# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/f2e574e2-b544-43ae-830c-3b5a1fbfcda7/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 Ba2Ga2S5 / C2/c (15) / materials id 18421](https://mdr.nims.go.jp/datasets/31425141-6283-423e-840d-d7104efe71cb) ## 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: "C2/c" number: 15 Hall_symbol: "-C 2yc"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 7.741503415000000, -7.276449825000000, -0.027125870000000 ] # a - [ 7.741503415000000, 7.276449825000000, -0.027125870000000 ] # b - [ -2.290427070000000, 0.000000000000000, 8.178627560000001 ] # c points: - symbol: S # 1 coordinates: [ 0.971819610000000, 0.028180390000000, 0.250000000000000 ] mass: 32.065000 - symbol: S # 2 coordinates: [ 0.028180390000000, 0.971819610000000, 0.750000000000000 ] mass: 32.065000 - symbol: S # 3 coordinates: [ 0.390297490000000, 0.964645350000000, 0.774724120000000 ] mass: 32.065000 - symbol: S # 4 coordinates: [ 0.035354650000000, 0.609702510000000, 0.725275880000000 ] mass: 32.065000 - symbol: S # 5 coordinates: [ 0.609702510000000, 0.035354650000000, 0.225275880000000 ] mass: 32.065000 - symbol: S # 6 coordinates: [ 0.964645350000000, 0.390297490000000, 0.274724120000000 ] mass: 32.065000 - symbol: S # 7 coordinates: [ 0.519114760000000, 0.764809520000000, 0.458408390000000 ] mass: 32.065000 - symbol: S # 8 coordinates: [ 0.235190480000000, 0.480885240000000, 0.041591610000000 ] mass: 32.065000 - symbol: S # 9 coordinates: [ 0.480885240000000, 0.235190480000000, 0.541591610000000 ] mass: 32.065000 - symbol: S # 10 coordinates: [ 0.764809520000000, 0.519114760000000, 0.958408390000000 ] mass: 32.065000 - symbol: S # 11 coordinates: [ 0.251111220000000, 0.165311980000000, 0.097741960000000 ] mass: 32.065000 - symbol: S # 12 coordinates: [ 0.834688020000000, 0.748888780000000, 0.402258040000000 ] mass: 32.065000 - symbol: S # 13 coordinates: [ 0.748888780000000, 0.834688020000000, 0.902258040000000 ] mass: 32.065000 - symbol: S # 14 coordinates: [ 0.165311980000000, 0.251111220000000, 0.597741960000000 ] mass: 32.065000 - symbol: S # 15 coordinates: [ 0.184966350000000, 0.736616010000000, 0.441834610000000 ] mass: 32.065000 - symbol: S # 16 coordinates: [ 0.263383990000000, 0.815033650000000, 0.058165390000000 ] mass: 32.065000 - symbol: S # 17 coordinates: [ 0.407183410000000, 0.592816590000000, 0.750000000000000 ] mass: 32.065000 - symbol: S # 18 coordinates: [ 0.592816590000000, 0.407183410000000, 0.250000000000000 ] mass: 32.065000 - symbol: S # 19 coordinates: [ 0.736616010000000, 0.184966350000000, 0.941834610000000 ] mass: 32.065000 - symbol: S # 20 coordinates: [ 0.815033650000000, 0.263383990000000, 0.558165390000000 ] mass: 32.065000 - symbol: Ga # 21 coordinates: [ 0.379030680000000, 0.765409480000000, 0.619432940000000 ] mass: 69.723000 - symbol: Ga # 22 coordinates: [ 0.234590520000000, 0.620969320000000, 0.880567060000000 ] mass: 69.723000 - symbol: Ga # 23 coordinates: [ 0.620969320000000, 0.234590520000000, 0.380567060000000 ] mass: 69.723000 - symbol: Ga # 24 coordinates: [ 0.765409480000000, 0.379030680000000, 0.119432940000000 ] mass: 69.723000 - symbol: Ga # 25 coordinates: [ 0.020495780000000, 0.774400360000000, 0.583666080000000 ] mass: 69.723000 - symbol: Ga # 26 coordinates: [ 0.225599640000000, 0.979504220000000, 0.916333920000000 ] mass: 69.723000 - symbol: Ga # 27 coordinates: [ 0.979504220000000, 0.225599640000000, 0.416333920000000 ] mass: 69.723000 - symbol: Ga # 28 coordinates: [ 0.774400360000000, 0.020495780000000, 0.083666080000000 ] mass: 69.723000 - symbol: Ba # 29 coordinates: [ 0.716753470000000, 0.988104130000000, 0.607734740000000 ] mass: 137.327000 - symbol: Ba # 30 coordinates: [ 0.011895870000000, 0.283246530000000, 0.892265260000000 ] mass: 137.327000 - symbol: Ba # 31 coordinates: [ 0.283246530000000, 0.011895870000000, 0.392265260000000 ] mass: 137.327000 - symbol: Ba # 32 coordinates: [ 0.988104130000000, 0.716753470000000, 0.107734740000000 ] mass: 137.327000 - symbol: Ba # 33 coordinates: [ 0.732325930000000, 0.573297550000000, 0.603767120000000 ] mass: 137.327000 - symbol: Ba # 34 coordinates: [ 0.426702450000000, 0.267674070000000, 0.896232880000000 ] mass: 137.327000 - symbol: Ba # 35 coordinates: [ 0.267674070000000, 0.426702450000000, 0.396232880000000 ] mass: 137.327000 - symbol: Ba # 36 coordinates: [ 0.573297550000000, 0.732325930000000, 0.103767120000000 ] mass: 137.327000 reciprocal_lattice: # without 2pi - [ 0.064650378194712, -0.068714828250740, 0.018105357557437 ] # a* - [ 0.064650378194712, 0.068714828250740, 0.018105357557437 ] # b* - [ 0.000428848909305, 0.000000000000000, 0.122390002455475 ] # c*unit_cell: lattice: - [ 15.483006830000001, 0.000000000000000, -0.054251740000000 ] # a - [ 0.000000000000000, 14.552899650000001, 0.000000000000000 ] # b - [ -2.290427070000000, 0.000000000000000, 8.178627560000001 ] # c points: - symbol: S # 1 coordinates: [ 0.500000000000000, 0.528180390000000, 0.250000000000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 2 coordinates: [ 0.500000000000000, 0.471819610000000, 0.750000000000000 ] mass: 32.065000 reduced_to: 2 - symbol: S # 3 coordinates: [ 0.677471420000000, 0.287173930000000, 0.774724120000000 ] mass: 32.065000 reduced_to: 3 - symbol: S # 4 coordinates: [ 0.322528580000000, 0.287173930000000, 0.725275880000000 ] mass: 32.065000 reduced_to: 4 - symbol: S # 5 coordinates: [ 0.322528580000000, 0.712826070000000, 0.225275880000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 6 coordinates: [ 0.677471420000000, 0.712826070000000, 0.274724120000000 ] mass: 32.065000 reduced_to: 6 - symbol: S # 7 coordinates: [ 0.641962140000000, 0.122847380000000, 0.458408390000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 8 coordinates: [ 0.358037860000000, 0.122847380000000, 0.041591610000000 ] mass: 32.065000 reduced_to: 8 - symbol: S # 9 coordinates: [ 0.358037860000000, 0.877152620000000, 0.541591610000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 10 coordinates: [ 0.641962140000000, 0.877152620000000, 0.958408390000000 ] mass: 32.065000 reduced_to: 10 - symbol: S # 11 coordinates: [ 0.208211600000000, 0.957100380000000, 0.097741960000000 ] mass: 32.065000 reduced_to: 11 - symbol: S # 12 coordinates: [ 0.791788400000000, 0.957100380000000, 0.402258040000000 ] mass: 32.065000 reduced_to: 12 - symbol: S # 13 coordinates: [ 0.791788400000000, 0.042899620000000, 0.902258040000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 14 coordinates: [ 0.208211600000000, 0.042899620000000, 0.597741960000000 ] mass: 32.065000 reduced_to: 14 - symbol: S # 15 coordinates: [ 0.460791180000000, 0.275824830000000, 0.441834610000000 ] mass: 32.065000 reduced_to: 15 - symbol: S # 16 coordinates: [ 0.539208820000000, 0.275824830000000, 0.058165390000000 ] mass: 32.065000 reduced_to: 16 - symbol: S # 17 coordinates: [ 0.500000000000000, 0.092816590000000, 0.750000000000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 18 coordinates: [ 0.500000000000000, 0.907183410000000, 0.250000000000000 ] mass: 32.065000 reduced_to: 18 - symbol: S # 19 coordinates: [ 0.460791180000000, 0.724175170000000, 0.941834610000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 20 coordinates: [ 0.539208820000000, 0.724175170000000, 0.558165390000000 ] mass: 32.065000 reduced_to: 20 - symbol: S # 21 coordinates: [ 0.000000000000000, 0.028180390000000, 0.250000000000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 22 coordinates: [ 0.000000000000000, 0.971819610000000, 0.750000000000000 ] mass: 32.065000 reduced_to: 2 - symbol: S # 23 coordinates: [ 0.177471420000000, 0.787173930000000, 0.774724120000000 ] mass: 32.065000 reduced_to: 3 - symbol: S # 24 coordinates: [ 0.822528580000000, 0.787173930000000, 0.725275880000000 ] mass: 32.065000 reduced_to: 4 - symbol: S # 25 coordinates: [ 0.822528580000000, 0.212826070000000, 0.225275880000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 26 coordinates: [ 0.177471420000000, 0.212826070000000, 0.274724120000000 ] mass: 32.065000 reduced_to: 6 - symbol: S # 27 coordinates: [ 0.141962140000000, 0.622847380000000, 0.458408390000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 28 coordinates: [ 0.858037860000000, 0.622847380000000, 0.041591610000000 ] mass: 32.065000 reduced_to: 8 - symbol: S # 29 coordinates: [ 0.858037860000000, 0.377152620000000, 0.541591610000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 30 coordinates: [ 0.141962140000000, 0.377152620000000, 0.958408390000000 ] mass: 32.065000 reduced_to: 10 - symbol: S # 31 coordinates: [ 0.708211600000000, 0.457100380000000, 0.097741960000000 ] mass: 32.065000 reduced_to: 11 - symbol: S # 32 coordinates: [ 0.291788400000000, 0.457100380000000, 0.402258040000000 ] mass: 32.065000 reduced_to: 12 - symbol: S # 33 coordinates: [ 0.291788400000000, 0.542899620000000, 0.902258040000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 34 coordinates: [ 0.708211600000000, 0.542899620000000, 0.597741960000000 ] mass: 32.065000 reduced_to: 14 - symbol: S # 35 coordinates: [ 0.960791180000000, 0.775824830000000, 0.441834610000000 ] mass: 32.065000 reduced_to: 15 - symbol: S # 36 coordinates: [ 0.039208820000000, 0.775824830000000, 0.058165390000000 ] mass: 32.065000 reduced_to: 16 - symbol: S # 37 coordinates: [ 0.000000000000000, 0.592816590000000, 0.750000000000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 38 coordinates: [ 0.000000000000000, 0.407183410000000, 0.250000000000000 ] mass: 32.065000 reduced_to: 18 - symbol: S # 39 coordinates: [ 0.960791180000000, 0.224175170000000, 0.941834610000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 40 coordinates: [ 0.039208820000000, 0.224175170000000, 0.558165390000000 ] mass: 32.065000 reduced_to: 20 - symbol: Ga # 41 coordinates: [ 0.572220080000000, 0.193189400000000, 0.619432940000000 ] mass: 69.723000 reduced_to: 41 - symbol: Ga # 42 coordinates: [ 0.427779920000000, 0.193189400000000, 0.880567060000000 ] mass: 69.723000 reduced_to: 42 - symbol: Ga # 43 coordinates: [ 0.427779920000000, 0.806810600000000, 0.380567060000000 ] mass: 69.723000 reduced_to: 43 - symbol: Ga # 44 coordinates: [ 0.572220080000000, 0.806810600000000, 0.119432940000000 ] mass: 69.723000 reduced_to: 44 - symbol: Ga # 45 coordinates: [ 0.397448070000000, 0.376952290000000, 0.583666080000000 ] mass: 69.723000 reduced_to: 45 - symbol: Ga # 46 coordinates: [ 0.602551930000000, 0.376952290000000, 0.916333920000000 ] mass: 69.723000 reduced_to: 46 - symbol: Ga # 47 coordinates: [ 0.602551930000000, 0.623047710000000, 0.416333920000000 ] mass: 69.723000 reduced_to: 47 - symbol: Ga # 48 coordinates: [ 0.397448070000000, 0.623047710000000, 0.083666080000000 ] mass: 69.723000 reduced_to: 48 - symbol: Ga # 49 coordinates: [ 0.072220080000000, 0.693189400000000, 0.619432940000000 ] mass: 69.723000 reduced_to: 41 - symbol: Ga # 50 coordinates: [ 0.927779920000000, 0.693189400000000, 0.880567060000000 ] mass: 69.723000 reduced_to: 42 - symbol: Ga # 51 coordinates: [ 0.927779920000000, 0.306810600000000, 0.380567060000000 ] mass: 69.723000 reduced_to: 43 - symbol: Ga # 52 coordinates: [ 0.072220080000000, 0.306810600000000, 0.119432940000000 ] mass: 69.723000 reduced_to: 44 - symbol: Ga # 53 coordinates: [ 0.897448070000000, 0.876952290000000, 0.583666080000000 ] mass: 69.723000 reduced_to: 45 - symbol: Ga # 54 coordinates: [ 0.102551930000000, 0.876952290000000, 0.916333920000000 ] mass: 69.723000 reduced_to: 46 - symbol: Ga # 55 coordinates: [ 0.102551930000000, 0.123047710000000, 0.416333920000000 ] mass: 