000000 ] - [ -0.0001774200000000, 0.0001394000000000, 0.0017253700000000 ] - [ -0.0000185300000000, -0.0006985200000000, 0.0000502000000000 ] - [ -0.0033250200000000, -0.0001727700000000, -0.0007624800000000 ] - [ -0.0001443800000000, -0.0004181800000000, -0.0000916400000000 ] - [ 0.0001793900000000, -0.0004804400000000, 0.0001619000000000 ] - [ 0.0004208500000000, 0.0001681600000000, 0.0006078500000000 ] - [ -0.0014847100000000, 0.0011313300000000, -0.0006397300000000 ] - [ -0.0003643600000000, 0.0002370100000000, 0.0003025900000000 ] - [ -0.0032930300000000, 0.0017255400000000, -0.0010653600000000 ] - [ -0.0001446100000000, -0.0001255600000000, -0.0001115900000000 ] - [ -0.0002379900000000, 0.0001833400000000, 0.0005182700000000 ] - [ 0.0001272700000000, 0.0002127800000000, -0.0001678000000000 ] - [ -0.0009082200000000, -0.0001259100000000, 0.0000447200000000 ] - [ -0.0003198200000000, -0.0003534400000000, -0.0000032800000000 ] - [ 0.0009792000000000, -0.0001634700000000, -0.0000105300000000 ] - [ 0.0001295800000000, -0.0003644100000000, 0.0000685300000000 ] - [ 0.0008536600000000, 0.0001640700000000, -0.0001982600000000 ] - [ 0.0010380600000000, 0.0004358800000000, -0.0001472000000000 ] - [ -0.0002519700000000, 0.0000837100000000, -0.0015446600000000 ] - [ -0.0001676500000000, 0.0006227600000000, -0.0002343200000000 ] - [ -0.0002565800000000, -0.0004391700000000, -0.0010509000000000 ] - [ 0.0003179100000000, -0.0004958600000000, -0.0000683700000000 ] - [ 0.0010070200000000, -0.0001435500000000, 0.0009877900000000 ] - [ 0.0001638800000000, 0.0002895600000000, 0.0004324900000000 ] - [ -0.0127584500000000, -0.0082717700000000, -0.0025637200000000 ] - [ 0.0001937100000000, 0.0002347900000000, -0.0000655900000000 ] - [ 0.0001845500000000, 0.0007562300000000, -0.0000127300000000 ] - [ 0.0000655700000000, 0.0007708000000000, 0.0000238500000000 ] - [ 0.0000155500000000, 0.0002314200000000, -0.0001284400000000 ] - [ 0.0001153800000000, -0.0003623300000000, -0.0001661300000000 ] - [ -0.0072890600000000, 0.0033726500000000, 0.0108932100000000 ] - [ 0.0005408600000000, 0.0006386000000000, -0.0001360600000000 ] - [ 0.0012291400000000, -0.0014081100000000, -0.0000055600000000 ] - [ 0.0000899100000000, 0.0009516900000000, -0.0003455600000000 ] - [ 0.0006370000000000, 0.0020022700000000, 0.0015283900000000 ] - [ -0.0002348000000000, 0.0000962800000000, 0.0001099800000000 ] - [ 0.0012265500000000, -0.0018955100000000, -0.0003936800000000 ] - [ -0.0001291900000000, -0.0002636200000000, 0.0000486500000000 ] - [ -0.0002342200000000, -0.0000811100000000, -0.0002786200000000 ] - [ 0.0000608500000000, -0.0003777900000000, 0.0000396700000000 ] - [ 0.0024449200000000, 0.0000453700000000, -0.0011307900000000 ] - [ -0.0002408100000000, -0.0001322000000000, -0.0000445200000000 ] - [ 0.0034822300000000, -0.0024184500000000, 0.0045909300000000 ] - [ -0.0001730700000000, 0.0002744700000000, 0.0000060200000000 ] - [ 0.0021428300000000, 0.0000759800000000, 0.0000248400000000 ] - [ 0.0001962700000000, -0.0003056800000000, -0.0000070700000000 ] - [ 0.0005369900000000, 0.0013419100000000, 0.0012261200000000 ] - [ 0.0001694100000000, 0.0002873600000000, 0.0000845700000000 ] - [ -0.0003008900000000, 0.0022718500000000, 0.0000603300000000 ] - [ -0.0001410800000000, -0.0009051000000000, -0.0000966000000000 ] - [ 0.0115028900000000, 0.0073127400000000, -0.0284065900000000 ] - [ -0.0003784500000000, 0.0003322100000000, 0.0002239800000000 ] - [ 0.0011864700000000, -0.0001480100000000, 0.0002292900000000 ] - [ 0.0003110000000000, -0.0003247700000000, -0.0001992500000000 ] - [ -0.0782717400000000, 0.0025161200000000, -0.0150871000000000 ] - [ -0.0000499800000000, 0.0001773000000000, -0.0002283000000000 ] - [ 0.0003136400000000, 0.0003892100000000, 0.0002151600000000 ] - [ 0.0002347700000000, 0.0002348400000000, 0.0000974500000000 ] - [ 0.0010697100000000, 0.0006655300000000, 0.0010232400000000 ] - [ -0.0001673300000000, -0.0000618300000000, 0.0001374900000000 ] - [ 0.0009663200000000, -0.0007855300000000, -0.0004878500000000 ] - [ 0.0000370300000000, -0.0001559200000000, 0.0002065800000000 ] - [ -0.0051891500000000, -0.0129425900000000, 0.0092318800000000 ] - [ 0.0001266200000000, -0.0004932500000000, 0.0002435300000000 ] - [ -0.0020003300000000, 0.0029924300000000, 0.0156549800000000 ] - [ -0.0003497400000000, 0.0004444300000000, 0.0000456800000000 ] - [ -0.0001224000000000, -0.0000367100000000, -0.0006809400000000 ] - [ -0.0001006700000000, -0.0003857100000000, -0.0003894200000000 ] - [ 0.0016635000000000, 0.0005267900000000, 0.0012123400000000 ] - [ 0.0000761200000000, -0.0002944000000000, 0.0004496600000000 ] - [ -0.0004075700000000, 0.0004141600000000, -0.0006601800000000 ] - [ -0.0003014900000000, -0.0004383700000000, -0.0000212400000000 ] - [ 0.0002399700000000, -0.0002136500000000, 0.0006872600000000 ] - [ 0.0002382200000000, 0.0008015800000000, 0.0005106700000000 ] - [ 0.0004699400000000, -0.0009143100000000, -0.0000270100000000 ] - [ -0.0000696700000000, -0.0002023400000000, -0.0000463100000000 ] - [ 0.0013633900000000, -0.0017236200000000, 0.0013814200000000 ] - [ -0.0005241600000000, -0.0006229400000000, 0.0000992300000000 ] - [ 0.0039759900000000, 0.0053695300000000, -0.0000571900000000 ] - [ -0.0000889800000000, 0.0002769100000000, -0.0004367700000000 ] - [ -0.0002871700000000, -0.0003155700000000, -0.0006951200000000 ] - [ -0.0000189600000000, -0.0000056000000000, -0.0003833200000000 ] - [ 0.0002400300000000, -0.0005874200000000, 0.0011661900000000 ] - [ -0.0000576900000000, 0.0003701900000000, -0.0000704900000000 ] - [ 0.0008547000000000, -0.0003190000000000, 0.0001151300000000 ] - [ 0.0000324100000000, 0.0001746400000000, 0.0000546300000000 ] - [ -0.0004848700000000, 0.0008751400000000, 0.0005162600000000 ] - [ -0.0001248000000000, 0.0008062300000000, 0.0008110900000000 ] - [ 0.0003738500000000, -0.0012119300000000, -0.0006661800000000 ] - [ 0.0005203100000000, -0.0003590400000000, -0.0000900200000000 ] - [ 0.0041664100000000, 0.0005751300000000, -0.0005090000000000 ] - [ 0.0001828300000000, 0.0000638700000000, -0.0001204300000000 ]- atom: 99 displacement: [ -0.0099999786541794, 0.0000000000000000, 0.0000206619446251 ] forces: - [ 0.0009192800000000, -0.0003587300000000, 0.0001453800000000 ] - [ 0.0005850100000000, -0.0001239800000000, 0.0001665000000000 ] - [ 0.0020869100000000, -0.0005880800000000, 0.0022501200000000 ] - [ 0.0003064800000000, 0.0004374500000000, 