69.723000 reduced_to: 47 - symbol: Ga # 56 coordinates: [ 0.897448070000000, 0.123047710000000, 0.083666080000000 ] mass: 69.723000 reduced_to: 48 - symbol: Ba # 57 coordinates: [ 0.852428800000000, 0.135675330000000, 0.607734740000000 ] mass: 137.327000 reduced_to: 57 - symbol: Ba # 58 coordinates: [ 0.147571200000000, 0.135675330000000, 0.892265260000000 ] mass: 137.327000 reduced_to: 58 - symbol: Ba # 59 coordinates: [ 0.147571200000000, 0.864324670000000, 0.392265260000000 ] mass: 137.327000 reduced_to: 59 - symbol: Ba # 60 coordinates: [ 0.852428800000000, 0.864324670000000, 0.107734740000000 ] mass: 137.327000 reduced_to: 60 - symbol: Ba # 61 coordinates: [ 0.652811740000000, 0.920485810000000, 0.603767120000000 ] mass: 137.327000 reduced_to: 61 - symbol: Ba # 62 coordinates: [ 0.347188260000000, 0.920485810000000, 0.896232880000000 ] mass: 137.327000 reduced_to: 62 - symbol: Ba # 63 coordinates: [ 0.347188260000000, 0.079514190000000, 0.396232880000000 ] mass: 137.327000 reduced_to: 63 - symbol: Ba # 64 coordinates: [ 0.652811740000000, 0.079514190000000, 0.103767120000000 ] mass: 137.327000 reduced_to: 64 - symbol: Ba # 65 coordinates: [ 0.352428800000000, 0.635675330000000, 0.607734740000000 ] mass: 137.327000 reduced_to: 57 - symbol: Ba # 66 coordinates: [ 0.647571200000000, 0.635675330000000, 0.892265260000000 ] mass: 137.327000 reduced_to: 58 - symbol: Ba # 67 coordinates: [ 0.647571200000000, 0.364324670000000, 0.392265260000000 ] mass: 137.327000 reduced_to: 59 - symbol: Ba # 68 coordinates: [ 0.352428800000000, 0.364324670000000, 0.107734740000000 ] mass: 137.327000 reduced_to: 60 - symbol: Ba # 69 coordinates: [ 0.152811740000000, 0.420485810000000, 0.603767120000000 ] mass: 137.327000 reduced_to: 61 - symbol: Ba # 70 coordinates: [ 0.847188260000000, 0.420485810000000, 0.896232880000000 ] mass: 137.327000 reduced_to: 62 - symbol: Ba # 71 coordinates: [ 0.847188260000000, 0.579514190000000, 0.396232880000000 ] mass: 137.327000 reduced_to: 63 - symbol: Ba # 72 coordinates: [ 0.152811740000000, 0.579514190000000, 0.103767120000000 ] mass: 137.327000 reduced_to: 64supercell: lattice: - [ 15.483006830000001, 0.000000000000000, -0.054251740000000 ] # a - [ 0.000000000000000, 14.552899650000001, 0.000000000000000 ] # b - [ -4.580854140000000, 0.000000000000000, 16.357255120000001 ] # c points: - symbol: S # 1 coordinates: [ 0.500000000000000, 0.528180390000000, 0.125000000000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 2 coordinates: [ 0.500000000000000, 0.528180390000000, 0.625000000000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 3 coordinates: [ 0.500000000000000, 0.471819610000000, 0.375000000000000 ] mass: 32.065000 reduced_to: 3 - symbol: S # 4 coordinates: [ 0.500000000000000, 0.471819610000000, 0.875000000000000 ] mass: 32.065000 reduced_to: 3 - symbol: S # 5 coordinates: [ 0.677471420000000, 0.287173930000000, 0.387362060000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 6 coordinates: [ 0.677471420000000, 0.287173930000000, 0.887362060000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 7 coordinates: [ 0.322528580000000, 0.287173930000000, 0.362637940000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 8 coordinates: [ 0.322528580000000, 0.287173930000000, 0.862637940000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 9 coordinates: [ 0.322528580000000, 0.712826070000000, 0.112637940000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 10 coordinates: [ 0.322528580000000, 0.712826070000000, 0.612637940000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 11 coordinates: [ 0.677471420000000, 0.712826070000000, 0.137362060000000 ] mass: 32.065000 reduced_to: 11 - symbol: S # 12 coordinates: [ 0.677471420000000, 0.712826070000000, 0.637362060000000 ] mass: 32.065000 reduced_to: 11 - symbol: S # 13 coordinates: [ 0.641962140000000, 0.122847380000000, 0.229204195000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 14 coordinates: [ 0.641962140000000, 0.122847380000000, 0.729204195000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 15 coordinates: [ 0.358037860000000, 0.122847380000000, 0.020795805000000 ] mass: 32.065000 reduced_to: 15 - symbol: S # 16 coordinates: [ 0.358037860000000, 0.122847380000000, 0.520795805000000 ] mass: 32.065000 reduced_to: 15 - symbol: S # 17 coordinates: [ 0.358037860000000, 0.877152620000000, 0.270795805000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 18 coordinates: [ 0.358037860000000, 0.877152620000000, 0.770795805000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 19 coordinates: [ 0.641962140000000, 0.877152620000000, 0.479204195000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 20 coordinates: [ 0.641962140000000, 0.877152620000000, 0.979204195000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 21 coordinates: [ 0.208211600000000, 0.957100380000000, 0.048870980000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 22 coordinates: [ 0.208211600000000, 0.957100380000000, 0.548870980000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 23 coordinates: [ 0.791788400000000, 0.957100380000000, 0.201129020000000 ] mass: 32.065000 reduced_to: 23 - symbol: S # 24 coordinates: [ 0.791788400000000, 0.957100380000000, 0.701129020000000 ] mass: 32.065000 reduced_to: 23 - symbol: S # 25 coordinates: [ 0.791788400000000, 0.042899620000000, 0.451129020000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 26 coordinates: [ 0.791788400000000, 0.042899620000000, 0.951129020000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 27 coordinates: [ 0.208211600000000, 0.042899620000000, 0.298870980000000 ] mass: 32.065000 reduced_to: 27 - symbol: S # 28 coordinates: [ 0.208211600000000, 0.042899620000000, 0.798870980000000 ] mass: 32.065000 reduced_to: 27 - symbol: S # 29 coordinates: [ 0.460791180000000, 0.275824830000000, 0.220917305000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 30 coordinates: [ 0.460791180000000, 0.275824830000000, 0.720917305000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 31 coordinates: [ 0.539208820000000, 0.275824830000000, 0.029082695000000 ] mass: 32.065000 reduced_to: 31 - symbol: S # 32 coordinates: [ 0.539208820000000, 0.275824830000000, 0.529082695000000 ] mass: 32.065000 reduced_to: 31 - symbol: S # 33 coordinates: [ 0.500000000000000, 0.092816590000000, 0.375000000000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 34 coordinates: [ 0.500000000000000, 0.092816590000000, 0.875000000000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 35 coordinates: [ 0.500000000000000, 0.907183410000000, 0.125000000000000 ] mass: 32.065000 reduced_to: 35 - symbol: S # 36 coordinates: [ 0.500000000000000, 0.907183410000000, 0.625000000000000 ] mass: 32.065000 reduced_to: 35 - symbol: S # 37 coordinates: [ 0.460791180000000, 0.724175170000000, 0.470917305000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 38 coordinates: [ 0.460791180000000, 0.724175170000000, 0.970917305000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 39 coordinates: [ 0.539208820000000, 0.724175170000000, 0.279082695000000 ] mass: 32.065000 reduced_to: 39 - symbol: S # 40 coordinates: [ 0.539208820000000, 0.724175170000000, 0.779082695000000 ] mass: 32.065000 reduced_to: 39 - symbol: S # 41 coordinates: [ 0.000000000000000, 0.028180390000000, 0.125000000000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 42 coordinates: [ 0.000000000000000, 0.028180390000000, 0.625000000000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 43 coordinates: [ 0.000000000000000, 0.971819610000000, 0.375000000000000 ] mass: 32.065000 reduced_to: 3 - symbol: S # 44 coordinates: [ 0.000000000000000, 0.971819610000000, 0.875000000000000 ] mass: 32.065000 reduced_to: 3 - symbol: S # 45 coordinates: [ 0.177471420000000, 0.787173930000000, 0.387362060000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 46 coordinates: [ 0.177471420000000, 0.787173930000000, 0.887362060000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 47 coordinates: [ 0.822528580000000, 0.787173930000000, 0.362637940000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 48 coordinates: [ 0.822528580000000, 0.787173930000000, 0.862637940000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 49 coordinates: [ 0.822528580000000, 0.212826070000000, 0.112637940000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 50 coordinates: [ 0.822528580000000, 0.212826070000000, 0.612637940000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 51 coordinates: [ 0.177471420000000, 0.212826070000000, 0.137362060000000 ] mass: 32.065000 reduced_to: 11 - symbol: S # 52 coordinates: [ 0.177471420000000, 0.212826070000000, 0.637362060000000 ] mass: 32.065000 reduced_to: 11 - symbol: S # 53 coordinates: [ 0.141962140000000, 0.622847380000000, 0.229204195000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 54 coordinates: [ 0.141962140000000, 0.622847380000000, 0.729204195000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 55 coordinates: [ 0.858037860000000, 0.622847380000000, 0.020795805000000 ] mass: 32.065000 reduced_to: 15 - symbol: S # 56 coordinates: [ 0.858037860000000, 0.622847380000000, 0.520795805000000 ] mass: 32.065000 reduced_to: 15 - symbol: S # 57 coordinates: [ 0.858037860000000, 0.377152620000000, 0.270795805000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 58 coordinates: [ 0.858037860000000, 0.377152620000000, 0.770795805000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 59 coordinates: [ 0.141962140000000, 0.377152620000000, 0.479204195000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 60 coordinates: [ 0.141962140000000, 0.377152620000000, 0.979204195000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 61 coordinates: [ 0.708211600000000, 0.457100380000000, 0.048870980000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 62 coordinates: [ 0.708211600000000, 0.457100380000000, 0.548870980000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 63 coordinates: [ 0.291788400000000, 0.457100380000000, 0.201129020000000 ] mass: 32.065000 reduced_to: 23 - symbol: S # 64 coordinates: [ 0.291788400000000, 0.457100380000000, 0.701129020000000 ] mass: 32.065000 reduced_to: 23 - symbol: S # 65 coordinates: [ 0.291788400000000, 0.542899620000000, 0.451129020000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 66 coordinates: [ 0.291788400000000, 0.542899620000000, 0.951129020000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 67 coordinates: [ 0.708211600000000, 0.542899620000000, 0.298870980000000 ] mass: 32.065000 reduced_to: 27 - symbol: S # 68 coordinates: [ 0.708211600000000, 0.542899620000000, 0.798870980000000 ] mass: 32.065000 reduced_to: 27 - symbol: S # 69 coordinates: [ 0.960791180000000, 0.775824830000000, 0.220917305000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 70 coordinates: [ 0.960791180000000, 0.775824830000000, 0.720917305000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 71 coordinates: [ 0.039208820000000, 0.775824830000000, 0.029082695000000 ] mass: 32.065000 reduced_to: 31 - symbol: S # 72 coordinates: [ 0.039208820000000, 0.775824830000000, 0.529082695000000 ] mass: 32.065000 reduced_to: 31 - symbol: S # 73 coordinates: [ 0.000000000000000, 0.592816590000000, 0.375000000000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 74 coordinates: [ 0.000000000000000, 0.592816590000000, 0.875000000000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 75 coordinates: [ 0.000000000000000, 0.407183410000000, 0.125000000000000 ] mass: 32.065000 reduced_to: 35 - symbol: S # 76 coordinates: [ 0.000000000000000, 0.407183410000000, 0.625000000000000 ] mass: 32.065000 reduced_to: 35 - symbol: S # 77 coordinates: [ 0.960791180000000, 0.224175170000000, 0.470917305000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 78 coordinates: [ 0.960791180000000, 0.224175170000000, 0.970917305000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 79 coordinates: [ 0.039208820000000, 0.224175170000000, 0.279082695000000 ] mass: 32.065000 reduced_to: 39 - symbol: S # 80 coordinates: [ 0.039208820000000, 0.224175170000000, 0.779082695000000 ] mass: 32.065000 reduced_to: 39 - symbol: Ga # 81 coordinates: [ 0.572220080000000, 0.193189400000000, 0.309716470000000 ] mass: 69.723000 reduced_to: 81 - symbol: Ga # 82 coordinates: [ 0.572220080000000, 0.193189400000000, 0.809716470000000 ] mass: 69.723000 reduced_to: 81 - symbol: Ga # 83 coordinates: [ 0.427779920000000, 0.193189400000000, 0.440283530000000 ] mass: 69.723000 reduced_to: 83 - symbol: Ga # 84 coordinates: [ 0.427779920000000, 0.193189400000000, 0.940283530000000 ] mass: 69.723000 reduced_to: 83 - symbol: Ga # 85 coordinates: [ 0.427779920000000, 0.806810600000000, 0.190283530000000 ] mass: 69.723000 reduced_to: 85 - symbol: Ga # 86 coordinates: [ 0.427779920000000, 0.806810600000000, 0.690283530000000 ] mass: 69.723000 reduced_to: 85 - symbol: Ga # 87 coordinates: [ 0.572220080000000, 0.806810600000000, 0.059716470000000 ] mass: 69.723000 reduced_to: 87 - symbol: Ga # 88 coordinates: [ 0.572220080000000, 0.806810600000000, 0.559716470000000 ] mass: 69.723000 reduced_to: 87 - symbol: Ga # 89 coordinates: [ 0.397448070000000, 0.376952290000000, 0.291833040000000 ] mass: 69.723000 reduced_to: 89 - symbol: Ga # 90 coordinates: [ 0.397448070000000, 0.376952290000000, 0.791833040000000 ] mass: 69.723000 reduced_to: 89 - symbol: Ga # 91 coordinates: [ 0.602551930000000, 0.376952290000000, 0.458166960000000 ] mass: 69.723000 reduced_to: 91 - symbol: Ga # 92 coordinates: [ 0.602551930000000, 0.376952290000000, 0.958166960000000 ] mass: 69.723000 reduced_to: 91 - symbol: Ga # 93 coordinates: [ 0.602551930000000, 0.623047710000000, 0.208166960000000 ] mass: 69.723000 reduced_to: 93 - symbol: Ga # 94 coordinates: [ 0.602551930000000, 0.623047710000000, 0.708166960000000 ] mass: 69.723000 reduced_to: 93 - symbol: Ga # 95 coordinates: [ 0.397448070000000, 0.623047710000000, 0.041833040000000 ] mass: 69.723000 reduced_to: 95 - symbol: Ga # 96 coordinates: [ 0.397448070000000, 0.623047710000000, 0.541833040000000 ] mass: 69.723000 reduced_to: 95 - symbol: Ga # 97 coordinates: [ 0.072220080000000, 0.693189400000000, 0.309716470000000 ] mass: 69.723000 reduced_to: 81 - symbol: Ga # 98 coordinates: [ 0.072220080000000, 0.693189400000000, 0.809716470000000 ] mass: 69.723000 reduced_to: 81 - symbol: Ga # 99 coordinates: [ 0.927779920000000, 0.693189400000000, 0.440283530000000 ] mass: 69.723000 reduced_to: 83 - symbol: Ga # 100 coordinates: [ 0.927779920000000, 0.693189400000000, 0.940283530000000 ] mass: 69.723000 reduced_to: 83 - symbol: Ga # 101 coordinates: [ 0.927779920000000, 0.306810600000000, 0.190283530000000 ] mass: 69.723000 reduced_to: 85 - symbol: Ga # 102 coordinates: [ 0.927779920000000, 0.306810600000000, 0.690283530000000 ] mass: 69.723000 reduced_to: 85 - symbol: Ga # 103 coordinates: [ 0.072220080000000, 0.306810600000000, 0.059716470000000 ] mass: 69.723000 reduced_to: 87 - symbol: Ga # 104 coordinates: [ 0.072220080000000, 0.306810600000000, 0.559716470000000 ] mass: 69.723000 reduced_to: 87 - symbol: Ga # 105 coordinates: [ 0.897448070000000, 0.876952290000000, 0.291833040000000 ] mass: 69.723000 reduced_to: 89 - symbol: Ga # 106 coordinates: [ 0.897448070000000, 0.876952290000000, 0.791833040000000 ] mass: 69.723000 reduced_to: 89 - symbol: Ga # 107 coordinates: [ 0.102551930000000, 0.876952290000000, 0.458166960000000 ] mass: 69.723000 reduced_to: 91 - symbol: Ga # 108 coordinates: [ 0.102551930000000, 0.876952290000000, 0.958166960000000 ] mass: 69.723000 reduced_to: 91 - symbol: Ga # 109 coordinates: [ 0.102551930000000, 0.123047710000000, 0.208166960000000 ] mass: 69.723000 reduced_to: 93 - symbol: Ga # 110 coordinates: [ 0.102551930000000, 0.123047710000000, 0.708166960000000 ] mass: 69.723000 reduced_to: 93 - symbol: Ga # 111 coordinates: [ 0.897448070000000, 0.123047710000000, 0.041833040000000 ] mass: 69.723000 reduced_to: 95 - symbol: Ga # 112 coordinates: [ 0.897448070000000, 0.123047710000000, 0.541833040000000 ] mass: 69.723000 reduced_to: 95 - symbol: Ba # 113 coordinates: [ 0.852428800000000, 0.135675330000000, 0.303867370000000 ] mass: 137.327000 reduced_to: 113 - symbol: Ba # 114 coordinates: [ 0.852428800000000, 0.135675330000000, 0.803867370000000 ] mass: 137.327000 reduced_to: 113 - symbol: Ba # 115 coordinates: [ 0.147571200000000, 0.135675330000000, 0.446132630000000 ] mass: 137.327000 reduced_to: 115 - symbol: Ba # 116 coordinates: [ 0.147571200000000, 0.135675330000000, 0.946132630000000 ] mass: 137.327000 reduced_to: 115 - symbol: Ba # 117 coordinates: [ 0.147571200000000, 0.864324670000000, 0.196132630000000 ] mass: 137.327000 reduced_to: 117 - symbol: Ba # 118 coordinates: [ 0.147571200000000, 0.864324670000000, 0.696132630000000 ] mass: 137.327000 reduced_to: 117 - symbol: Ba # 119 coordinates: [ 0.852428800000000, 0.864324670000000, 0.053867370000000 ] mass: 137.327000 reduced_to: 119 - symbol: Ba # 120 coordinates: [ 0.852428800000000, 0.864324670000000, 0.553867370000000 ] mass: 137.327000 reduced_to: 119 - symbol: Ba # 121 coordinates: [ 0.652811740000000, 0.920485810000000, 0.301883560000000 ] mass: 137.327000 reduced_to: 121 - symbol: Ba # 122 coordinates: [ 0.652811740000000, 0.920485810000000, 0.801883560000000 ] mass: 137.327000 reduced_to: 121 - symbol: Ba # 123 coordinates: [ 0.347188260000000, 0.920485810000000, 0.448116440000000 ] mass: 137.327000 reduced_to: 123 - symbol: Ba # 124 coordinates: [ 0.347188260000000, 0.920485810000000, 0.948116440000000 ] mass: 137.327000 reduced_to: 123 - symbol: Ba # 125 coordinates: [ 0.347188260000000, 0.079514190000000, 0.198116440000000 ] mass: 137.327000 reduced_to: 125 - symbol: Ba # 126 coordinates: [ 0.347188260000000, 0.079514190000000, 0.698116440000000 ] mass: 137.327000 reduced_to: 125 - symbol: Ba # 127 coordinates: [ 0.652811740000000, 0.079514190000000, 0.051883560000000 ] mass: 137.327000 reduced_to: 127 - symbol: Ba # 128 coordinates: [ 0.652811740000000, 0.079514190000000, 0.551883560000000 ] mass: 137.327000 reduced_to: 127 - symbol: Ba # 129 coordinates: [ 0.352428800000000, 0.635675330000000, 0.303867370000000 ] mass: 137.327000 reduced_to: 113 - symbol: Ba # 130 coordinates: [ 0.352428800000000, 0.635675330000000, 0.803867370000000 ] mass: 137.327000 reduced_to: 113 - symbol: Ba # 131 coordinates: [ 0.647571200000000, 0.635675330000000, 0.446132630000000 ] mass: 137.327000 reduced_to: 115 - symbol: Ba # 132 coordinates: [ 0.647571200000000, 0.635675330000000, 0.946132630000000 ] mass: 137.327000 reduced_to: 115 - symbol: Ba # 133 coordinates: [ 0.647571200000000, 0.364324670000000, 0.196132630000000 ] mass: 137.327000 reduced_to: 117 - symbol: Ba # 134 coordinates: [ 0.647571200000000, 0.364324670000000, 0.696132630000000 ] mass: 137.327000 reduced_to: 117 - symbol: Ba # 135 coordinates: [ 0.352428800000000, 0.364324670000000, 0.053867370000000 ] mass: 137.327000 reduced_to: 119 - symbol: Ba # 136 coordinates: [ 0.352428800000000, 0.364324670000000, 0.553867370000000 ] mass: 137.327000 reduced_to: 119 - symbol: Ba # 137 coordinates: [ 0.152811740000000, 0.420485810000000, 0.301883560000000 ] mass: 137.327000 reduced_to: 121 - symbol: Ba # 138 coordinates: [ 0.152811740000000, 0.420485810000000, 0.801883560000000 ] mass: 137.327000 reduced_to: 121 - symbol: Ba # 139 coordinates: [ 0.847188260000000, 0.420485810000000, 0.448116440000000 ] mass: 137.327000 reduced_to: 123 - symbol: Ba # 140 coordinates: [ 0.847188260000000, 0.420485810000000, 0.948116440000000 ] mass: 137.327000 reduced_to: 123 - symbol: Ba # 141 coordinates: [ 0.847188260000000, 0.579514190000000, 0.198116440000000 ] mass: 137.327000 reduced_to: 125 - symbol: Ba # 142 coordinates: [ 0.847188260000000, 0.579514190000000, 0.698116440000000 ] mass: 137.327000 reduced_to: 125 - symbol: Ba # 143 coordinates: [ 0.152811740000000, 0.579514190000000, 0.051883560000000 ] mass: 137.327000 reduced_to: 127 - symbol: Ba # 144 coordinates: [ 0.152811740000000, 0.579514190000000, 0.551883560000000 ] mass: 137.327000 reduced_to: 127displacements:- atom: 1 displacement: [ 0.0099999386121055, 0.0000000000000000, -0.0000350393225009 ] forces: - [ -0.0607718700000000, -0.0004897000000000, -0.0508479700000000 ] - [ -0.0001498700000000, -0.0000448500000000, -0.0000530200000000 ] - [ -0.0007322700000000, 0.0000516500000000, -0.0002725600000000 ] - [ -0.0007277600000000, 0.0000455200000000, -0.0002611000000000 ] - [ -0.0008592400000000, -0.0003803200000000, 0.0002356300000000 ] - [ -0.0006683100000000, -0.0003170000000000, -0.0002661700000000 ] - [ 0.0000685700000000, 0.0001428800000000, -0.0002386300000000 ] - [ -0.0001256600000000, 0.0002050400000000, 0.0002620200000000 ] - [ 0.0042487200000000, -0.0060974600000000, -0.0005673100000000 ] - [ 0.0002305200000000, 0.0000363100000000, 0.0001314900000000 ] - [ 0.0035441500000000, 0.0063338500000000, -0.0006041300000000 ] - [ -0.0005050000000000, 0.0001400800000000, 0.0001030600000000 ] - [ -0.0000986000000000, -0.0002413500000000, 0.0000057000000000 ] - [ 0.0001818100000000, 0.0000506300000000, -0.0000769300000000 ] - [ -0.0005511900000000, 0.0004455800000000, 0.0000438600000000 ] - [ -0.0002672000000000, 0.0001627800000000, -0.0000429200000000 ] - [ -0.0005537900000000, -0.0006160800000000, -0.0008080900000000 ] - [ -0.0003489200000000, -0.0001883700000000, 0.0001622400000000 ] - [ 0.0001040700000000, -0.0000229600000000, 0.0001228000000000 ] - [ -0.0001052600000000, 0.0004034400000000, -0.0008462800000000 ] - [ 0.0000445700000000, -0.0003563600000000, 0.0003391000000000 ] - [ -0.0000727800000000, 0.0000897800000000, 0.0002648500000000 ] - [ 0.0004097000000000, 0.0005164700000000, -0.0000100400000000 ] - [ 0.0002985500000000, 0.0000647400000000, -0.0000800800000000 ] - [ 0.0002300300000000, -0.0000593000000000, -0.0000178800000000 ] - [ 0.0003075200000000, -0.0000295400000000, -0.0002684700000000 ] - [ -0.0000585200000000, -0.0001305900000000, 0.0000809300000000 ] - [ -0.0001372500000000, -0.0001009800000000, 0.0003301900000000 ] - [ -0.0006230800000000, -0.0001025000000000, -0.0002832400000000 ] - [ 0.0000147000000000, -0.0001169600000000, 0.0001060500000000 ] - [ -0.0011040200000000, -0.0002687200000000, -0.0005184000000000 ] - [ -0.0004722500000000, -0.0002643500000000, -0.0001312200000000 ] - [ -0.0002584800000000, 0.0005676900000000, -0.0000236200000000 ] - [ -0.0002583300000000, 0.0006401500000000, -0.0000228500000000 ] - [ -0.0011156700000000, -0.0006053700000000, -0.0001943800000000 ] - [ -0.0001278500000000, -0.0006067600000000, 0.0000097600000000 ] - [ -0.0000458700000000, 0.0001243000000000, 0.0000627700000000 ] - [ -0.0014631900000000, -0.0005691400000000, -0.0002626900000000 ] - [ -0.0019446800000000, 0.0009136200000000, -0.0005275100000000 ] - [ -0.0005318300000000, 0.0002574400000000, -0.0001758400000000 ] - [ 0.0002841600000000, -0.0000480700000000, 0.0000664400000000 ] - [ 0.0001292300000000, -0.0000473600000000, 0.0001724100000000 ] - [ 0.0002383900000000, 0.0001074400000000, 0.0001691600000000 ] - [ 0.0002342800000000, -0.0000153300000000, 0.0001639800000000 ] - [ -0.0000936200000000, -0.0001012700000000, -0.0000738800000000 ] - [ -0.0001096500000000, -0.0002605700000000, 0.0001515600000000 ] - [ 0.0006187800000000, 0.0000852300000000, 0.0001800800000000 ] - [ 0.0006440000000000, -0.0000727900000000, -0.0000464200000000 ] - [ 0.0006815000000000, -0.0001506200000000, -0.0001810000000000 ] - [ 0.0004446300000000, 0.0000933000000000, 0.0001154000000000 ] - [ -0.0000497400000000, 0.0003225200000000, -0.0002075300000000 ] - [ -0.0002880500000000, 0.0000797700000000, 0.0000885900000000 ] - [ 0.0008697200000000, -0.0000411900000000, -0.0005061900000000 ] - [ 0.0004435800000000, -0.0001276300000000, 0.0006013400000000 ] - [ 0.0004184400000000, 0.0002541500000000, -0.0004710200000000 ] - [ -0.0000115800000000, 0.0003391000000000, 0.0006407800000000 ] - [ 0.0006994500000000, -0.0003936200000000, -0.0000720100000000 ] - [ -0.0000613500000000, -0.0001516100000000, -0.0000402300000000 ] - [ 0.0003919700000000, -0.0000594600000000, -0.0000759300000000 ] - [ 0.0011510700000000, 0.0001836600000000, -0.0001107300000000 ] - [ 0.0025620000000000, -0.0012509600000000, -0.0019026200000000 ] - [ -0.0004221100000000, -0.0000173800000000, 0.0004066600000000 ] - [ 0.0028970200000000, 0.0013913200000000, -0.0022265900000000 ] - [ -0.0000541000000000, 0.0001780300000000, 0.0000573500000000 ] - [ 0.0001459900000000, -0.0000707300000000, -0.0003882200000000 ] - [ 0.0043110500000000, -0.0000911200000000, 0.0055175400000000 ] - [ 0.0039823100000000, -0.0000664000000000, 0.0059307100000000 ] - [ -0.0002248000000000, -0.0000848900000000, -0.0000420700000000 ] - [ 0.0007393400000000, -0.0001988400000000, 0.0002081300000000 ] - [ 0.0004660300000000, -0.0002814900000000, 0.0003077000000000 ] - [ 0.0002506600000000, -0.0001852600000000, -0.0000299900000000 ] - [ -0.0000154600000000, -0.0000955500000000, 0.0000691300000000 ] - [ 0.0005078600000000, 0.0007087600000000, 0.0000364100000000 ] - [ 0.0005039200000000, 0.0005034100000000, 0.0000387300000000 ] - [ 0.0006418800000000, -0.0006038600000000, -0.0002275700000000 ] - [ 0.0002083300000000, -0.0006034900000000, 0.0003111700000000 ] - [ 0.0004048500000000, 0.0001367500000000, 0.0002766500000000 ] - [ 0.0006215700000000, 0.0003117300000000, 0.0000866600000000 ] - [ 0.0001381000000000, 0.0000676600000000, -0.0001498400000000 ] - [ -0.0000792000000000, 0.0002425600000000, 0.0000386200000000 ] - [ 0.0004373100000000, 0.0002038000000000, 0.0001919400000000 ] - [ 0.0001361000000000, 0.0002105900000000, 0.0002251900000000 ] - [ 0.0004534900000000, -0.0000094000000000, 0.0000854700000000 ] - [ 0.0007531100000000, -0.0000036200000000, 0.0000504800000000 ] - [ 0.0029123600000000, 0.0013800500000000, 0.0023391400000000 ] - [ 0.0003740200000000, -0.0001093800000000, -0.0001093400000000 ] - [ 0.0026075700000000, -0.0015734100000000, 0.0024906100000000 ] - [ 0.0000512100000000, -0.0000910400000000, 0.0000317900000000 ] - [ 0.0013906400000000, -0.0010372100000000, 0.0010957000000000 ] - [ 0.0006092100000000, -0.0002168000000000, -0.0001764400000000 ] - [ 0.0002978900000000, -0.0003535000000000, -0.0000806400000000 ] - [ 0.0010862600000000, 0.0004654200000000, 0.0011866500000000 ] - [ 0.0182464100000000, 0.0170782100000000, 0.0176135600000000 ] - [ 0.0000613300000000, 0.0002280400000000, 0.0000710800000000 ] - [ 0.0183510100000000, -0.0159804600000000, 0.0169244700000000 ] - [ 0.0003771700000000, 0.0003377800000000, -0.0000238000000000 ] - [ -0.0008622500000000, 0.0003113500000000, 0.0003100200000000 ] - [ -0.0006871200000000, 0.0002564900000000, -0.0002090700000000 ] - [ -0.0003673600000000, -0.0000577300000000, -0.0003484900000000 ] - [ -0.0005418500000000, -0.0001122100000000, 0.0001719500000000 ] - [ -0.0006272500000000, 0.0001337100000000, 0.0003120300000000 ] - [ -0.0000518300000000, -0.0000245800000000, -0.0001994200000000 ] - [ -0.0009450600000000, -0.0003323300000000, 0.0004495300000000 ] - [ -0.0003709100000000, -0.0001762900000000, -0.0000607000000000 ] - [ -0.0002801300000000, -0.0004303600000000, -0.0001557000000000 ] - [ -0.0000796700000000, -0.0003241900000000, -0.0001059700000000 ] - [ -0.0003971200000000, -0.0002421600000000, -0.0000113200000000 ] - [ -0.0005975200000000, -0.0001367100000000, -0.0000603200000000 ] - [ -0.0005369900000000, 0.0002060700000000, 0.0002496800000000 ] - [ -0.0002400200000000, 0.0002463300000000, -0.0001150900000000 ] - [ -0.0002192100000000, 0.0003624000000000, 0.0001569600000000 ] - [ 0.0000782400000000, 0.0003206500000000, -0.0002093800000000 ] - [ 0.0000389500000000, 0.0001891200000000, -0.0000016200000000 ] - [ 0.0000463700000000, 0.0000887200000000, 0.0001366400000000 ] - [ -0.0003220000000000, 0.0000362000000000, -0.0002129400000000 ] - [ -0.0003251300000000, -0.0000588800000000, -0.0003481100000000 ] - [ -0.0009781400000000, 0.0003316900000000, 0.0002382400000000 ] - [ -0.0002004900000000, 0.0000519500000000, -0.0004320100000000 ] - [ -0.0006123000000000, -0.0004592700000000, 0.0005856300000000 ] - [ 0.0001657200000000, -0.0001774200000000, -0.0000829200000000 ] - [ 0.0004868600000000, -0.0003998100000000, -0.0004318900000000 ] - [ 0.0000931300000000, -0.0000509900000000, -0.0000244700000000 ] - [ -0.0001909800000000, -0.0000271100000000, 0.0003299600000000 ] - [ 0.0002005300000000, 0.0003263300000000, -0.0000767300000000 ] - [ 0.0000427000000000, 0.0001541300000000, 0.0003438300000000 ] - [ -0.0000737200000000, 0.0000178100000000, 0.0000955100000000 ] - [ 0.0003278600000000, -0.0000737900000000, -0.0000091500000000 ] - [ 0.0002088600000000, 0.0000639800000000, -0.0002612600000000 ] - [ -0.0001287600000000, 0.0005348400000000, 0.0019779300000000 ] - [ 0.0010539600000000, 0.0005497200000000, -0.0007596800000000 ] - [ 0.0006951700000000, -0.0004284700000000, -0.0011050300000000 ] - [ -0.0004893300000000, -0.0004108600000000, 0.0016332500000000 ] - [ 0.0024505400000000, -0.0013738900000000, 0.0018413200000000 ] - [ -0.0000711600000000, -0.0000182000000000, -0.0002081700000000 ] - [ 0.0027555300000000, 0.0011491400000000, 0.0021273900000000 ] - [ 0.0002948600000000, -0.0001114400000000, 0.0001381800000000 ] - [ -0.0004789800000000, -0.0002316000000000, 0.0002581900000000 ] - [ -0.0003850200000000, -0.0008934900000000, -0.0012542200000000 ] - [ -0.0006662500000000, 0.0008152900000000, -0.0009022700000000 ] - [ -0.0007592700000000, 0.0001517200000000, 0.0006146600000000 ] - [ -0.0019278700000000, 0.0001450300000000, 0.0004611600000000 ] - [ -0.0002647800000000, 0.0000007100000000, -0.0001263900000000 ] - [ -0.0016465800000000, -0.0000681000000000, 0.0001033100000000 ] - [ 0.0000160500000000, 0.0000782700000000, -0.0004814200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0882552900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003705900000000, 0.0000000000000000 ] - [ -0.0000002400000000, -0.0002714800000000, -0.0007088400000000 ] - [ 0.0000002400000000, -0.0002714800000000, 0.0007088400000000 ] - [ -0.0003863100000000, 0.0000128200000000, -0.0006116500000000 ] - [ -0.0005985700000000, 0.0000593200000000, 0.0003250100000000 ] - [ 0.0005985700000000, 0.0000593200000000, -0.0003250100000000 ] - [ 0.0003863100000000, 0.0000128200000000, 0.0006116500000000 ] - [ -0.0056953600000000, 0.0038767700000000, -0.0003817000000000 ] - [ 0.0002386300000000, -0.0000651700000000, -0.0000242400000000 ] - [ 0.0056953600000000, 0.0038767700000000, 0.0003817000000000 ] - [ -0.0002386300000000, -0.0000651700000000, 0.0000242400000000 ] - [ 0.0001010900000000, 0.0012197500000000, -0.0001184600000000 ] - [ 0.0001134900000000, 0.0003340400000000, 0.0000896400000000 ] - [ -0.0001010900000000, 0.0012197500000000, 0.0001184600000000 ] - [ -0.0001134900000000, 0.0003340400000000, -0.0000896400000000 ] - [ -0.0008839800000000, 0.0007200500000000, 0.0005872900000000 ] - [ -0.0002636500000000, 0.0001873600000000, -0.0004941100000000 ] - [ 0.0002636500000000, 0.0001873600000000, 0.0004941100000000 ] - [ 0.0008839800000000, 0.0007200500000000, -0.0005872900000000 ] - [ -0.0003990000000000, 0.0006513100000000, -0.0000161700000000 ] - [ -0.0002125300000000, 0.0001842500000000, 0.0001932800000000 ] - [ 0.0003990000000000, 0.0006513100000000, 0.0000161700000000 ] - [ 0.0002125300000000, 0.0001842500000000, -0.0001932800000000 ] - [ 0.0002429300000000, 0.0001518000000000, -0.0000916200000000 ] - [ 0.0002981400000000, 0.0003050900000000, -0.0000854900000000 ] - [ -0.0002981400000000, 0.0003050900000000, 0.0000854900000000 ] - [ -0.0002429300000000, 0.0001518000000000, 0.0000916200000000 ] - [ 0.0004144500000000, 0.0015787600000000, -0.0011174500000000 ] - [ 0.0001965000000000, -0.0000830600000000, 0.0002898600000000 ] - [ -0.0004144500000000, 0.0015787600000000, 0.0011174500000000 ] - [ -0.0001965000000000, -0.0000830600000000, -0.0002898600000000 ] - [ 0.0001350000000000, 0.0011922400000000, -0.0004332100000000 ] - [ -0.0001350000000000, 0.0011922400000000, 0.0004332100000000 ] - [ 0.0000000000000000, 0.0005823600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0005215800000000, 0.0000000000000000 ] - [ 0.0000941500000000, -0.0000407200000000, 0.0003673000000000 ] - [ -0.0003158300000000, 0.0052204100000000, -0.0054608200000000 ] - [ 0.0003158300000000, 0.0052204100000000, 0.0054608200000000 ] - [ -0.0000941500000000, -0.0000407200000000, -0.0003673000000000 ] - [ 0.0000000000000000, 0.0003293700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000941100000000, 0.0000000000000000 ] - [ 0.0000631200000000, 0.0001635700000000, 0.0000870800000000 ] - [ -0.0000631200000000, 0.0001635700000000, -0.0000870800000000 ] - [ -0.0004387900000000, -0.0001143800000000, 0.0000786700000000 ] - [ -0.0005673700000000, -0.0002749400000000, -0.0002722400000000 ] - [ 0.0005673700000000, -0.0002749400000000, 0.0002722400000000 ] - [ 0.0004387900000000, -0.0001143800000000, -0.0000786700000000 ] - [ 0.0002123000000000, 0.0004003500000000, 0.0001429300000000 ] - [ 0.0003598600000000, 0.0001771100000000, 0.0000202300000000 ] - [ -0.0002123000000000, 0.0004003500000000, -0.0001429300000000 ] - [ -0.0003598600000000, 0.0001771100000000, -0.0000202300000000 ] - [ 0.0000241800000000, -0.0002671200000000, 0.0000253300000000 ] - [ 0.0002216100000000, -0.0001396800000000, 0.0000580300000000 ] - [ -0.0000241800000000, -0.0002671200000000, -0.0000253300000000 ] - [ -0.0002216100000000, -0.0001396800000000, -0.0000580300000000 ] - [ -0.0011104000000000, -0.0003691500000000, -0.0001660300000000 ] - [ -0.0002747300000000, -0.0001058100000000, 0.0001106900000000 ] - [ 0.0002747300000000, -0.0001058100000000, -0.0001106900000000 ] - [ 0.0011104000000000, -0.0003691500000000, 0.0001660300000000 ] - [ -0.0020057900000000, -0.0004012100000000, 0.0012175000000000 ] - [ -0.0002645100000000, -0.0002194100000000, -0.0000208000000000 ] - [ 0.0020057900000000, -0.0004012100000000, -0.0012175000000000 ] - [ 0.0002645100000000, -0.0002194100000000, 0.0000208000000000 ] - [ 0.0000912400000000, -0.0003844000000000, -0.0001696700000000 ] - [ 0.0020259900000000, -0.0018098300000000, 0.0019706100000000 ] - [ -0.0020259900000000, -0.0018098300000000, -0.0019706100000000 ] - [ -0.0000912400000000, -0.0003844000000000, 0.0001696700000000 ] - [ 0.0004147800000000, -0.0003251800000000, 0.0002892400000000 ] - [ 0.0002149900000000, -0.0002530900000000, 0.0000435200000000 ] - [ -0.0004147800000000, -0.0003251800000000, -0.0002892400000000 ] - [ -0.0002149900000000, -0.0002530900000000, -0.0000435200000000 ] - [ -0.0000765200000000, 0.0003968600000000, 0.0001055600000000 ] - [ 0.0000765200000000, 0.0003968600000000, -0.0001055600000000 ] - [ 0.0000000000000000, -0.0005604500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0005908100000000, 