0.0001160800000000 ] - [ -0.0051714700000000, -0.0007711900000000, -0.0007483700000000 ] - [ -0.0005458200000000, 0.0000870100000000, -0.0001844700000000 ] - [ -0.0006330300000000, -0.0019162500000000, -0.0022937600000000 ] - [ -0.0002598700000000, -0.0002721900000000, -0.0000683400000000 ] - [ -0.0008705200000000, -0.0027353500000000, -0.0017565900000000 ] - [ 0.0000943500000000, 0.0006914400000000, -0.0001935400000000 ] - [ 0.0005508600000000, 0.0055475100000000, 0.0017773200000000 ] - [ -0.0001753100000000, 0.0003229400000000, 0.0002565800000000 ] - [ 0.0004890600000000, 0.0003130000000000, -0.0003446100000000 ] - [ 0.0003985300000000, -0.0003445100000000, -0.0001929200000000 ] - [ 0.0006066300000000, -0.0000758100000000, 0.0005498800000000 ] - [ 0.0006191000000000, 0.0023072100000000, -0.0001879300000000 ] - [ -0.0005915200000000, 0.0011252100000000, 0.0005743400000000 ] - [ 0.0002378900000000, 0.0003109200000000, 0.0001600800000000 ] - [ 0.0060200300000000, 0.0034953500000000, 0.0000646500000000 ] - [ -0.0004421000000000, -0.0001475200000000, -0.0001359600000000 ] - [ 0.0003945900000000, 0.0010861700000000, 0.0007031500000000 ] - [ -0.0000210200000000, -0.0000214600000000, 0.0004476600000000 ] - [ 0.0036782900000000, -0.0005609300000000, 0.0006364900000000 ] - [ -0.0003077800000000, -0.0001919900000000, 0.0003327700000000 ] - [ -0.0449079700000000, -0.0017327700000000, 0.0021270400000000 ] - [ -0.0000617100000000, 0.0007126000000000, -0.0000577400000000 ] - [ 0.0034081300000000, 0.0026694200000000, 0.0016504600000000 ] - [ 0.0003114700000000, 0.0001340600000000, -0.0002891000000000 ] - [ -0.0000345300000000, -0.0000643200000000, -0.0005193300000000 ] - [ 0.0001241700000000, -0.0004036300000000, -0.0003355400000000 ] - [ -0.0005423600000000, -0.0002074400000000, -0.0009217100000000 ] - [ 0.0001255200000000, -0.0006013400000000, -0.0002168500000000 ] - [ 0.0013693100000000, -0.0001763400000000, 0.0005154900000000 ] - [ 0.0007851400000000, -0.0001685500000000, 0.0001026000000000 ] - [ 0.0007854400000000, 0.0007749800000000, -0.0026047900000000 ] - [ -0.0001745100000000, -0.0003898700000000, 0.0000935800000000 ] - [ 0.0012567000000000, -0.0019792500000000, -0.0009509300000000 ] - [ 0.0001826200000000, -0.0002072900000000, 0.0001630500000000 ] - [ 0.0018979200000000, 0.0008536100000000, 0.0014633300000000 ] - [ 0.0004156500000000, 0.0001243400000000, 0.0001568600000000 ] - [ -0.0444822500000000, -0.0043083600000000, -0.0096569300000000 ] - [ 0.0000954000000000, 0.0001512100000000, 0.0000419400000000 ] - [ 0.0015177600000000, 0.0004350300000000, 0.0035692800000000 ] - [ 0.0001147800000000, 0.0004795000000000, 0.0000834400000000 ] - [ 0.0001245800000000, -0.0015081500000000, -0.0016535300000000 ] - [ -0.0000390600000000, -0.0006487100000000, 0.0000440200000000 ] - [ 0.0031306600000000, -0.0007281100000000, 0.0005660700000000 ] - [ -0.0000541000000000, -0.0004641200000000, -0.0001214500000000 ] - [ 0.0000763200000000, 0.0002632900000000, 0.0000301000000000 ] - [ -0.0001647100000000, -0.0003808200000000, -0.0004159300000000 ] - [ 0.0009152200000000, -0.0006295700000000, 0.0011759300000000 ] - [ -0.0002065500000000, 0.0002751300000000, 0.0002203100000000 ] - [ 0.0030765100000000, -0.0019705100000000, 0.0008840800000000 ] - [ -0.0001115100000000, -0.0000857700000000, -0.0000793100000000 ] - [ -0.0005629000000000, 0.0000456200000000, -0.0007313300000000 ] - [ -0.0009332900000000, 0.0000107200000000, -0.0000587500000000 ] - [ 0.0003025200000000, -0.0005599500000000, 0.0004112200000000 ] - [ -0.0002849800000000, -0.0003325500000000, 0.0004520900000000 ] - [ -0.0008310300000000, -0.0005234400000000, 0.0000653400000000 ] - [ 0.0000164700000000, -0.0003326300000000, -0.0000004000000000 ] - [ -0.0002360300000000, 0.0005125700000000, -0.0002524500000000 ] - [ -0.0004306600000000, 0.0002421800000000, -0.0003051700000000 ] - [ -0.0000631800000000, 0.0011211900000000, 0.0010904200000000 ] - [ -0.0001456500000000, 0.0005680000000000, -0.0002356300000000 ] - [ 0.0009190000000000, -0.0005690200000000, 0.0009973700000000 ] - [ 0.0003373300000000, -0.0005308800000000, 0.0000077400000000 ] - [ -0.0008893800000000, 0.0007900100000000, -0.0001608600000000 ] - [ -0.0000428700000000, 0.0003503900000000, 0.0004017200000000 ] - [ 0.0133362600000000, 0.0084200600000000, 0.0025895700000000 ] - [ 0.0003222500000000, 0.0000631000000000, 0.0001287100000000 ] - [ 0.0001331100000000, 0.0004424000000000, 0.0004781200000000 ] - [ 0.0002478900000000, 0.0004203800000000, 0.0004479500000000 ] - [ 0.0004986500000000, -0.0005318500000000, 0.0001908000000000 ] - [ 0.0003987000000000, 0.0000543900000000, 0.0002271800000000 ] - [ 0.0083702000000000, -0.0020704400000000, -0.0111598900000000 ] - [ 0.0005820900000000, 0.0005904100000000, -0.0000471300000000 ] - [ -0.0005646200000000, 0.0023935900000000, -0.0000347000000000 ] - [ 0.0005675000000000, 0.0000614400000000, 0.0002876300000000 ] - [ -0.0011531300000000, -0.0016890800000000, -0.0015889800000000 ] - [ -0.0002810600000000, 0.0002023500000000, -0.0001707900000000 ] - [ -0.0013586100000000, 0.0011907500000000, 0.0003308700000000 ] - [ -0.0000178200000000, -0.0004326100000000, -0.0001151000000000 ] - [ 0.0005976200000000, -0.0000629800000000, 0.0000408000000000 ] - [ 0.0003094700000000, 0.0002345600000000, -0.0002739300000000 ] - [ -0.0030011200000000, -0.0003542000000000, 0.0010830800000000 ] - [ -0.0002734000000000, -0.0001755900000000, -0.0000155400000000 ] - [ -0.0037292200000000, 0.0029418800000000, -0.0045022000000000 ] - [ -0.0000932600000000, 0.0002709300000000, 0.0000023000000000 ] - [ -0.0018722000000000, -0.0006183600000000, -0.0000336800000000 ] - [ 0.0000695500000000, -0.0002456100000000, -0.0000034300000000 ] - [ -0.0003930900000000, -0.0006401800000000, -0.0011504800000000 ] - [ -0.0000239800000000, 0.0004038900000000, -0.0000193600000000 ] - [ -0.0000116900000000, -0.0034691600000000, -0.0005459700000000 ] - [ -0.0001713800000000, -0.0003021600000000, -0.0003681800000000 ] - [ -0.0120533600000000, -0.0065716800000000, 0.0285236700000000 ] - [ -0.0002316100000000, 0.0003448300000000, 0.0002264800000000 ] - [ -0.0005851300000000, -0.0005280500000000, -0.0006703500000000 ] - [ 0.0002972500000000, -0.0003582000000000, -0.0002533600000000 ] - [ 0.0781294800000000, -0.0007413900000000, 0.0152567200000000 ] - [ 0.0000033400000000, 0.0001761500000000, -0.0001795900000000 ] - [ -0.0000505900000000, 0.0001598900000000, -0.0002248400000000 ] - [ 