0.0000000000000000 ] - [ 0.0002464000000000, 0.0003144800000000, 0.0001096700000000 ] - [ 0.0003427300000000, 0.0004413500000000, 0.0001834800000000 ] - [ -0.0003427300000000, 0.0004413500000000, -0.0001834800000000 ] - [ -0.0002464000000000, 0.0003144800000000, -0.0001096700000000 ] - [ 0.0005702000000000, -0.0008475700000000, 0.0008196400000000 ] - [ -0.0001155700000000, -0.0000908300000000, -0.0001797500000000 ] - [ 0.0001155700000000, -0.0000908300000000, 0.0001797500000000 ] - [ -0.0005702000000000, -0.0008475700000000, -0.0008196400000000 ] - [ 0.0008240700000000, -0.0026288500000000, -0.0004045200000000 ] - [ 0.0001151000000000, -0.0000106700000000, 0.0001509000000000 ] - [ -0.0008240700000000, -0.0026288500000000, 0.0004045200000000 ] - [ -0.0001151000000000, -0.0000106700000000, -0.0001509000000000 ] - [ -0.0008131900000000, -0.0004360500000000, 0.0012490000000000 ] - [ 0.0000938500000000, -0.0002778400000000, -0.0005400400000000 ] - [ -0.0000938500000000, -0.0002778400000000, 0.0005400400000000 ] - [ 0.0008131900000000, -0.0004360500000000, -0.0012490000000000 ] - [ 0.0178233500000000, 0.0344250600000000, 0.0203372000000000 ] - [ -0.0002775700000000, 0.0007141200000000, 0.0000754000000000 ] - [ -0.0178233500000000, 0.0344250600000000, -0.0203372000000000 ] - [ 0.0002775700000000, 0.0007141200000000, -0.0000754000000000 ] - [ -0.0001761100000000, 0.0002836300000000, -0.0001068300000000 ] - [ -0.0001470900000000, 0.0004426000000000, 0.0001925600000000 ] - [ 0.0001470900000000, 0.0004426000000000, -0.0001925600000000 ] - [ 0.0001761100000000, 0.0002836300000000, 0.0001068300000000 ] - [ 0.0004044300000000, -0.0004527000000000, -0.0002069000000000 ] - [ 0.0001736600000000, -0.0001645500000000, -0.0000779100000000 ] - [ -0.0004044300000000, -0.0004527000000000, 0.0002069000000000 ] - [ -0.0001736600000000, -0.0001645500000000, 0.0000779100000000 ] - [ -0.0000554500000000, -0.0003913100000000, -0.0002879100000000 ] - [ 0.0001322200000000, -0.0003158900000000, 0.0000378900000000 ] - [ -0.0001322200000000, -0.0003158900000000, -0.0000378900000000 ] - [ 0.0000554500000000, -0.0003913100000000, 0.0002879100000000 ] - [ -0.0002151400000000, -0.0001286700000000, 0.0001648400000000 ] - [ -0.0001294800000000, 0.0000975000000000, 0.0000711200000000 ] - [ 0.0002151400000000, -0.0001286700000000, -0.0001648400000000 ] - [ 0.0001294800000000, 0.0000975000000000, -0.0000711200000000 ] - [ 0.0003363500000000, -0.0003863200000000, 0.0002154700000000 ] - [ 0.0002414800000000, -0.0001454100000000, 0.0001556000000000 ] - [ -0.0002414800000000, -0.0001454100000000, -0.0001556000000000 ] - [ -0.0003363500000000, -0.0003863200000000, -0.0002154700000000 ] - [ 0.0005852100000000, -0.0004993600000000, -0.0004028300000000 ] - [ -0.0000529700000000, -0.0001042100000000, -0.0000891100000000 ] - [ -0.0005852100000000, -0.0004993600000000, 0.0004028300000000 ] - [ 0.0000529700000000, -0.0001042100000000, 0.0000891100000000 ] - [ -0.0005579000000000, -0.0015231100000000, -0.0005296000000000 ] - [ -0.0000393400000000, -0.0003975700000000, 0.0001217400000000 ] - [ 0.0000393400000000, -0.0003975700000000, -0.0001217400000000 ] - [ 0.0005579000000000, -0.0015231100000000, 0.0005296000000000 ] - [ -0.0003563200000000, -0.0011818000000000, 0.0002074900000000 ] - [ -0.0002245400000000, -0.0003378800000000, 0.0001052800000000 ] - [ 0.0003563200000000, -0.0011818000000000, -0.0002074900000000 ] - [ 0.0002245400000000, -0.0003378800000000, -0.0001052800000000 ] - [ 0.0011172500000000, 0.0015253600000000, -0.0006106500000000 ] - [ 0.0007547000000000, 0.0012813900000000, 0.0008887000000000 ] - [ -0.0007547000000000, 0.0012813900000000, -0.0008887000000000 ] - [ -0.0011172500000000, 0.0015253600000000, 0.0006106500000000 ] - [ -0.0006668600000000, 0.0017752000000000, -0.0005486900000000 ] - [ -0.0001194100000000, 0.0000645600000000, -0.0002200500000000 ] - [ 0.0006668600000000, 0.0017752000000000, 0.0005486900000000 ] - [ 0.0001194100000000, 0.0000645600000000, 0.0002200500000000 ] - [ -0.0000949700000000, 0.0001272800000000, 0.0000927600000000 ] - [ -0.0000303900000000, -0.0000244900000000, -0.0005548800000000 ] - [ 0.0000303900000000, -0.0000244900000000, 0.0005548800000000 ] - [ 0.0000949700000000, 0.0001272800000000, -0.0000927600000000 ] - [ -0.0003769600000000, 0.0015525400000000, -0.0003337900000000 ] - [ -0.0001595500000000, 0.0002392100000000, 0.0002257000000000 ] - [ 0.0003769600000000, 0.0015525400000000, 0.0003337900000000 ] - [ 0.0001595500000000, 0.0002392100000000, -0.0002257000000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0871220000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002789900000000, 0.0000000000000000 ] - [ 0.0000032300000000, 0.0003707500000000, 0.0007154200000000 ] - [ -0.0000032300000000, 0.0003707500000000, -0.0007154200000000 ] - [ -0.0003491000000000, -0.0001857300000000, 0.0005874000000000 ] - [ -0.0001327300000000, -0.0002355400000000, -0.0003606100000000 ] - [ 0.0001327300000000, -0.0002355400000000, 0.0003606100000000 ] - [ 0.0003491000000000, -0.0001857300000000, -0.0005874000000000 ] - [ 0.0063704300000000, -0.0036802100000000, 0.0004144600000000 ] - [ 0.0004961600000000, 0.0002416900000000, 0.0000575500000000 ] - [ -0.0063704300000000, -0.0036802100000000, -0.0004144600000000 ] - [ -0.0004961600000000, 0.0002416900000000, -0.0000575500000000 ] - [ 0.0003515600000000, -0.0010207600000000, 0.0000817000000000 ] - [ 0.0003405700000000, -0.0001280400000000, -0.0001301700000000 ] - [ -0.0003515600000000, -0.0010207600000000, -0.0000817000000000 ] - [ -0.0003405700000000, -0.0001280400000000, 0.0001301700000000 ] - [ 0.0004337100000000, -0.0009316800000000, -0.0005514400000000 ] - [ -0.0001889000000000, -0.0003955700000000, 0.0005321700000000 ] - [ 0.0001889000000000, -0.0003955700000000, -0.0005321700000000 ] - [ -0.0004337100000000, -0.0009316800000000, 0.0005514400000000 ] - [ 0.0000300100000000, -0.0004964100000000, 0.0003645600000000 ] - [ -0.0001578900000000, -0.0000297400000000, 0.0001538600000000 ] - [ -0.0000300100000000, -0.0004964100000000, -0.0003645600000000 ] - [ 0.0001578900000000, -0.0000297400000000, -0.0001538600000000 ] - [ 0.0001268600000000, -0.0003105100000000, -0.0002569700000000 ] - [ 0.0000706100000000, -0.0004641200000000, -0.0002643200000000 ] - [ -0.0000706100000000, -0.0004641200000000, 0.0002643200000000 ] - [ -0.0001268600000000, -0.0003105100000000, 0.0002569700000000 ] - [ 0.0000702100000000, -0.0019873000000000, 0.0013715500000000 ] - [ 0.0002879100000000, -0.0002969200000000, -0.0000522400000000 ] - [ -0.0000702100000000, -0.0019873000000000, -0.0013715500000000 ] - [ -0.0002879100000000, -0.0002969200000000, 0.0000522400000000 ] - [ -0.0001360200000000, 0.0000091700000000, 0.0004387900000000 ] - [ 0.0001360200000000, 0.0000091700000000, -0.0004387900000000 ] - [ 0.0000000000000000, -0.0017923700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0006853500000000, 0.0000000000000000 ] - [ 0.0003922000000000, 0.0004230900000000, -0.0001289700000000 ] - [ 0.0008111400000000, -0.0048045300000000, 0.0056353100000000 ] - [ -0.0008111400000000, -0.0048045300000000, -0.0056353100000000 ] - [ -0.0003922000000000, 0.0004230900000000, 0.0001289700000000 ] - [ 0.0000000000000000, -0.0004225000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001871600000000, 0.0000000000000000 ] - [ -0.0000622900000000, -0.0000736500000000, -0.0000854900000000 ] - [ 0.0000622900000000, -0.0000736500000000, 0.0000854900000000 ] - [ -0.0002983200000000, -0.0000615500000000, -0.0001107800000000 ] - [ -0.0001664100000000, 0.0000960700000000, 0.0002398900000000 ] - [ 0.0001664100000000, 0.0000960700000000, -0.0002398900000000 ] - [ 0.0002983200000000, -0.0000615500000000, 0.0001107800000000 ] - [ 0.0005259700000000, -0.0002251700000000, -0.0001111200000000 ] - [ 0.0003762300000000, -0.0000008300000000, 0.0000120200000000 ] - [ -0.0005259700000000, -0.0002251700000000, 0.0001111200000000 ] - [ -0.0003762300000000, -0.0000008300000000, -0.0000120200000000 ] - [ 0.0004285900000000, 0.0004743600000000, -0.0000650300000000 ] - [ 0.0002329700000000, 0.0003432100000000, -0.0000925100000000 ] - [ -0.0004285900000000, 0.0004743600000000, 0.0000650300000000 ] - [ -0.0002329700000000, 0.0003432100000000, 0.0000925100000000 ] - [ 0.0006648400000000, 0.0001699700000000, 0.0002101600000000 ] - [ -0.0001772100000000, -0.0001003800000000, -0.0000720700000000 ] - [ 0.0001772100000000, -0.0001003800000000, 0.0000720700000000 ] - [ -0.0006648400000000, 0.0001699700000000, -0.0002101600000000 ] - [ 0.0016414500000000, 0.0005730600000000, -0.0008691200000000 ] - [ -0.0001035400000000, 0.0003777400000000, 0.0003676600000000 ] - [ -0.0016414500000000, 0.0005730600000000, 0.0008691200000000 ] - [ 0.0001035400000000, 0.0003777400000000, -0.0003676600000000 ] - [ 0.0002774700000000, 0.0002282500000000, -0.0001791900000000 ] - [ -0.0016118200000000, 0.0016815600000000, -0.0022679700000000 ] - [ 0.0016118200000000, 0.0016815600000000, 0.0022679700000000 ] - [ -0.0002774700000000, 0.0002282500000000, 0.0001791900000000 ] - [ 0.0000711800000000, -0.0000590200000000, -0.0000500000000000 ] - [ 0.0002700900000000, -0.0001284300000000, 0.0001957700000000 ] - [ -0.0000711800000000, -0.0000590200000000, 0.0000500000000000 ] - [ -0.0002700900000000, -0.0001284300000000, -0.0001957700000000 ] - [ 0.0000751200000000, 0.0008090300000000, -0.0001058400000000 ] - [ -0.0000751200000000, 0.0008090300000000, 0.0001058400000000 ] - [ 0.0000000000000000, -0.0006467000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0006146100000000, 0.0000000000000000 ] - [ 0.0002390500000000, 0.0000689800000000, 0.0001298800000000 ] - [ 0.0001428200000000, -0.0000596500000000, 0.0000558100000000 ] - [ -0.0001428200000000, -0.0000596500000000, -0.0000558100000000 ] - [ -0.0002390500000000, 0.0000689800000000, -0.0001298800000000 ] - [ -0.0009020300000000, 0.0010622800000000, -0.0006883500000000 ] - [ -0.0002094000000000, 0.0002977300000000, 0.0003247100000000 ] - [ 0.0002094000000000, 0.0002977300000000, -0.0003247100000000 ] - [ 0.0009020300000000, 0.0010622800000000, 0.0006883500000000 ] - [ -0.0004981800000000, 0.0024276600000000, 0.0002648100000000 ] - [ 0.0002100100000000, -0.0001968300000000, -0.0002927500000000 ] - [ 0.0004981800000000, 0.0024276600000000, -0.0002648100000000 ] - [ -0.0002100100000000, -0.0001968300000000, 0.0002927500000000 ] - [ 0.0011479900000000, -0.0001394300000000, -0.0013475000000000 ] - [ 0.0002264400000000, -0.0002935600000000, 0.0004514800000000 ] - [ -0.0002264400000000, -0.0002935600000000, -0.0004514800000000 ] - [ -0.0011479900000000, -0.0001394300000000, 0.0013475000000000 ] - [ -0.0173963400000000, -0.0333040700000000, -0.0194214000000000 ] - [ -0.0000444600000000, -0.0001482000000000, 0.0000142300000000 ] - [ 0.0173963400000000, -0.0333040700000000, 0.0194214000000000 ] - [ 0.0000444600000000, -0.0001482000000000, -0.0000142300000000 ] - [ -0.0001491400000000, -0.0000730300000000, 0.0002478900000000 ] - [ -0.0001815900000000, -0.0002316900000000, -0.0000490100000000 ] - [ 0.0001815900000000, -0.0002316900000000, 0.0000490100000000 ] - [ 0.0001491400000000, -0.0000730300000000, -0.0002478900000000 ] - [ -0.0000800000000000, 0.0002451700000000, 0.0000641300000000 ] - [ 0.0001494100000000, -0.0000446900000000, -0.0000625400000000 ] - [ 0.0000800000000000, 0.0002451700000000, -0.0000641300000000 ] - [ -0.0001494100000000, -0.0000446900000000, 0.0000625400000000 ] - [ 0.0003792000000000, -0.0001753400000000, 