0.0000317700000000, 0.0003107200000000, -0.0001056000000000 ] - [ -0.0014604200000000, -0.0007954900000000, -0.0007836400000000 ] - [ -0.0002024100000000, -0.0000807900000000, 0.0000979100000000 ] - [ -0.0009284900000000, 0.0004424100000000, 0.0009067400000000 ] - [ 0.0000093900000000, -0.0002055800000000, 0.0002001400000000 ] - [ 0.0056022800000000, 0.0117355400000000, -0.0086971700000000 ] - [ 0.0001874700000000, -0.0007092600000000, 0.0002239500000000 ] - [ 0.0013992200000000, -0.0019587600000000, -0.0156464200000000 ] - [ -0.0003075500000000, 0.0005694000000000, 0.0000134500000000 ] - [ -0.0000008800000000, -0.0006065700000000, -0.0001573900000000 ] - [ -0.0000189600000000, -0.0002608600000000, -0.0004390000000000 ] - [ -0.0015444500000000, -0.0011613400000000, -0.0003683700000000 ] - [ 0.0000421100000000, -0.0003519000000000, 0.0003813900000000 ] - [ -0.0002490700000000, -0.0014454300000000, 0.0007262300000000 ] - [ -0.0003527200000000, -0.0005865000000000, 0.0000820000000000 ] - [ -0.0001905300000000, 0.0005656300000000, -0.0002721100000000 ] - [ -0.0001912700000000, -0.0004455400000000, -0.0001052600000000 ] - [ -0.0007335600000000, 0.0003697200000000, 0.0000284400000000 ] - [ -0.0001960200000000, -0.0003480600000000, 0.0000561400000000 ] - [ -0.0024939600000000, 0.0005052800000000, -0.0012118700000000 ] - [ -0.0005967600000000, -0.0006130100000000, 0.0000872500000000 ] - [ -0.0040450500000000, -0.0046700000000000, -0.0007947500000000 ] - [ -0.0000313500000000, 0.0003631200000000, -0.0003981800000000 ] - [ 0.0002405600000000, -0.0000434900000000, 0.0002908800000000 ] - [ -0.0000269900000000, -0.0003532200000000, -0.0000263200000000 ] - [ -0.0003867400000000, 0.0013010300000000, -0.0012490400000000 ] - [ -0.0000879200000000, 0.0003204000000000, 0.0000058200000000 ] - [ -0.0012222000000000, 0.0004569600000000, 0.0001171500000000 ] - [ -0.0003998800000000, -0.0000346200000000, 0.0001806100000000 ] - [ -0.0006393000000000, 0.0003567800000000, -0.0003278800000000 ] - [ -0.0009969000000000, 0.0004254000000000, -0.0006240200000000 ] - [ 0.0007486600000000, -0.0000228200000000, 0.0004771700000000 ] - [ 0.0005997000000000, -0.0008738000000000, -0.0000960000000000 ] - [ -0.0038000600000000, -0.0004352900000000, 0.0002677200000000 ] - [ 0.0001862800000000, 0.0000737400000000, -0.0001165800000000 ]- atom: 99 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0011368100000000, -0.0002098000000000, -0.0000947200000000 ] - [ 0.0000004200000000, -0.0015110600000000, 0.0001557700000000 ] - [ 0.0015697000000000, 0.0045695900000000, 0.0024643200000000 ] - [ 0.0004075200000000, -0.0015090300000000, -0.0000688100000000 ] - [ 0.0028912000000000, -0.0086656800000000, 0.0023013600000000 ] - [ -0.0012297100000000, -0.0027097000000000, -0.0002285300000000 ] - [ 0.0006444000000000, 0.0025148800000000, -0.0007037400000000 ] - [ -0.0000492400000000, -0.0019744000000000, -0.0001426700000000 ] - [ 0.0029033900000000, -0.0096652200000000, 0.0125508500000000 ] - [ 0.0005934700000000, -0.0028070400000000, 0.0002145700000000 ] - [ -0.0014188900000000, -0.0004063200000000, -0.0046457200000000 ] - [ -0.0004078400000000, -0.0021775400000000, 0.0004901400000000 ] - [ -0.0005500600000000, 0.0006424600000000, -0.0016335100000000 ] - [ 0.0006512100000000, -0.0014683400000000, 0.0005087500000000 ] - [ 0.0027831800000000, -0.0031642000000000, 0.0027436200000000 ] - [ -0.0016809100000000, -0.0030168200000000, 0.0001144100000000 ] - [ -0.0015874200000000, 0.0007172900000000, -0.0004692200000000 ] - [ 0.0009191300000000, -0.0012189400000000, -0.0000673300000000 ] - [ 0.0005957000000000, 0.0038976900000000, 0.0034149100000000 ] - [ -0.0006481400000000, -0.0012236100000000, -0.0006368200000000 ] - [ -0.0005309200000000, -0.0006958500000000, -0.0006738100000000 ] - [ -0.0002234200000000, -0.0015255400000000, 0.0006114800000000 ] - [ 0.0040398900000000, 0.0019293300000000, 0.0013791200000000 ] - [ -0.0008146100000000, -0.0014396600000000, -0.0002757000000000 ] - [ 0.0014453600000000, 0.0713384200000000, -0.0247769000000000 ] - [ -0.0001954000000000, -0.0013117600000000, -0.0003676700000000 ] - [ -0.0013423800000000, -0.0000007900000000, -0.0005569900000000 ] - [ 0.0000739100000000, -0.0009166000000000, -0.0009567900000000 ] - [ 0.0007338600000000, 0.0013251800000000, -0.0004135200000000 ] - [ -0.0000426800000000, -0.0023995100000000, -0.0002777200000000 ] - [ -0.0013958500000000, -0.0013768600000000, 0.0006786500000000 ] - [ 0.0012747100000000, -0.0018348300000000, -0.0003853000000000 ] - [ -0.0002084200000000, 0.0002521400000000, -0.0004156100000000 ] - [ 0.0013582200000000, -0.0012299700000000, 0.0005684500000000 ] - [ -0.0015791500000000, 0.0011671600000000, 0.0018666600000000 ] - [ 0.0000790900000000, -0.0025391800000000, 0.0002538200000000 ] - [ 0.0016592800000000, -0.0005333300000000, -0.0020659300000000 ] - [ -0.0000511500000000, -0.0016877800000000, 0.0000421100000000 ] - [ 0.0002458800000000, 0.0025697700000000, 0.0018676900000000 ] - [ 0.0001346800000000, -0.0010300300000000, -0.0003604000000000 ] - [ 0.0026521300000000, 0.1485459300000000, 0.0816641200000000 ] - [ 0.0004575700000000, -0.0019533100000000, 0.0002602200000000 ] - [ -0.0046266800000000, 0.0100825000000000, 0.0008305200000000 ] - [ 0.0001807400000000, -0.0012868100000000, 0.0001942500000000 ] - [ 0.0007901400000000, 0.0025795800000000, 0.0003535400000000 ] - [ -0.0002326900000000, -0.0022687600000000, -0.0001926300000000 ] - [ -0.0002758000000000, 0.0020198000000000, -0.0006306200000000 ] - [ -0.0001185800000000, -0.0019916200000000, 0.0001273000000000 ] - [ -0.0000816200000000, -0.0006954200000000, 0.0001934600000000 ] - [ -0.0000285700000000, -0.0011551200000000, -0.0007621600000000 ] - [ -0.0006412000000000, 0.0017225500000000, -0.0008976300000000 ] - [ 0.0001608100000000, -0.0008969200000000, 0.0007481200000000 ] - [ -0.0011077700000000, 0.0047998100000000, -0.0004244900000000 ] - [ 0.0001246000000000, -0.0018088900000000, 0.0000776400000000 ] - [ -0.0008158900000000, -0.0021303300000000, -0.0022037000000000 ] - [ -0.0001849900000000, -0.0013016500000000, 0.0013760000000000 ] - [ 0.0004567500000000, 0.0009535900000000, -0.0014020400000000 ] - [ -0.0010051500000000, 0.0009408800000000, 0.0008485800000000 ] - [ -0.0000630500000000, -0.0014823300000000, 0.0010675600000000 ] - [ 0.0000804200000000, 0.0006251300000000, -0.0006644600000000 ] - [ -0.0015258100000000, 0.0014247200000000, -0.0005909100000000 ] - [ 0.0013638400000000, 0.0008258700000000, -0.0003128900000000 ] - [ -0.0000428000000000, -0.0017491000000000, -0.0011368200000000 ] - [ -0.0002550300000000, 0.0020143800000000, 0.0000552800000000 ] - [ -0.0004977200000000, -0.0026931400000000, -0.0004438700000000 ] - [ 0.0005534700000000, 0.0011596900000000, 0.0003571400000000 ] - [ 0.0007685500000000, -0.0004066700000000, 0.0011070800000000 ] - [ -0.0004597900000000, 0.0012372800000000, -0.0000858100000000 ] - [ -0.0054920900000000, 0.0468503000000000, 0.0153022400000000 ] - [ -0.0000950900000000, 0.0019530000000000, -0.0005824800000000 ] - [ -0.0005933300000000, 0.0005366200000000, 0.0008651200000000 ] - [ 0.0005044300000000, 0.0017545900000000, -0.0000948800000000 ] - [ 0.0005690100000000, -0.0003753700000000, -0.0002228900000000 ] - [ 0.0004602000000000, 0.0008888100000000, 0.0004810200000000 ] - [ 0.0034641300000000, -0.0125629700000000, 0.0122848300000000 ] - [ 0.0002156500000000, 0.0017408600000000, -0.0005598000000000 ] - [ -0.0014043600000000, 0.0082811300000000, -0.0036845000000000 ] - [ 0.0006948800000000, 0.0036425300000000, -0.0002113300000000 ] - [ 0.0002958700000000, 0.0009358800000000, 0.0018316100000000 ] - [ -0.0000541300000000, 0.0015010500000000, 0.0000210000000000 ] - [ -0.0029890100000000, -0.0003010500000000, -0.0000900400000000 ] - [ 0.0001481200000000, 0.0005264800000000, 0.0004236100000000 ] - [ 0.0013387100000000, 0.0008308700000000, 0.0006232700000000 ] - [ -0.0008964900000000, 0.0013011000000000, -0.0015301700000000 ] - [ 0.0018897400000000, -0.0024179900000000, -0.0001152600000000 ] - [ -0.0005491000000000, 0.0011967500000000, -0.0004055900000000 ] - [ -0.0044307700000000, -0.0011438700000000, -0.0068549000000000 ] - [ -0.0000297800000000, 0.0013618700000000, 0.0004575300000000 ] - [ 0.0011289600000000, -0.0008854400000000, -0.0005449900000000 ] - [ 0.0000612600000000, 0.0005450100000000, 0.0003828100000000 ] - [ 0.0006522800000000, 0.0001071300000000, -0.0001037800000000 ] - [ -0.0001487500000000, 0.0013090100000000, 0.0007178700000000 ] - [ 0.0021466600000000, 0.0030649300000000, 0.0031990200000000 ] - [ -0.0003059300000000, 0.0018693300000000, -0.0011735700000000 ] - [ -0.0010322800000000, -0.0105256800000000, -0.0029797500000000 ] - [ -0.0000079200000000, 0.0012339000000000, 0.0004891700000000 ] - [ -0.0001095300000000, -0.0020712700000000, -0.0006504700000000 ] - [ 0.0006015300000000, 0.0005151900000000, 0.0000174400000000 ] - [ 0.0013576900000000, -0.2539083200000000, -0.0750009900000000 ] - [ -0.0000242000000000, 0.0014906500000000, 0.0000103000000000 ] - [ 0.0005465000000000, -0.0001821700000000, 0.0003890500000000 ] - [ 0.0000137100000000, 0.0013374200000000, -0.0005488200000000 ] - [ 0.0009356700000000, -0.0024038500000000, -0.0005004400000000 ] - [ 0.0000492000000000, 0.0007510700000000, 0.0003596400000000 ] - [ -0.0005878100000000, -0.0025851400000000, -0.0001678200000000 ] - [ 0.0000501900000000, 0.0008574200000000, 0.0003458300000000 ] - [ -0.0086269800000000, 0.0178106500000000, -0.0289779200000000 ] - [ -0.0000179900000000, 0.0013772900000000, 0.0007126300000000 ] - [ 0.0032047500000000, -0.0077580000000000, 0.0144994800000000 ] - [ -0.0000286700000000, 0.0026830900000000, 0.0004259900000000 ] - [ 0.0005367400000000, -0.0004096500000000, 0.0007131200000000 ] - [ -0.0004518800000000, 0.0007582300000000, -0.0014215100000000 ] - [ -0.0013908100000000, -0.0028988600000000, -0.0010176700000000 ] - [ 0.0004842300000000, 0.0005895600000000, 0.0009130900000000 ] - [ 0.0003302700000000, -0.0010110900000000, -0.0002693700000000 ] - [ -0.0008196700000000, 0.0010363000000000, -0.0002889700000000 ] - [ -0.0006025100000000, 0.0014922400000000, -0.0014198300000000 ] - [ 0.0004154300000000, 0.0014948200000000, 0.0009927800000000 ] - [ -0.0004806500000000, -0.0012926200000000, 0.0011129600000000 ] - [ -0.0001649700000000, 0.0005699900000000, -0.0003130300000000 ] - [ -0.0000894500000000, -0.0026741500000000, 0.0010817000000000 ] - [ -0.0008392200000000, 0.0003832400000000, -0.0003257300000000 ] - [ 0.0027271800000000, 0.0000087400000000, -0.0020857300000000 ] - [ 0.0002384600000000, 0.0012379400000000, 0.0001038400000000 ] - [ 0.0001086400000000, -0.0001712900000000, -0.0003682700000000 ] - [ -0.0001996700000000, 0.0004295600000000, -0.0000228800000000 ] - [ 0.0005308400000000, -0.0023135100000000, 0.0015595100000000 ] - [ -0.0001002400000000, 0.0013094300000000, -0.0005729900000000 ] - [ -0.0005004500000000, 0.0002239800000000, 0.0004052400000000 ] - [ -0.0006832900000000, 0.0005492800000000, 0.0001162000000000 ] - [ -0.0002132500000000, 0.0010396400000000, -0.0000396300000000 ] - [ -0.0005567100000000, 0.0012747900000000, 0.0004984200000000 ] - [ -0.0000083500000000, -0.0000486500000000, 0.0009129500000000 ] - [ 0.0010443800000000, -0.0000275700000000, -0.0000130200000000 ] - [ -0.0004323000000000, -0.0012823300000000, -0.0007096400000000 ] - [ 0.0004016600000000, 0.0008130200000000, 0.0000973900000000 ]- atom: 99 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006560100000000, -0.0004351800000000, 0.0002005900000000 ] - [ 0.0004730200000000, 0.0008555700000000, -0.0000518700000000 ] - [ -0.0011098600000000, -0.0038936800000000, -0.0023744600000000 ] - [ 0.0000651500000000, 0.0021645900000000, 0.0001733000000000 ] - [ -0.0033256600000000, 0.0090835300000000, -0.0023998600000000 ] - [ 0.0007539000000000, 0.0033602600000000, 0.0001260700000000 ] - [ -0.0010985800000000, -0.0031937400000000, 0.0005716800000000 ] - [ -0.0004239000000000, 0.0013241200000000, 0.0000382900000000 ] - [ -0.0025439900000000, 0.0106422100000000, -0.0126205800000000 ] - [ -0.0002417100000000, 0.0037044000000000, -0.0004476100000000 ] - [ 0.0010564200000000, 0.0011695400000000, 0.0048984600000000 ] - [ 0.0000550100000000, 0.0030657800000000, -0.0002557500000000 ] - [ 0.0011126300000000, -0.0011365100000000, 0.0010972700000000 ] - [ -0.0000862200000000, 0.0009642600000000, -0.0010361000000000 ] - [ -0.0028362900000000, 0.0045130500000000, -0.0026441700000000 ] - [ 0.0016295000000000, 0.0043683500000000, -0.0000146700000000 ] - [ 0.0013790300000000, 0.0001814400000000, 0.0002572100000000 ] - [ -0.0011321300000000, 0.0021071200000000, -0.0001517100000000 ] - [ -0.0013073600000000, -0.0040472800000000, -0.0035998600000000 ] - [ -0.0001524900000000, 0.0010096200000000, 0.0004188900000000 ] - [ 0.0002716500000000, 0.0008902700000000, 0.0004787300000000 ] - [ -0.0000307600000000, 0.0017459100000000, -0.0008025900000000 ] - [ -0.0046239000000000, -0.0024578400000000, -0.0008662800000000 ] - [ 0.0002452500000000, 0.0009348000000000, 0.0008022200000000 ] - [ -0.0012813300000000, -0.0705817200000000, 0.0241034600000000 ] - [ 0.0002554800000000, 0.0026666600000000, 0.0002762600000000 ] - [ 0.0019251700000000, 0.0005265700000000, 0.0000453300000000 ] - [ 0.0004924200000000, 0.0014248900000000, 0.0004328800000000 ] - [ -0.0003780400000000, -0.0021914700000000, 0.0001686000000000 ] - [ 0.0003962800000000, 0.0015159900000000, 0.0000447900000000 ] - [ 0.0014731800000000, 0.0000222700000000, -0.0007775400000000 ] - [ -0.0012077600000000, 0.0004866500000000, 0.0002865000000000 ] - [ 0.0010103600000000, -0.0004764600000000, 0.0006414700000000 ] - [ -0.0005560600000000, 0.0010172600000000, -0.0003506600000000 ] - [ 0.0012398200000000, -0.0020759500000000, -0.0016303600000000 ] - [ -0.0004316900000000, 0.0016578600000000, -0.0000199800000000 ] - [ -0.0014746200000000, -0.0003613800000000, 0.0022954100000000 ] - [ 0.0002483600000000, 0.0008072100000000, 0.0001738800000000 ] - [ 0.0005500800000000, -0.0023604000000000, -0.0016570600000000 ] - [ 0.0006643900000000, 0.0012470000000000, 0.0005805800000000 ] - [ -0.0018525900000000, -0.1446441800000000, -0.0752140300000000 ] - [ -0.0002036800000000, 0.0021743400000000, -0.0000688100000000 ] - [ 0.0048372200000000, -0.0092290900000000, -0.0006188400000000 ] - [ 0.0000161700000000, 0.0021762300000000, 0.0000182000000000 ] - [ -0.0008497200000000, -0.0039330700000000, -0.0002607400000000 ] - [ 0.0001726100000000, 0.0009197400000000, 0.0002858500000000 ] - [ 0.0000977700000000, -0.0028912800000000, 0.0004175100000000 ] - [ -0.0000788300000000, 0.0011071500000000, -0.0003423300000000 ] - [ 0.0003383800000000, 0.0004920000000000, -0.0000013100000000 ] - [ 0.0002847900000000, 0.0009365300000000, 0.0009611100000000 ] - [ 0.0000756000000000, -0.0012242300000000, 0.0014252000000000 ] - [ -0.0007282900000000, 0.0014060500000000, -0.0002252400000000 ] - [ 0.0008397400000000, -0.0050239400000000, 0.0002416900000000 ] - [ -0.0003798400000000, 0.0015951800000000, -0.0002707500000000 ] - [ 0.0000052600000000, 0.0023325000000000, 0.0019621300000000 ] - [ -0.0006143300000000, 0.0015244300000000, -0.0016082400000000 ] - [ -0.0010843400000000, -0.0016355500000000, 0.0018656000000000 ] - [ 0.0003873100000000, -0.0016108000000000, -0.0003940900000000 ] - [ 0.0002089000000000, 0.0007773500000000, -0.0009859500000000 ] - [ 0.0000700200000000, -0.0013227100000000, 0.0007379000000000 ] - [ 0.0021366600000000, -0.0007485300000000, 0.0001411700000000 ] - [ -0.0007543400000000, -0.0001455800000000, -0.0001373500000000 ] - [ -0.0002681900000000, 0.0029541000000000, 0.0006780100000000 ] - [ -0.0000541200000000, -0.0008231800000000, -0.0005200500000000 ] - [ 0.0011544900000000, 0.0016615500000000, 0.0003919200000000 ] - [ 0.0001025100000000, -0.0021831200000000, -0.0004186100000000 ] - [ -0.0006443300000000, 0.0010573100000000, -0.0002801700000000 ] - [ 0.0005886700000000, -0.0005964800000000, 0.0009170400000000 ] - [ 0.0057857200000000, -0.0454584100000000, -0.0147975200000000 ] - [ 0.0006051400000000, -0.0016530800000000, 0.0006462100000000 ] - [ 0.0008966600000000, 0.0006505600000000, -0.0003921600000000 ] - [ -0.0001977900000000, -0.0005586300000000, 0.0005612200000000 ] - [ -0.0000610700000000, 0.0000615500000000, 0.0002858300000000 ] - [ 0.0000489500000000, -0.0011925000000000, -0.0004200100000000 ] - [ -0.0023196100000000, 0.0137378700000000, -0.0124843800000000 ] - [ 0.0008995400000000, -0.0005109200000000, 0.0003731600000000 ] - [ 0.0020604800000000, -0.0072418900000000, 0.0035915100000000 ] - [ -0.0000475700000000, -0.0026302700000000, 0.0001437200000000 ] - [ -0.0007959700000000, -0.0005948800000000, -0.0018827400000000 ] - [ -0.0004565200000000, -0.0011995200000000, -0.0000846600000000 ] - [ 0.0028693900000000, -0.0003888700000000, 0.0000190300000000 ] - [ -0.0002971900000000, -0.0012253300000000, -0.0004971300000000 ] - [ -0.0009572600000000, -0.0009673200000000, -0.0008580200000000 ] - [ 0.0012757200000000, -0.0014477300000000, 0.0013063700000000 ] - [ -0.0024009800000000, 0.0021305200000000, 0.0000444300000000 ] - [ 0.0000398100000000, -0.0015027700000000, 0.0003442900000000 ] - [ 0.0041897600000000, 0.0016998700000000, 0.0069098200000000 ] - [ -0.0002396700000000, -0.0008184400000000, -0.0004520500000000 ] - [ -0.0008654700000000, 0.0003326500000000, 0.0005344600000000 ] - [ 0.0002110200000000, -0.0010897200000000, -0.0003900300000000 ] - [ -0.0005040900000000, 0.0005798400000000, 0.0001651600000000 ] - [ 0.0003011500000000, -0.0006125700000000, -0.0006452500000000 ] - [ -0.0024832800000000, -0.0042582300000000, -0.0037240100000000 ] - [ -0.0000063300000000, -0.0030663000000000, 0.0007058300000000 ] - [ 0.0002297500000000, 0.0111446500000000, 0.0036629400000000 ] - [ -0.0006069800000000, -0.0005588200000000, -0.0000412400000000 ] - [ 0.0007281200000000, 0.0013974200000000, 0.0002069500000000 ] - [ 0.0000151400000000, -0.0011927000000000, -0.0004673500000000 ] - [ -0.0015993900000000, 0.2499761000000000, 0.0684705300000000 ] - [ -0.0000285800000000, -0.0011383300000000, -0.0004175600000000 ] - [ -0.0002732900000000, 0.0007221200000000, -0.0003919800000000 ] - [ 0.0002604700000000, -0.0007942600000000, 0.0005439900000000 ] - [ -0.0013016900000000, 0.0022715600000000, 0.0007449300000000 ] - [ -0.0004148900000000, -0.0008901600000000, -0.0001195800000000 ] - [ 0.0006433600000000, 0.0022316100000000, 0.0005693300000000 ] - [ 0.0000026500000000, -0.0012138200000000, 0.0000612600000000 ] - [ 0.0087362100000000, -0.0187360500000000, 0.0290034500000000 ] - [ 0.0003287200000000, -0.0025795100000000, -0.0002496000000000 ] - [ -0.0038833800000000, 0.0089106800000000, -0.0143674200000000 ] - [ -0.0006289700000000, -0.0016642800000000, -0.0003665200000000 ] - [ -0.0006591700000000, -0.0002384000000000, -0.0015317000000000 ] - [ 0.0003239100000000, -0.0014044800000000, 0.0005985100000000 ] - [ 0.0015279600000000, 0.0022701200000000, 0.0018542600000000 ] - [ -0.0003567100000000, -0.0012332300000000, -0.0000832700000000 ] - [ -0.0009957300000000, 0.0000028600000000, 0.0003280500000000 ] - [ 0.0001614400000000, -0.0020610900000000, 0.0003508000000000 ] - [ 0.0006532000000000, -0.0011393300000000, 0.0018211900000000 ] - [ -0.0003641000000000, -0.0011353100000000, -0.0005954200000000 ] - [ 0.0002092400000000, 0.0007608100000000, -0.0011138000000000 ] - [ -0.0001060800000000, -0.0011180500000000, 0.0003218100000000 ] - [ -0.0010256500000000, 0.0014446800000000, -0.0008982300000000 ] - [ -0.0002746600000000, -0.0016172600000000, 0.0005151200000000 ] - [ -0.0028553200000000, 0.0006124900000000, 0.0012299300000000 ] - [ -0.0003676900000000, -0.0005968500000000, -0.0009337500000000 ] - [ -0.0001649600000000, -0.0001752100000000, -0.0000357500000000 ] - [ 0.0001455800000000, -0.0007890100000000, -0.0003786800000000 ] - [ -0.0006848400000000, 0.0030195700000000, -0.0016309700000000 ] - [ -0.0000475600000000, -0.0006146900000000, 0.0005022900000000 ] - [ 0.0001374400000000, -0.0000824400000000, -0.0001684200000000 ] - [ 0.0003157400000000, -0.0004133800000000, 0.0001246000000000 ] - [ -0.0009000900000000, 0.0001890300000000, 0.0002261900000000 ] - [ -0.0005512600000000, -0.0000333000000000, -0.0003028000000000 ] - [ 0.0011295500000000, -0.0011812500000000, -0.0011083400000000 ] - [ 0.0000694900000000, -0.0012093800000000, -0.0001774500000000 ] - [ 0.0007546700000000, 0.0014086400000000, 0.0004710800000000 ] - [ -0.0000344000000000, -0.0006755200000000, -0.0003380600000000 ]- atom: 99 displacement: [ -0.0045139598196510, 0.0000000000000000, 0.0089232374588249 ] forces: - [ 0.0009289100000000, -0.0003803400000000, 0.0004033800000000 ] - [ 0.0003451900000000, -0.0002700100000000, 0.0002464600000000 ] - [ -0.0040235900000000, 0.0023544100000000, -0.0037461200000000 ] - [ 0.0001586100000000, -0.0000801800000000, -0.0000409400000000 ] - [ -0.0009526800000000, 0.0009167200000000, 0.0064440500000000 ] - [ -0.0003919800000000, -0.0004071700000000, 0.0003768200000000 ] - [ 0.0059574600000000, -0.0015709200000000, -0.0086284600000000 ] - [ -0.0001827000000000, -0.0005053900000000, -0.0001188900000000 ] - [ 0.0031522200000000, 0.0030656000000000, 0.0235764500000000 ] - [ 0.0003035100000000, -0.0002349100000000, 0.0001199600000000 ] - [ -0.0026661400000000, -0.0126566400000000, -0.0027779400000000 ] - [ -0.0002075900000000, 0.0001952800000000, 0.0002336200000000 ] - [ -0.0009344400000000, -0.0013828300000000, -0.0031460300000000 ] - [ -0.0000172200000000, -0.0001728000000000, -0.0003081500000000 ] - [ 0.0003605100000000, 0.0006081400000000, 0.0009575400000000 ] - [ -0.0011409900000000, -0.0019456500000000, 0.0006248700000000 ] - [ -0.0017672300000000, 0.0002363900000000, 0.0006668900000000 ] - [ -0.0007622600000000, 0.0002644200000000, -0.0004423400000000 ] - [ 0.0151277900000000, 0.0109422000000000, 0.0076943100000000 ] - [ -0.0003958500000000, -0.0002365500000000, -0.0001599300000000 ] - [ -0.0011180400000000, -0.0021617300000000, -0.0013236700000000 ] - [ -0.0002965900000000, 0.0001196700000000, -0.0007449100000000 ] - [ -0.0032027100000000, 0.0005584000000000, 0.0059043900000000 ] - [ -0.0004484800000000, -0.0004071800000000, 0.0003018700000000 ] - [ -0.0199991600000000, -0.0206019000000000, 0.0918391900000000 ] - [ 0.0000570500000000, 0.0003609600000000, -0.0000252500000000 ] - [ 0.0024145600000000, 0.0023471300000000, 0.0018213400000000 ] - [ 0.0002677700000000, 0.0001379900000000, -0.0002738600000000 ] - [ 0.0007661300000000, -0.0001736900000000, -0.0021551700000000 ] - [ 0.0001857800000000, -0.0005914600000000, -0.0004619700000000 ] - [ 0.0004941600000000, -0.0001036400000000, -0.0012134800000000 ] - [ 0.0007469100000000, -0.0010498300000000, -0.0005384800000000 ] - [ -0.0000414300000000, 0.0003154100000000, -0.0000875400000000 ] - [ 0.0005290300000000, -0.0001340800000000, 0.0000083600000000 ] - [ 0.0013539600000000, 0.0009246100000000, -0.0004993400000000 ] - [ -0.0001137800000000, -0.0007973300000000, 0.0001605100000000 ] - [ 0.0007347800000000, -0.0006833700000000, 0.0001606900000000 ] - [ 0.0001786100000000, -0.0002968300000000, 0.0002151700000000 ] - [ -0.0033066900000000, -0.0003045000000000, 0.0007818500000000 ] - [ 0.0003387600000000, -0.0000383200000000, 0.0000230400000000 ] - [ -0.0126784400000000, 0.0751931000000000, 0.1309097800000000 ] - [ 0.0001799000000000, -0.0001651300000000, 0.0001621800000000 ] - [ -0.0136727000000000, 0.0151986800000000, -0.0088436000000000 ] - [ 0.0000842800000000, 0.0001659700000000, 0.0000625100000000 ] - [ 0.0009510500000000, -0.0012453900000000, -0.0017255500000000 ] - [ -0.0000142600000000, -0.0008609600000000, 0.0000218100000000 ] - [ 0.0036711000000000, 0.0011437200000000, -0.0002281700000000 ] - [ -0.0000965600000000, -0.0006184900000000, -0.0001104200000000 ] - [ 0.0004800000000000, 0.0007636200000000, -0.0000437800000000 ] - [ 0.0002876900000000, -0.0005095400000000, -0.0003352700000000 ] - [ 0.0000802100000000, 0.0022251000000000, -0.0037829100000000 ] - [ -0.0002057300000000, 0.0001073200000000, 0.0001703800000000 ] - [ 0.0011640200000000, -0.0008276600000000, 0.0025521700000000 ] - [ -0.0000962400000000, -0.0003260000000000, -0.0000467500000000 ] - [ -0.0004271000000000, -0.0017103400000000, -0.0006987700000000 ] - [ -0.0009537300000000, 0.0008257400000000, -0.0003211500000000 ] - [ -0.0002036600000000, -0.0013391400000000, 0.0004632300000000 ] - [ -0.0008865900000000, 0.0003227500000000, 0.0003414700000000 ] - [ -0.0000638600000000, -0.0010365600000000, 0.0019937500000000 ] - [ 0.0001654600000000, -0.0002962400000000, 0.0000591100000000 ] - [ 0.0000193800000000, 0.0004182500000000, -0.0003430900000000 ] - [ 0.0012648600000000, 0.0005359700000000, -0.0004686900000000 ] - [ -0.0012658000000000, 0.0005389400000000, 0.0008688700000000 ] - [ -0.0001766000000000, 0.0007924000000000, -0.0001817000000000 ] - [ -0.0003793600000000, -0.0005651900000000, 0.0020454800000000 ] - [ 0.0003406400000000, -0.0003692300000000, 0.0000600900000000 ] - [ 0.0008685900000000, -0.0004402800000000, 0.0014835200000000 ] - [ 0.0000453600000000, 0.0004106600000000, 0.0004765700000000 ] - [ 0.0035908200000000, 0.0300283300000000, -0.0113792900000000 ] - [ 0.0001549100000000, 0.0004440400000000, -0.0002102200000000 ] - [ -0.0002623200000000, 0.0004803400000000, 0.0009892000000000 ] - [ 0.0000120000000000, 0.0003899400000000, 0.0004740600000000 ] - [ -0.0000065300000000, -0.0009741500000000, 0.0008459900000000 ] - [ 0.0002730900000000, 0.0000771600000000, 0.0002711100000000 ] - [ 0.0193378900000000, 0.0093750400000000, 0.0477673800000000 ] - [ 0.0005072200000000, 0.0007700700000000, -0.0001776400000000 ] - [ -0.0007965000000000, 0.0012535900000000, -0.0041212200000000 ] - [ 0.0001214500000000, 0.0015363800000000, -0.0006392500000000 ] - [ 0.0010773000000000, 0.0043000600000000, 0.0032098700000000 ] - [ -0.0002485100000000, 0.0001532800000000, 0.0000436100000000 ] - [ -0.0008766200000000, -0.0004124600000000, -0.0030655500000000 ] - [ 0.0000216900000000, -0.0003079500000000, -0.0001325900000000 ] - [ 0.0010527200000000, 0.0005239400000000, 0.0000487900000000 ] - [ 0.0005160500000000, -0.0003822700000000, -0.0002345400000000 ] - [ -0.0014888100000000, -0.0001250000000000, -0.0004065400000000 ] - [ -0.0003006100000000, 0.0000303500000000, -0.0001105700000000 ] - [ 0.0067574700000000, -0.0043551800000000, -0.0017754700000000 ] - [ -0.0000521000000000, 0.0005067600000000, 0.0000237700000000 ] - [ -0.0011881600000000, -0.0011180400000000, -0.0004803300000000 ] - [ 0.0001268800000000, -0.0001799300000000, 0.0000102800000000 ] - [ 0.0000292000000000, -0.0005817100000000, -0.0015079700000000 ] - [ 0.0001569100000000, 0.0004654900000000, 0.0001553300000000 ] - [ 0.0008705000000000, 0.0046657600000000, -0.0018980900000000 ] - [ -0.0002411800000000, -0.0003330500000000, -0.0004621300000000 ] - [ -0.0372108200000000, -0.0154894800000000, 0.0434695000000000 ] - [ -0.0003098500000000, 0.0004488100000000, 0.0002519900000000 ] - [ 0.0014908100000000, 0.0002583600000000, 0.0011972600000000 ] - [ 0.0003336600000000, -0.0002208800000000, -0.0001693800000000 ] - [ 0.0202547200000000, -0.0686566000000000, -0.3509439200000000 ] - [ -0.0000396900000000, 0.0003670700000000, -0.0002397500000000 ] - [ 0.0012455300000000, 0.0007938000000000, 0.0007998100000000 ] - [ 0.0003720600000000, 0.0003722400000000, 0.0000303400000000 ] - [ 0.0069390500000000, -0.0006269300000000, 0.0021173000000000 ] - [ -0.0001122200000000, 0.0000478400000000, 0.0001797900000000 ] - [ -0.0010218200000000, -0.0002261500000000, 0.0000863500000000 ] - [ 0.0000260000000000, -0.0000621200000000, 0.0002064600000000 ] - [ 0.0092809200000000, -0.0246879900000000, 0.0038460200000000 ] - [ 0.0001042400000000, -0.0002268200000000, 0.0002586300000000 ] - [ 0.0139793100000000, 0.0078531400000000, 0.0262928900000000 ] - [ -0.0003018000000000, 0.0007633800000000, 0.0000585500000000 ] - [ 0.0001873700000000, 0.0003465200000000, 0.0003042400000000 ] - [ 0.0001137000000000, -0.0005647800000000, -0.0001365200000000 ] - [ 0.0011483000000000, -0.0000506300000000, -0.0005198800000000 ] - [ 0.0001474100000000, -0.0001974900000000, 0.0004786000000000 ] - [ -0.0006136700000000, -0.0013031000000000, 0.0003572500000000 ] - [ -0.0005345100000000, -0.0002289900000000, -0.0000389600000000 ] - [ 0.0002086600000000, -0.0003554100000000, 0.0002664200000000 ] - [ 0.0003604400000000, 0.0013359600000000, 0.0003427900000000 ] - [ -0.0016532900000000, -0.0001940000000000, 0.0014522000000000 ] - [ -0.0002037400000000, -0.0002603500000000, 0.0000392300000000 ] - [ -0.0013648900000000, -0.0000927600000000, -0.0013457400000000 ] - [ -0.0005809900000000, -0.0004964400000000, 0.0000370300000000 ] - [ -0.0030429500000000, -0.0049112700000000, -0.0050974200000000 ] - [ -0.0000412100000000, 0.0004275800000000, -0.0003755800000000 ] - [ -0.0003472100000000, 0.0000285500000000, 0.0005646600000000 ] - [ -0.0001890200000000, -0.0004120900000000, 0.0003093700000000 ] - [ -0.0005945900000000, -0.0038521900000000, 0.0060016200000000 ] - [ -0.0000747400000000, 0.0004761900000000, -0.0000177600000000 ] - [ -0.0002903400000000, -0.0000016000000000, 0.0000313700000000 ] - [ -0.0003137800000000, 0.0000036200000000, 0.0001268800000000 ] - [ -0.0000830600000000, 0.0008508200000000, 0.0002310500000000 ] - [ 0.0000886300000000, 0.0012653700000000, 0.0012962300000000 ] - [ 0.0002273600000000, -0.0004352400000000, 0.0000502600000000 ] - [ 0.0004992700000000, -0.0009197500000000, -0.0001800000000000 ] - [ -0.0083342700000000, -0.0020387400000000, 0.0008193300000000 ] - [ 0.0001922400000000, 0.0001496500000000, -0.0000858300000000 ]- atom: 99 displacement: [ 0.0045139598196510, 0.0000000000000000, -0.0089232374588249 ] forces: - [ -0.0004585100000000, -0.0002770600000000, -0.0002993800000000 ] - [ 0.0001299100000000, -0.0003803700000000, -0.0001418700000000 ] - [ 0.0045009400000000, -0.0017236700000000, 0.0038505800000000 ] - [ 0.0003158800000000, 0.0007354200000000, 0.0001452600000000 ] - [ 0.0004719800000000, -0.0003095600000000, -0.0065603200000000 ] - [ -0.0000800100000000, 0.0010653800000000, -0.0004818000000000 ] - [ -0.0064474800000000, 0.0009374300000000, 0.0085436800000000 ] - [ -0.0002920900000000, -0.0001474200000000, 0.0000147700000000 ] - [ -0.0028100800000000, -0.0021294400000000, -0.0238986800000000 ] - [ 0.0000494800000000, 0.0011189700000000, -0.0003552700000000 ] - [ 0.0023197200000000, 0.0136276400000000, 0.0030043100000000 ] - [ -0.0001449100000000, 0.0006914000000000, 0.0000005600000000 ] - [ 0.0015019400000000, 0.0008569400000000, 0.0026278600000000 ] - [ 0.0005840800000000, -0.0003335900000000, -0.0002166000000000 ] - [ -0.0004289800000000, 0.0007521200000000, -0.0008731200000000 ] - [ 0.0010790000000000, 0.0033064200000000, -0.0005372600000000 ] - [ 0.0015743200000000, 0.0006456500000000, -0.0008762700000000 ] - [ 0.0005723200000000, 0.0006235000000000, 0.0002321300000000 ] - [ -0.0160036700000000, -0.0112150400000000, -0.0080380300000000 ] - [ -0.0004070500000000, 0.0000218100000000, -0.0000601000000000 ] - [ 0.0008700900000000, 0.0023954900000000, 0.0011402500000000 ] - [ 0.0000418600000000, 0.0000988800000000, 0.0005539800000000 ] - [ 0.0026857400000000, -0.0010676900000000, -0.0053884800000000 ] - [ -0.0001176000000000, -0.0000987100000000, 0.0002230600000000 ] - [ 0.0193969300000000, 0.0247800500000000, -0.1000880800000000 ] - [ 0.0000013400000000, 0.0009927100000000, -0.0000677300000000 ] - [ -0.0018385800000000, -0.0018390200000000, -0.0023463900000000 ] - [ 0.0003009600000000, 0.0003692600000000, -0.0002516600000000 ] - [ -0.0004156300000000, -0.0007298000000000, 0.0019274100000000 ] - [ 0.0001672600000000, -0.0002907200000000, 0.0002288600000000 ] - [ -0.0004429700000000, -0.0012425400000000, 0.0011256600000000 ] - [ -0.0006940600000000, -0.0003036600000000, 0.0004495800000000 ] - [ 0.0008462700000000, -0.0005270700000000, 0.0003024400000000 ] - [ 0.0002728800000000, -0.0000825100000000, 0.0002122700000000 ] - [ -0.0016974800000000, -0.0017956000000000, 0.0007492200000000 ] - [ -0.0002392800000000, -0.0000861400000000, 0.0000745000000000 ] - [ -0.0005275300000000, -0.0002022100000000, 0.0000325500000000 ] - [ 0.0000198500000000, -0.0005929200000000, -0.0000034600000000 ] - [ 0.0041166300000000, 0.0005271800000000, -0.0005425700000000 ] - [ 0.0004648000000000, 0.0002549900000000, 0.0001974900000000 ] - [ 0.0140947200000000, -0.0699090300000000, -0.1263154900000000 ] - [ 0.0000746700000000, 0.0003822400000000, 0.0000272800000000 ] - [ 0.0138499500000000, -0.0142434200000000, 0.0091043000000000 ] - [ 0.0001139400000000, 0.0007232800000000, 0.0001507500000000 ] - [ -0.0010008200000000, -0.0001152000000000, 0.0018232200000000 ] - [ -0.0000433500000000, -0.0004908900000000, 0.0000709900000000 ] - [ -0.0038861700000000, -0.0020477200000000, 0.0000050100000000 ] - [ -0.0001020400000000, -0.0002687000000000, -0.0001019400000000 ] - [ -0.0002272200000000, -0.0009886000000000, 0.0002315600000000 ] - [ -0.0000349800000000, 0.0002979600000000, 0.0005185000000000 ] - [ -0.0006513300000000, -0.0017143700000000, 0.0043086800000000 ] - [ -0.0003621800000000, 0.0003999200000000, 0.0003550400000000 ] - [ -0.0014189200000000, 0.0006145000000000, -0.0027450800000000 ] - [ -0.0001583400000000, 0.0001096900000000, -0.0001421600000000 ] - [ -0.0003734400000000, 0.0019337000000000, 0.0004926400000000 ] - [ 0.0001444400000000, -0.0006106900000000, 0.0001056600000000 ] - [ -0.0003988100000000, 0.0006566500000000, -0.0000167400000000 ] - [ 0.0002775800000000, -0.0010066200000000, 0.0001076900000000 ] - [ 0.0002133600000000, 0.0003529400000000, -0.0019294800000000 ] - [ -0.0000237600000000, -0.0004001700000000, 0.0000107400000000 ] - [ 0.0005946000000000, 0.0002628900000000, -0.0001090300000000 ] - [ -0.0006535500000000, 0.0001417200000000, 0.0000180000000000 ] - [ 0.0009434700000000, 0.0006521300000000, -0.0013455500000000 ] - [ -0.0001360700000000, 0.0004025300000000, -0.0002873000000000 ] - [ 0.0010338200000000, -0.0004421000000000, -0.0021113700000000 ] - [ 0.0003150500000000, -0.0006538500000000, -0.0001207800000000 ] - [ -0.0007484500000000, 0.0010776500000000, -0.0006467000000000 ] - [ 0.0000750600000000, 0.0002326400000000, 0.0003557800000000 ] - [ -0.0029238600000000, -0.0298185500000000, 0.0112331900000000 ] - [ 0.0003601300000000, -0.0001408900000000, 0.0002714000000000 ] - [ 0.0005787300000000, 0.0007219100000000, -0.0005272200000000 ] - [ 0.0003025200000000, 0.0008044700000000, -0.0000054500000000 ] - [ 0.0005199700000000, 0.0006793700000000, -0.0007819100000000 ] - [ 0.0002413000000000, -0.0003853900000000, -0.0002087300000000 ] - [ -0.0178293400000000, -0.0079093900000000, -0.0473999600000000 ] - [ 0.0006145800000000, 0.0004615700000000, -0.0000089200000000 ] - [ 0.0014570500000000, -0.0002434000000000, 0.0040776000000000 ] - [ 0.0005413300000000, -0.0005160800000000, 0.0005856700000000 ] - [ -0.0015953900000000, -0.0040280400000000, -0.0032900900000000 ] - [ -0.0002664700000000, 0.0001506600000000, -0.0001048600000000 ] - [ 0.0007236900000000, -0.0002809300000000, 0.0030103600000000 ] - [ -0.0001646000000000, -0.0003860500000000, 0.0000642200000000 ] - [ -0.0006859900000000, -0.0006676000000000, -0.0002875200000000 ] - [ -0.0001500600000000, 0.0002453300000000, -0.0000082200000000 ] - [ 0.0009742700000000, -0.0001823200000000, 0.0003374900000000 ] - [ -0.0002142600000000, -0.0003350800000000, 0.0000481900000000 ] - [ -0.0070530100000000, 0.0049201300000000, 0.0017176300000000 ] - [ -0.0002126200000000, 0.0000445500000000, -0.0000136700000000 ] - [ 0.0014479100000000, 0.0005753500000000, 0.0004793700000000 ] - [ 0.0001363100000000, -0.0003724800000000, -0.0000202700000000 ] - [ 0.0001113800000000, 0.0012805800000000, 0.0015796100000000 ] - [ -0.0000163800000000, 0.0002276800000000, -0.0000880600000000 ] - [ -0.0011810800000000, -0.0058786400000000, 0.0014595700000000 ] - [ -0.0000694700000000, -0.0008637400000000, -0.0000041800000000 ] - [ 0.0373620100000000, 0.0164781000000000, -0.0440203600000000 ] - [ -0.0003039300000000, 0.0002322000000000, 0.0002026600000000 ] - [ -0.0008837400000000, -0.0009373500000000, -0.0016559800000000 ] - [ 0.0002775900000000, -0.0004612900000000, -0.0002845500000000 ] - [ -0.0217232300000000, 0.0606191200000000, 0.3553265700000000 ] - [ -0.0000075200000000, -0.0000085900000000, -0.0001672100000000 ] - [ -0.0009778300000000, -0.0002365000000000, -0.0008162200000000 ] - [ -0.0001089400000000, 0.0001783500000000, -0.0000427800000000 ] - [ -0.0072923500000000, 0.0004734800000000, -0.0018872200000000 ] - [ -0.0002591400000000, -0.0001906500000000, 0.0000532000000000 ] - [ 0.0010671200000000, -0.0001273700000000, 0.0003165300000000 ] - [ 0.0000209300000000, -0.0002968000000000, 0.0001987700000000 ] - [ -0.0090467600000000, 0.0235325100000000, -0.0032322400000000 ] - [ 0.0002098300000000, -0.0009715700000000, 0.0002121800000000 ] - [ -0.0149014700000000, -0.0068970300000000, -0.0265860000000000 ] - [ -0.0003553700000000, 0.0002560500000000, 0.0000010700000000 ] - [ -0.0003108900000000, -0.0009828500000000, -0.0011474900000000 ] - [ -0.0002329600000000, -0.0000782100000000, -0.0006987700000000 ] - [ -0.0010408200000000, -0.0006030800000000, 0.0013429900000000 ] - [ -0.0000288800000000, -0.0004460000000000, 0.0003544300000000 ] - [ -0.0000411600000000, 0.0002748000000000, -0.0002981200000000 ] - [ -0.0001212200000000, -0.0007907900000000, 0.0000984100000000 ] - [ -0.0001587900000000, 0.0007128500000000, 0.0001458700000000 ] - [ -0.0003134900000000, -0.0009846400000000, 0.0000674600000000 ] - [ 0.0013904400000000, -0.0003652200000000, -0.0014341800000000 ] - [ -0.0000600900000000, -0.0002899700000000, -0.0000291700000000 ] - [ 0.0002475000000000, -0.0011386700000000, 0.0015386900000000 ] - [ -0.0005405800000000, -0.0007364500000000, 0.0001496300000000 ] - [ 0.0029118900000000, 0.0055606300000000, 0.0043073600000000 ] - [ -0.0000797500000000, 0.0002144300000000, -0.0004574000000000 ] - [ 0.0003021600000000, -0.0003955600000000, -0.0009725000000000 ] - [ 0.0001426400000000, 0.0000574800000000, -0.0007186200000000 ] - [ 0.0004614000000000, 0.0045416200000000, -0.0060796700000000 ] - [ -0.0000682700000000, 0.0002181100000000, -0.0000508500000000 ] - [ -0.0000849700000000, 0.0001424000000000, 0.0002066900000000 ] - [ -0.0000567400000000, 0.0001409300000000, 0.0001055100000000 ] - [ -0.0010401200000000, 0.0003826500000000, -0.0000436400000000 ] - [ -0.0012167900000000, -0.0000383200000000, -0.0011187400000000 ] - [ 0.0008930300000000, -0.0007980600000000, -0.0002312600000000 ] - [ 0.0006229500000000, -0.0003091100000000, -0.0000049000000000 ] - [ 0.0087713700000000, 0.0021973300000000, -0.0010418600000000 ] - [ 0.0001788100000000, -0.0000075500000000, -0.0001471500000000 ]