0.0001973800000000 ] - [ 0.0001912300000000, -0.0002509200000000, -0.0001252200000000 ] - [ -0.0001912300000000, -0.0002509200000000, 0.0001252200000000 ] - [ -0.0003792000000000, -0.0001753400000000, -0.0001973800000000 ] - [ -0.0001063800000000, 0.0006978000000000, -0.0000774300000000 ] - [ -0.0001914600000000, 0.0004699200000000, 0.0000191900000000 ] - [ 0.0001063800000000, 0.0006978000000000, 0.0000774300000000 ] - [ 0.0001914600000000, 0.0004699200000000, -0.0000191900000000 ] - [ 0.0000350400000000, 0.0005220600000000, 0.0001311600000000 ] - [ 0.0001335300000000, 0.0002808100000000, 0.0001940300000000 ] - [ -0.0001335300000000, 0.0002808100000000, -0.0001940300000000 ] - [ -0.0000350400000000, 0.0005220600000000, -0.0001311600000000 ] - [ -0.0009607100000000, 0.0003653500000000, 0.0000532300000000 ] - [ -0.0003220400000000, -0.0000281500000000, -0.0002602400000000 ] - [ 0.0009607100000000, 0.0003653500000000, -0.0000532300000000 ] - [ 0.0003220400000000, -0.0000281500000000, 0.0002602400000000 ] - [ 0.0008249900000000, 0.0014435400000000, 0.0001745800000000 ] - [ 0.0003072100000000, 0.0003146300000000, -0.0004788900000000 ] - [ -0.0003072100000000, 0.0003146300000000, 0.0004788900000000 ] - [ -0.0008249900000000, 0.0014435400000000, -0.0001745800000000 ] - [ 0.0000926900000000, 0.0012741400000000, 0.0001475700000000 ] - [ -0.0000415600000000, 0.0004240800000000, 0.0002524800000000 ] - [ -0.0000926900000000, 0.0012741400000000, -0.0001475700000000 ] - [ 0.0000415600000000, 0.0004240800000000, -0.0002524800000000 ] - [ -0.0007498000000000, -0.0013913400000000, 0.0009666300000000 ] - [ -0.0003706900000000, -0.0011430400000000, -0.0005471300000000 ] - [ 0.0003706900000000, -0.0011430400000000, 0.0005471300000000 ] - [ 0.0007498000000000, -0.0013913400000000, -0.0009666300000000 ] - [ 0.0003742900000000, -0.0020112300000000, 0.0002555300000000 ] - [ -0.0002577200000000, -0.0002009400000000, -0.0001281200000000 ] - [ -0.0003742900000000, -0.0020112300000000, -0.0002555300000000 ] - [ 0.0002577200000000, -0.0002009400000000, 0.0001281200000000 ] - [ 0.0003646400000000, -0.0002138400000000, -0.0004491800000000 ] - [ 0.0002954100000000, -0.0000713400000000, 0.0001925000000000 ] - [ -0.0002954100000000, -0.0000713400000000, -0.0001925000000000 ] - [ -0.0003646400000000, -0.0002138400000000, 0.0004491800000000 ] - [ 0.0001172500000000, -0.0014693500000000, 0.0006814500000000 ] - [ -0.0001094600000000, -0.0001555100000000, 0.0001318400000000 ] - [ -0.0001172500000000, -0.0014693500000000, -0.0006814500000000 ] - [ 0.0001094600000000, -0.0001555100000000, -0.0001318400000000 ]- atom: 1 displacement: [ -0.0026967483687124, 0.0000000000000000, 0.0096295144340640 ] forces: - [ -0.0327257700000000, -0.0003578200000000, -0.0471602100000000 ] - [ -0.0000013200000000, -0.0000579800000000, 0.0002843000000000 ] - [ -0.0000677100000000, -0.0006350300000000, 0.0008306400000000 ] - [ -0.0000624400000000, 0.0007338500000000, 0.0008254200000000 ] - [ -0.0004702500000000, -0.0003726600000000, 0.0000965200000000 ] - [ -0.0005575300000000, 0.0000287600000000, 0.0000447000000000 ] - [ 0.0001722500000000, -0.0002066500000000, 0.0000818400000000 ] - [ 0.0002525700000000, 0.0002019700000000, 0.0001281400000000 ] - [ -0.0003508500000000, 0.0001581500000000, -0.0014963100000000 ] - [ 0.0002158500000000, 0.0001533300000000, 0.0003963800000000 ] - [ -0.0010895000000000, 0.0000031700000000, -0.0015319100000000 ] - [ -0.0005102500000000, 0.0000352200000000, 0.0003489100000000 ] - [ 0.0001776700000000, -0.0001114800000000, -0.0002337200000000 ] - [ 0.0000893100000000, 0.0001486900000000, 0.0001616100000000 ] - [ -0.0002651700000000, 0.0003181000000000, -0.0001840500000000 ] - [ -0.0003336200000000, 0.0000710500000000, 0.0001936100000000 ] - [ -0.0007916200000000, 0.0001320200000000, -0.0003451500000000 ] - [ -0.0002504900000000, -0.0003304300000000, 0.0005316700000000 ] - [ 0.0001768700000000, 0.0001158300000000, 0.0004949400000000 ] - [ -0.0003549800000000, -0.0003455600000000, -0.0003856000000000 ] - [ -0.0000694800000000, 0.0000471800000000, -0.0000738300000000 ] - [ -0.0001415500000000, 0.0001182200000000, 0.0003794800000000 ] - [ 0.0002980900000000, 0.0001081000000000, -0.0004278900000000 ] - [ 0.0002049300000000, 0.0000538500000000, 0.0000001900000000 ] - [ 0.0003019000000000, -0.0000217600000000, 0.0000088300000000 ] - [ 0.0001134100000000, -0.0001471100000000, -0.0003059500000000 ] - [ -0.0002448300000000, -0.0000124900000000, 0.0000519000000000 ] - [ -0.0000678100000000, -0.0001316700000000, 0.0003593300000000 ] - [ -0.0000935000000000, -0.0006780800000000, -0.0000893800000000 ] - [ 0.0001323100000000, 0.0000593400000000, 0.0003989700000000 ] - [ -0.0005707400000000, 0.0003026400000000, -0.0003181800000000 ] - [ -0.0003669800000000, -0.0004556500000000, 0.0001671700000000 ] - [ -0.0001294900000000, 0.0005386900000000, 0.0000902600000000 ] - [ -0.0001163700000000, 0.0006527200000000, 0.0000811100000000 ] - [ 0.0001769700000000, -0.0005950700000000, -0.0011438300000000 ] - [ -0.0002076800000000, -0.0005945200000000, 0.0003101100000000 ] - [ 0.0000429500000000, 0.0002079500000000, 0.0004568400000000 ] - [ 0.0003668800000000, -0.0059997700000000, 0.0027902900000000 ] - [ -0.0001313100000000, 0.0064408400000000, 0.0025781100000000 ] - [ -0.0004563200000000, 0.0001923900000000, 0.0002309600000000 ] - [ -0.0000024700000000, -0.0000559200000000, -0.0001038700000000 ] - [ 0.0001308100000000, -0.0000485800000000, 0.0001817600000000 ] - [ 0.0000894100000000, 0.0001258400000000, 0.0000471800000000 ] - [ 0.0001100300000000, -0.0000126100000000, 0.0000706400000000 ] - [ -0.0003336000000000, -0.0000277700000000, 0.0000108900000000 ] - [ -0.0001323200000000, -0.0002474700000000, -0.0000410400000000 ] - [ 0.0005974100000000, 0.0000738000000000, -0.0000089500000000 ] - [ 0.0003915300000000, -0.0001615600000000, 0.0000610800000000 ] - [ 0.0004471400000000, -0.0000320500000000, -0.0002352000000000 ] - [ 0.0004339400000000, 0.0001416900000000, 0.0001876000000000 ] - [ -0.0002817100000000, 0.0002127300000000, -0.0002762800000000 ] - [ -0.0002997800000000, 0.0000369100000000, 0.0001511300000000 ] - [ 0.0002148900000000, 0.0000871400000000, -0.0002887200000000 ] - [ 0.0004479700000000, -0.0000756900000000, 0.0004709200000000 ] - [ -0.0002166500000000, 0.0001283600000000, -0.0002489500000000 ] - [ 0.0000160200000000, 0.0002897500000000, 0.0005123300000000 ] - [ 0.0004530100000000, -0.0002384600000000, -0.0003058400000000 ] - [ -0.0002176800000000, -0.0000939300000000, 0.0002100800000000 ] - [ 0.0002091100000000, -0.0001236700000000, 0.0001744400000000 ] - [ 0.0008804400000000, 0.0000230800000000, -0.0003433900000000 ] - [ -0.0018806100000000, 0.0007224800000000, -0.0003256700000000 ] - [ -0.0001307800000000, -0.0000398400000000, 0.0006805700000000 ] - [ -0.0015060200000000, -0.0005694500000000, -0.0006860700000000 ] - [ 0.0002292700000000, 0.0001987400000000, 0.0003218700000000 ] - [ 0.0000165100000000, -0.0000866600000000, 0.0001013200000000 ] - [ 0.0044380900000000, -0.0001118400000000, 0.0033458200000000 ] - [ 0.0041191200000000, -0.0000540900000000, 0.0037479400000000 ] - [ -0.0003367900000000, -0.0000820800000000, 0.0004746700000000 ] - [ 0.0002942300000000, -0.0000998300000000, 0.0000087200000000 ] - [ 0.0003869800000000, -0.0002823700000000, 0.0002862500000000 ] - [ -0.0001941400000000, -0.0002845700000000, -0.0002207100000000 ] - [ -0.0001138400000000, -0.0001171700000000, 0.0000583800000000 ] - [ 0.0002411600000000, 0.0007126900000000, 0.0000054200000000 ] - [ 0.0002379400000000, 0.0004803800000000, 0.0000071200000000 ] - [ 0.0001760700000000, -0.0005962500000000, -0.0003001100000000 ] - [ 0.0001131500000000, -0.0005976700000000, 0.0003118100000000 ] - [ 0.0003468100000000, 0.0001401100000000, 0.0002546300000000 ] - [ 0.0003655000000000, 0.0003028700000000, -0.0000068500000000 ] - [ -0.0001297200000000, 0.0000884000000000, -0.0002390000000000 ] - [ -0.0001436600000000, 0.0002476400000000, 0.0000222600000000 ] - [ -0.0000313100000000, 0.0003080500000000, 0.0000751600000000 ] - [ 0.0000092300000000, -0.0000213900000000, -0.0000322800000000 ] - [ 0.0003285000000000, 0.0002156000000000, -0.0001624500000000 ] - [ 0.0002855600000000, -0.0001184800000000, -0.0000608100000000 ] - [ 0.0017887500000000, -0.0012965200000000, 0.0021827600000000 ] - [ 0.0003161200000000, -0.0000536400000000, -0.0004841000000000 ] - [ 0.0014626500000000, 0.0011034600000000, 0.0023079300000000 ] - [ 0.0000039300000000, -0.0001475900000000, -0.0003526900000000 ] - [ 0.0009900400000000, 0.0004540000000000, 0.0000088500000000 ] - [ -0.0001943100000000, -0.0007678300000000, -0.0006030300000000 ] - [ -0.0005040700000000, 0.0002036300000000, -0.0005079300000000 ] - [ 0.0006683900000000, -0.0010261500000000, 0.0001030700000000 ] - [ 0.0117548400000000, 0.0142351100000000, 0.0171966100000000 ] - [ 0.0000686500000000, 0.0002096800000000, -0.0003330600000000 ] - [ 0.0116833900000000, -0.0133828200000000, 0.0170388500000000 ] - [ 0.0003832100000000, 0.0003495100000000, -0.0004270700000000 ] - [ -0.0003032900000000, -0.0000098600000000, 0.0001604100000000 ] - [ -0.0005041700000000, 0.0003169400000000, -0.0001312300000000 ] - [ -0.0001849700000000, -0.0001216700000000, -0.0002593200000000 ] - [ 0.0000081100000000, 0.0002064000000000, 0.0000201500000000 ] - [ -0.0001681200000000, 0.0000357300000000, 0.0004205900000000 ] - [ 0.0000749700000000, -0.0001028600000000, -0.0002761300000000 ] - [ -0.0004821600000000, -0.0002327100000000, 0.0005505300000000 ] - [ -0.0002396700000000, -0.0000891400000000, -0.0001420000000000 ] - [ 0.0000030000000000, -0.0004350600000000, 0.0001085400000000 ] - [ 0.0000816300000000, -0.0002104400000000, -0.0001444100000000 ] - [ -0.0002294300000000, -0.0003611300000000, -0.0000441000000000 ] - [ -0.0003125300000000, -0.0001276200000000, 0.0001993800000000 ] - [ -0.0002406000000000, 0.0002599200000000, 0.0003087600000000 ] - [ -0.0002397600000000, 0.0002726800000000, -0.0001565900000000 ] - [ 0.0000691700000000, 0.0003069000000000, 0.0002083000000000 ] - [ 0.0000679900000000, 0.0002894400000000, -0.0002575700000000 ] - [ 0.0000343900000000, 0.0001727300000000, 0.0001664700000000 ] - [ 0.0001972700000000, 0.0000537300000000, 0.0000780700000000 ] - [ -0.0001667200000000, 0.0000661800000000, -0.0002660800000000 ] - [ -0.0003273100000000, -0.0000587200000000, -0.0001786900000000 ] - [ -0.0001258200000000, -0.0000436400000000, 0.0000850600000000 ] - [ -0.0002974900000000, 0.0000189500000000, -0.0004544400000000 ] - [ 0.0002350100000000, -0.0000778700000000, 0.0004267200000000 ] - [ 0.0000630500000000, -0.0001445200000000, -0.0001068400000000 ] - [ -0.0003581500000000, -0.0008097100000000, 0.0000967200000000 ] - [ 0.0002873100000000, 0.0000304100000000, -0.0003730200000000 ] - [ -0.0000073200000000, -0.0001092600000000, -0.0000141800000000 ] - [ -0.0006543300000000, 0.0007317200000000, 0.0004624700000000 ] - [ -0.0001063000000000, 0.0000086400000000, 0.0005485300000000 ] - [ -0.0001487300000000, 0.0000464400000000, -0.0000988600000000 ] - [ 0.0001931300000000, 0.0000668700000000, 0.0001952800000000 ] - [ 0.0001486800000000, 0.0000234000000000, -0.0004591300000000 ] - [ 0.0018870900000000, -0.0003540300000000, -0.0005021500000000 ] - [ 0.0003181600000000, 0.0001466700000000, -0.0012829600000000 ] - [ -0.0000446200000000, -0.0000194500000000, -0.0016249400000000 ] - [ 0.0015173600000000, 0.0004738400000000, -0.0008482300000000 ] - [ 0.0003987600000000, 0.0001182700000000, 0.0008851200000000 ] - [ -0.0000109700000000, -0.0000437600000000, -0.0005879700000000 ] - [ 0.0007633200000000, -0.0002339900000000, 0.0012282000000000 ] - [ 0.0003570300000000, -0.0000734000000000, -0.0002482200000000 ] - [ 0.0002409900000000, 0.0000076600000000, -0.0002405800000000 ] - [ -0.0003449900000000, -0.0006994800000000, -0.0009520900000000 ] - [ -0.0006500200000000, 0.0006263400000000, -0.0005951000000000 ] - [ -0.0000592300000000, -0.0000797400000000, 0.0001099400000000 ] - [ -0.0008485900000000, -0.0002477800000000, 0.0012735000000000 ] - [ -0.0002042000000000, 0.0000271200000000, -0.0002412500000000 ] - [ -0.0005519200000000, 0.0003214600000000, 0.0009050800000000 ] - [ 0.0000903100000000, 0.0000513300000000, -0.0006019700000000 ]- atom: 5 displacement: [ 0.0099999386121055, 0.0000000000000000, -0.0000350393225009 ] forces: - [ -0.0004939800000000, -0.0000625800000000, -0.0002528200000000 ] - [ -0.0002986600000000, -0.0002814100000000, -0.0002878900000000 ] - [ 0.0038943300000000, -0.0059653100000000, 0.0003521600000000 ] - [ -0.0001368500000000, -0.0000847500000000, -0.0001907800000000 ] - [ -0.0871459400000000, -0.0073700900000000, -0.0063710400000000 ] - [ -0.0005737900000000, -0.0002047300000000, -0.0001836900000000 ] - [ 0.0016131900000000, -0.0002761300000000, 0.0000878000000000 ] - [ 0.0004682900000000, -0.0000952400000000, 0.0000165300000000 ] - [ 0.0001611300000000, 0.0000847800000000, 0.0001908700000000 ] - [ 0.0004527100000000, 0.0000266000000000, -0.0000940300000000 ] - [ -0.0006990900000000, 0.0003520900000000, -0.0003229100000000 ] - [ -0.0006941300000000, 0.0002824600000000, -0.0000872200000000 ] - [ -0.0013966600000000, -0.0031233000000000, -0.0029859300000000 ] - [ 0.0000203400000000, 0.0002470100000000, -0.0003823600000000 ] - [ -0.0003802700000000, 0.0003134400000000, 0.0004523700000000 ] - [ 0.0008340400000000, 0.0006441900000000, -0.0003457200000000 ] - [ -0.0002360500000000, 0.0004004100000000, 0.0003789900000000 ] - [ -0.0001550900000000, -0.0000955500000000, -0.0000481100000000 ] - [ -0.0002006700000000, 0.0001568900000000, -0.0000128900000000 ] - [ 0.0001531900000000, -0.0000826600000000, -0.0001632000000000 ] - [ -0.0000266500000000, 0.0001721900000000, 0.0003692900000000 ] - [ 0.0002211200000000, 0.0002105900000000, 0.0002307800000000 ] - [ 0.0001603600000000, -0.0001418200000000, -0.0002933600000000 ] - [ 0.0000192200000000, 0.0001095800000000, -0.0001713800000000 ] - [ 0.0000728100000000, -0.0015190300000000, 0.0005180000000000 ] - [ 0.0002358500000000, -0.0002086600000000, -0.0003239300000000 ] - [ 0.0003674200000000, -0.0001516100000000, 0.0003456900000000 ] - [ 0.0000401900000000, -0.0001404600000000, 0.0003326300000000 ] - [ 0.0045746900000000, -0.0000763300000000, 0.0067462100000000 ] - [ 0.0004044300000000, -0.0003274000000000, -0.0004198200000000 ] - [ -0.0006779500000000, -0.0004127000000000, -0.0003497300000000 ] - [ 0.0060394600000000, -0.0003127400000000, -0.0070788700000000 ] - [ 0.0035521400000000, 0.0051411300000000, 0.0005443200000000 ] - [ -0.0000808900000000, 0.0006642900000000, -0.0001779600000000 ] - [ -0.0003162400000000, -0.0007032200000000, 0.0000928000000000 ] - [ -0.0000402700000000, -0.0005289700000000, -0.0001757800000000 ] - [ 0.0000478500000000, -0.0000368200000000, -0.0001258200000000 ] - [ 0.0000812000000000, 0.0001094500000000, 0.0000627900000000 ] - [ -0.0007253000000000, 0.0002565500000000, -0.0001218500000000 ] - [ -0.0003225600000000, 0.0001865200000000, -0.0002483000000000 ] - [ 0.0002803100000000, -0.0001155900000000, 0.0001117900000000 ] - [ 0.0002570300000000, -0.0002439200000000, 0.0003194700000000 ] - [ 0.0003162200000000, -0.0001144000000000, 0.0001727300000000 ] - [ 0.0000808400000000, 0.0000347500000000, 0.0000885200000000 ] - [ 0.0000120900000000, -0.0000187100000000, -0.0000155100000000 ] - [ -0.0002711500000000, -0.0000529700000000, 0.0000617000000000 ] - [ 0.0004750400000000, -0.0000094400000000, -0.0000463500000000 ] - [ 0.0003592000000000, -0.0000715100000000, 0.0000014200000000 ] - [ 0.0006383300000000, -0.0002266000000000, -0.0003830600000000 ] - [ 0.0003013900000000, -0.0001499900000000, 0.0010043400000000 ] - [ 0.0001795600000000, -0.0000181800000000, 0.0000920200000000 ] - [ 0.0001816700000000, -0.0000520400000000, 0.0001934000000000 ] - [ 0.0007075000000000, 0.0000454700000000, -0.0000902500000000 ] - [ 0.0003620500000000, 0.0001374000000000, 0.0000186900000000 ] - [ -0.0001408400000000, 0.0001730200000000, -0.0001084600000000 ] - [ -0.0005492900000000, 0.0011392800000000, 0.0003487200000000 ] - [ 0.0020689400000000, 0.0001188500000000, -0.0019851700000000 ] - [ -0.0004621300000000, -0.0000422500000000, 0.0002483500000000 ] - [ 0.0010658200000000, 0.0000202200000000, -0.0001119800000000 ] - [ 0.0006114800000000, -0.0001019400000000, 0.0000497600000000 ] - [ -0.0001936200000000, 0.0000864300000000, -0.0003738700000000 ] - [ -0.0023470900000000, 0.0018906800000000, 0.0027801900000000 ] - [ 0.0009163600000000, -0.0004352500000000, 0.0004265000000000 ] - [ 0.0003866000000000, -0.0000424900000000, -0.0002970900000000 ] - [ 0.0006566800000000, -0.0002959600000000, -0.0004369500000000 ] - [ 0.0001684800000000, -0.0003408200000000, -0.0000267500000000 ] - [ -0.0011246700000000, 0.0013146400000000, -0.0009175500000000 ] - [ -0.0004094200000000, -0.0001348700000000, 0.0000879200000000 ] - [ 0.0005036500000000, -0.0002006900000000, 0.0000597600000000 ] - [ 0.0003224200000000, -0.0001762800000000, 0.0002595900000000 ] - [ -0.0001302400000000, -0.0001604500000000, -0.0000586800000000 ] - [ 0.0000146900000000, -0.0000579700000000, -0.0000275700000000 ] - [ 0.0004958500000000, 0.0009206300000000, -0.0001579400000000 ] - [ 0.0000960400000000, 0.0006239000000000, 0.0001000700000000 ] - [ 0.0007592000000000, -0.0007357900000000, -0.0004311000000000 ] - [ 0.0003720600000000, -0.0007135700000000, 0.0007843000000000 ] - [ 0.0013978400000000, -0.0000029500000000, 0.0008941800000000 ] - [ 0.0004627600000000, 0.0001750300000000, 0.0001296900000000 ] - [ 0.0003995300000000, -0.0001067000000000, -0.0001474600000000 ] - [ -0.0000277800000000, 0.0000697400000000, 0.0001664400000000 ] - [ 0.0318950400000000, 0.0225523000000000, 0.0205405600000000 ] - [ 0.0000374200000000, 0.0000242800000000, 0.0004265900000000 ] - [ -0.0024576200000000, -0.0004677600000000, -0.0000972300000000 ] - [ 0.0004963900000000, 0.0002854900000000, -0.0000653700000000 ] - [ 0.0006691200000000, -0.0001999400000000, -0.0003214100000000 ] - [ 0.0001264800000000, -0.0001296400000000, 0.0000855900000000 ] - [ 0.0001356900000000, -0.0002240800000000, 0.0002150000000000 ] - [ 0.0001896500000000, -0.0001261500000000, 0.0003153500000000 ] - [ -0.0023023800000000, 0.0003769400000000, -0.0007219200000000 ] - [ -0.0000154700000000, 0.0001211000000000, 0.0001058800000000 ] - [ 0.0358218000000000, -0.0193329000000000, -0.0165376800000000 ] - [ 0.0000955100000000, -0.0000373000000000, 0.0003458000000000 ] - [ 0.0010044400000000, -0.0000723900000000, 0.0006975100000000 ] - [ 0.0002252600000000, 0.0003745300000000, 0.0001831100000000 ] - [ 0.0003902500000000, 0.0002431000000000, -0.0000031100000000 ] - [ 0.0000613100000000, 0.0004836600000000, 0.0002776800000000 ] - [ -0.0007324000000000, -0.0000058100000000, 0.0002986500000000 ] - [ -0.0003047000000000, 0.0001194700000000, -0.0000126600000000 ] - [ -0.0002139300000000, -0.0001851100000000, 0.0000077800000000 ] - [ 0.0000576400000000, 0.0000187900000000, -0.0000704100000000 ] - [ -0.0009938400000000, 0.0010282700000000, 0.0007590000000000 ] - [ 0.0000866100000000, -0.0002303400000000, -0.0006305500000000 ] - [ -0.0006667600000000, 0.0002766300000000, 0.0000180300000000 ] - [ -0.0011768600000000, -0.0005452400000000, -0.0002964800000000 ] - [ -0.0000588200000000, -0.0002268600000000, -0.0000010500000000 ] - [ 0.0001951200000000, -0.0003546700000000, -0.0000828400000000 ] - [ -0.0005583700000000, -0.0002811300000000, -0.0001056300000000 ] - [ -0.0003092800000000, -0.0003388800000000, -0.0000794300000000 ] - [ -0.0007435100000000, 0.0004932800000000, 0.0001211300000000 ] - [ -0.0004325800000000, 0.0003073500000000, -0.0001654700000000 ] - [ -0.0001907800000000, 0.0005470300000000, 0.0001065000000000 ] - [ -0.0001380100000000, 0.0010376700000000, -0.0008024900000000 ] - [ -0.0015029300000000, 0.0021459900000000, 0.0012316000000000 ] - [ 0.0004398100000000, 0.0001955500000000, -0.0000002900000000 ] - [ -0.0012160200000000, 0.0001935000000000, -0.0001974700000000 ] - [ -0.0003978900000000, 0.0000904800000000, -0.0003947400000000 ] - [ -0.0004949800000000, -0.0001029800000000, -0.0002714800000000 ] - [ -0.0004002800000000, -0.0000244400000000, -0.0002348000000000 ] - [ 0.0000904200000000, -0.0000350000000000, 0.0002646600000000 ] - [ 0.0003371000000000, -0.0000170900000000, -0.0000677700000000 ] - [ 0.0009030400000000, 0.0002162100000000, -0.0004991700000000 ] - [ 0.0002698900000000, -0.0001229700000000, -0.0000306700000000 ] - [ -0.0007952400000000, -0.0007084800000000, 0.0003963900000000 ] - [ -0.0001333700000000, -0.0001388900000000, 0.0001317600000000 ] - [ -0.0009195800000000, -0.0009563900000000, -0.0008571900000000 ] - [ -0.0005202300000000, -0.0001126400000000, 0.0005004700000000 ] - [ 0.0001532400000000, 0.0001002600000000, 0.0002994700000000 ] - [ 0.0017911000000000, -0.0007287400000000, 0.0005055100000000 ] - [ -0.0004080400000000, 0.0009557600000000, -0.0003023500000000 ] - [ 0.0001503000000000, 0.0001077500000000, 0.0001952100000000 ] - [ 0.0011727800000000, 0.0001052600000000, 0.0002505700000000 ] - [ -0.0000693800000000, 0.0000261000000000, -0.0000005700000000 ] - [ 0.0020570100000000, -0.0001027700000000, 0.0017403100000000 ] - [ 0.0009710000000000, 0.0008394100000000, 0.0006910400000000 ] - [ 0.0000683500000000, 0.0006626300000000, -0.0010079500000000 ] - [ -0.0012290700000000, 0.0006262900000000, 0.0005285400000000 ] - [ -0.0009131900000000, 0.0000342600000000, -0.0002391300000000 ] - [ -0.0001459900000000, -0.0001299700000000, -0.0004443500000000 ] - [ 0.0036829200000000, 0.0026624500000000, 0.0009805900000000 ] - [ -0.0001214200000000, -0.0000399300000000, 0.0003055800000000 ] - [ -0.0004063900000000, -0.0005701200000000, 0.0006344300000000 ] - [ -0.0001317800000000, -0.0001696100000000, -0.0002781400000000 ] - [ -0.0001657100000000, 0.0001702200000000, -0.0004290200000000 ] - [ -0.0003142500000000, 0.0000108600000000, -0.0002010600000000 ]- atom: 5 displacement: [ -0.0099999386121055, 0.0000000000000000, 0.0000350393225009 ] forces: - [ 0.0004906400000000, -0.0000276400000000, 0.0002502400000000 ] - [ 0.0002999700000000, 0.0001854200000000, 0.0002873500000000 ] - [ -0.0039014700000000, 0.0061026600000000, -0.0003519000000000 ] - [ 0.0001363500000000, 0.0001754600000000, 0.0001908700000000 ] - [ 0.0875750300000000, 0.0069393500000000, 0.0060857200000000 ] - [ -0.0001607100000000, 0.0000289200000000, 0.0001525900000000 ] - [ -0.0008744400000000, 0.0001012000000000, -0.0000574900000000 ] - [ 0.0002725400000000, -0.0000855100000000, 0.0000186100000000 ] - [ 0.0005777000000000, 0.0000907000000000, -0.0001594700000000 ] - [ 0.0002833600000000, 0.0001521400000000, 0.0001276600000000 ] - [ -0.0000402100000000, -0.0001709100000000, 0.0002872200000000 ] - [ -0.0000404900000000, -0.0001064400000000, 0.0000534000000000 ] - [ 0.0017995300000000, 0.0033697900000000, 0.0030042500000000 ] - [ 0.0004337200000000, -0.0000419300000000, 0.0003396800000000 ] - [ -0.0000683700000000, -0.0001051200000000, -0.0004146700000000 ] - [ -0.0012828100000000, -0.0004355800000000, 0.0003856200000000 ] - [ -0.0002157600000000, -0.0006072900000000, -0.0003407200000000 ] - [ -0.0002953900000000, -0.0001131500000000, 0.0000861200000000 ] - [ 0.0006525400000000, -0.0003645300000000, -0.0000261900000000 ] - [ 0.0002979900000000, -0.0001224400000000, 0.0001246900000000 ] - [ -0.0003367500000000, -0.0000117400000000, -0.0000234000000000 ] - [ -0.0005820100000000, -0.0000481100000000, 0.0001177200000000 ] - [ 0.0001934800000000, 0.0003058700000000, -0.0000590500000000 ] - [ 0.0003392400000000, 0.0000533100000000, -0.0001770300000000 ] - [ 0.0002824000000000, 0.0013476100000000, -0.0008615800000000 ] - [ 0.0001196800000000, 0.0000431300000000, -0.0000268800000000 ] - [ -0.0007318300000000, -0.0000068900000000, -0.0000035100000000 ] - [ -0.0004030800000000, -0.0000204900000000, 0.0000134500000000 ] - [ -0.0041133100000000, -0.0003004000000000, -0.0065667300000000 ] - [ 0.0000807600000000, -0.0000536300000000, 0.0006599900000000 ] - [ 0.0001885200000000, 0.0000254200000000, 0.0001077400000000 ] - [ -0.0065749600000000, -0.0000804700000000, 0.0069253900000000 ] - [ -0.0035738800000000, -0.0039825400000000, -0.0005422600000000 ] - [ 0.0000762900000000, 0.0005460600000000, 0.0001824100000000 ] - [ 0.0003198000000000, -0.0005061300000000, -0.0000946900000000 ] - [ 0.0000432400000000, -0.0006815700000000, 0.0001736500000000 ] - [ 0.0004415500000000, 0.0004210300000000, 0.0003651300000000 ] - [ 0.0004052000000000, 0.0002737400000000, 0.0001828800000000 ] - [ 0.0002375600000000, 0.0001272700000000, -0.0001181700000000 ] - [ -0.0001644300000000, 0.0001975900000000, 0.0000068800000000 ] - [ -0.0002751300000000, 0.0000234900000000, -0.0001054100000000 ] - [ -0.0002548600000000, 0.0001524500000000, -0.0003140500000000 ] - [ -0.0003170400000000, 0.0002026900000000, -0.0001748300000000 ] - [ -0.0000798800000000, 0.0000561600000000, -0.0000881900000000 ] - [ -0.0007474500000000, -0.0001580700000000, -0.0000166700000000 ] - [ -0.0004687800000000, -0.0001263700000000, -0.0000953600000000 ] - [ 0.0002619200000000, -0.0001662100000000, 0.0000773100000000 ] - [ 0.0003751300000000, -0.0001050100000000, 0.0000296400000000 ] - [ 0.0000946100000000, 0.0004025800000000, 0.0004133700000000 ] - [ 0.0004328300000000, 0.0003268400000000, -0.0009618500000000 ] - [ -0.0009170200000000, 0.0001908900000000, -0.0001211200000000 ] - [ -0.0009154800000000, 0.0002236700000000, -0.0002185200000000 ] - [ -0.0002519300000000, 0.0001597200000000, 0.0000478200000000 ] - [ 0.0000891200000000, 0.0000703200000000, -0.0000563300000000 ] - [ -0.0003126400000000, 0.0000338100000000, 0.0001472200000000 ] - [ 0.0000908100000000, -0.0009185400000000, -0.0003044600000000 ] - [ -0.0024924900000000, -0.0003230700000000, 0.0019948500000000 ] - [ 0.0000087100000000, -0.0001637400000000, -0.0002130500000000 ] - [ -0.0006054300000000, -0.0002241200000000, 0.0000698700000000 ] - [ -0.0001551800000000, -0.0001030700000000, -0.0000912700000000 ] - [ -0.0001702900000000, 0.0000746500000000, 0.0007262100000000 ] - [ 0.0019461700000000, -0.0017807300000000, -0.0024927100000000 ] - [ -0.0005497900000000, 0.0005950700000000, -0.0007693300000000 ] - [ -0.0000212900000000, 0.0002019300000000, -0.0000476100000000 ] - [ -0.0002945500000000, 0.0001310300000000, 0.0000856000000000 ] - [ 0.0001969400000000, 0.0001835600000000, -0.0003155300000000 ] - [ 0.0007527700000000, -0.0014736100000000, 0.0012594400000000 ] - [ 0.0000469400000000, -0.0000270700000000, 0.0002561800000000 ] - [ -0.0000189800000000, -0.0001790600000000, 0.0001805700000000 ] - [ 0.0001659000000000, -0.0002105800000000, -0.0000152800000000 ] - [ -0.0003544800000000, -0.0002215100000000, -0.0001821300000000 ] - [ -0.0005012600000000, -0.0003252300000000, -0.0002134800000000 ] - [ -0.0004914100000000, 0.0002930100000000, 0.0001554500000000 ] - [ -0.0000918300000000, 0.0005864600000000, -0.0001043400000000 ] - [ -0.0007530200000000, -0.0004755400000000, 0.0004251800000000 ] - [ -0.0003741300000000, -0.0004985800000000, -0.0007709200000000 ] - [ -0.0008977500000000, 0.0003819400000000, -0.0006424400000000 ] - [ 0.0000250800000000, 0.0002094400000000, 0.0001081400000000 ] - [ -0.0008808500000000, 0.0004842400000000, -0.0000987900000000 ] - [ -0.0004591100000000, 0.0003111200000000, -0.0004101700000000 ] - [ -0.0326133000000000, -0.0231175100000000, -0.0210933800000000 ] - [ -0.0003600900000000, 0.0001832700000000, -0.0002863100000000 ] - [ 0.0027742500000000, 0.0006705300000000, -0.0000480500000000 ] - [ -0.0001780200000000, -0.0000774900000000, -0.0000770100000000 ] - [ -0.0003493900000000, -0.0000089000000000, 0.0001827100000000 ] - [ 0.0001964500000000, -0.0000770900000000, -0.0002267400000000 ] - [ -0.0004570000000000, 0.0000141700000000, -0.0000722200000000 ] - [ -0.0005117800000000, -0.0000789700000000, -0.0001752100000000 ] - [ 0.0026093600000000, -0.0009478400000000, 0.0006239700000000 ] - [ 0.0003326700000000, -0.0006853400000000, -0.0001977500000000 ] - [ -0.0368587100000000, 0.0196641500000000, 0.0174429900000000 ] - [ -0.0004124000000000, -0.0005231000000000, -0.0002518600000000 ] - [ -0.0013183000000000, 0.0006351800000000, -0.0006008800000000 ] - [ -0.0005454900000000, 0.0001924800000000, -0.0000879900000000 ] - [ -0.0000740700000000, 0.0003205500000000, -0.0000897000000000 ] - [ 0.0002561000000000, 0.0000804500000000, -0.0003691500000000 ] - [ 0.0004084300000000, 0.0002102700000000, -0.0001552700000000 ] - [ -0.0000155500000000, 0.0000883200000000, 0.0001548200000000 ] - [ 0.0005375800000000, 0.0003888800000000, -0.0001489200000000 ] - [ 0.0002633500000000, 0.0001880900000000, -0.0000689200000000 ] - [ 0.0013068100000000, -0.0012209600000000, -0.0008877100000000 ] - [ 0.0002412900000000, 0.0000239200000000, 0.0004824600000000 ] - [ 0.0003444800000000, -0.0004778800000000, 0.0001228800000000 ] - [ 0.0008444600000000, 0.0003347300000000, 0.0004339200000000 ] - [ 0.0003780400000000, -0.0003401900000000, -0.0000861200000000 ] - [ 0.0001230100000000, -0.0002096500000000, -0.0000099700000000 ] - [ 0.0002367400000000, -0.0002841900000000, 0.0001957500000000 ] - [ -0.0000099700000000, -0.0002256400000000, 0.0001715800000000 ] - [ 0.0004237000000000, 0.0000726900000000, -0.0000248100000000 ] - [ 0.0001153000000000, 0.0002581400000000, 0.0002585800000000 ] - [ 0.0005085200000000, 0.0000188700000000, -0.0001956800000000 ] - [ 0.0004587100000000, -0.0004610900000000, 0.0007027900000000 ] - [ 0.0018621700000000, -0.0019983900000000, -0.0008701000000000 ] - [ -0.0000694800000000, -0.0000745300000000, 0.0003436700000000 ] - [ 0.0008381300000000, -0.0000668800000000, -0.0001508600000000 ] - [ 0.0000288900000000, 0.0000378600000000, 0.0000476200000000 ] - [ 0.0001247000000000, -0.0000225300000000, -0.0000724800000000 ] - [ 0.0000284300000000, -0.0000993300000000, -0.0001122200000000 ] - [ 0.0002771200000000, -0.0000868200000000, 0.0000826400000000 ] - [ 0.0000286500000000, -0.0001048300000000, 0.0004152700000000 ] - [ -0.0006125500000000, -0.0003060000000000, 0.0001510000000000 ] - [ 0.0000201200000000, 0.0000410500000000, -0.0003252500000000 ] - [ 0.0005082400000000, 0.0006272500000000, -0.0000423700000000 ] - [ -0.0001504400000000, 0.0000578000000000, 0.0002233800000000 ] - [ 0.0006277400000000, 0.0010371500000000, 0.0012125000000000 ] - [ 0.0002302700000000, 0.0001953600000000, -0.0001432500000000 ] - [ 0.0001407500000000, -0.0000195100000000, -0.0006659800000000 ] - [ -0.0015022500000000, 0.0008028700000000, -0.0008538600000000 ] - [ 0.0007720300000000, -0.0008271900000000, 0.0006473500000000 ] - [ 0.0002155100000000, 0.0000161400000000, 0.0001532000000000 ] - [ -0.0015378500000000, 0.0000289300000000, -0.0006036500000000 ] - [ -0.0003022800000000, 0.0000979300000000, -0.0003435800000000 ] - [ -0.0024013500000000, -0.0000187400000000, -0.0020565100000000 ] - [ -0.0013458000000000, -0.0009741200000000, -0.0010299000000000 ] - [ 0.0002985300000000, -0.0007883200000000, 0.0013497200000000 ] - [ 0.0015930400000000, -0.0007496800000000, -0.0001813400000000 ] - [ 0.0011928600000000, -0.0001171400000000, -0.0001171200000000 ] - [ 0.0004304800000000, 0.0000484700000000, 0.0000852700000000 ] - [ -0.0038398800000000, -0.0026138700000000, -0.0005569700000000 ] - [ -0.0001667900000000, -0.0000436600000000, 0.0000505100000000 ] - [ 0.0001203300000000, 0.0006457800000000, -0.0002739500000000 ] - [ -0.0001411600000000, 0.0002575600000000, 0.0006426400000000 ] - [ 0.0004517300000000, -0.0000897100000000, 0.0000716100000000 ] - [ 0.0006028800000000, 0.0000691100000000, -0.0001543000000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002956000000000, 0.0000495000000000, -0.0003789900000000 ] - [ -0.0002298600000000, 0.0000999500000000, 0.0000583300000000 ] - [ -0.0062472500000000, 0.0038409800000000, -0.0016749400000000 ] - [ -0.0000519400000000, -0.0001087900000000, 0.0000432500000000 ] - [ -0.0070107700000000, -0.0730482500000000, -0.0511691700000000 ] - [ -0.0004847300000000, -0.0002570100000000, 0.0000901700000000 ] - [ 0.0005548300000000, -0.0011032400000000, -0.0000495600000000 ] - [ 0.0003718400000000, -0.0002163700000000, 0.0001487000000000 ] - [ 0.0003634300000000, 0.0003936400000000, 0.0000237100000000 ] - [ 0.0003047600000000, 0.0002555100000000, 0.0001036400000000 ] - [ -0.0005598200000000, 0.0006646400000000, -0.0004777100000000 ] - [ -0.0006263800000000, 0.0006623300000000, -0.0000273100000000 ] - [ -0.0010552000000000, 0.0060759300000000, 0.0081213000000000 ] - [ 0.0002999900000000, -0.0000921900000000, -0.0001468000000000 ] - [ -0.0002230100000000, 0.0000400100000000, 0.0003443100000000 ] - [ 0.0002694800000000, -0.0002692100000000, -0.0005804700000000 ] - [ -0.0001432900000000, 0.0007004800000000, 0.0002602600000000 ] - [ -0.0002655700000000, 0.0000208000000000, 0.0000700500000000 ] - [ 0.0002824200000000, 0.0006624400000000, -0.0003749200000000 ] - [ 0.0002112200000000, 0.0003151400000000, -0.0000044200000000 ] - [ -0.0000879100000000, 0.0002019200000000, 0.0003376100000000 ] - [ -0.0000957600000000, 0.0001800700000000, 0.0000981700000000 ] - [ -0.0003853500000000, 0.0007764800000000, -0.0004520400000000 ] - [ 0.0001050900000000, 0.0002196900000000, -0.0003594600000000 ] - [ -0.0012190300000000, 0.0016992200000000, -0.0014691400000000 ] - [ -0.0001349700000000, -0.0000384100000000, -0.0000002300000000 ] - [ 0.0000942100000000, -0.0001461200000000, 0.0002545200000000 ] - [ -0.0001685900000000, -0.0000998500000000, 0.0001898700000000 ] - [ 0.0016765600000000, -0.0021292000000000, 0.0012682000000000 ] - [ 0.0001446600000000, -0.0003306500000000, 0.0001740300000000 ] - [ -0.0004400000000000, -0.0006077400000000, -0.0000820700000000 ] - [ -0.0001369000000000, -0.0021718000000000, -0.0009749200000000 ] - [ 0.0065310200000000, 0.0042103000000000, -0.0000454300000000 ] - [ 0.0000244300000000, 0.0005018700000000, 0.0001750300000000 ] - [ 0.0001015900000000, 0.0000069100000000, 0.0000549800000000 ] - [ -0.0000142000000000, -0.0003174300000000, -0.0000661600000000 ] - [ 0.0001921700000000, 0.0006553400000000, 0.0002032000000000 ] - [ 0.0002040600000000, 0.0004063500000000, 0.0001607800000000 ] - [ -0.0005007600000000, 0.0009321800000000, -0.0005002200000000 ] - [ -0.0003428100000000, 0.0003602500000000, -0.0000649200000000 ] - [ -0.0000121500000000, -0.0000748800000000, 0.0000632300000000 ] - [ -0.0001714900000000, -0.0002312600000000, -0.0002180400000000 ] - [ -0.0002389500000000, 0.0003606100000000, -0.0002045100000000 ] - [ 0.0000077500000000, 0.0001365100000000, 0.0000517700000000 ] - [ -0.0002939500000000, 0.0001660800000000, 0.0000075400000000 ] - [ -0.0003288600000000, 0.0000125500000000, 0.0000568800000000 ] - [ 0.0002877600000000, 0.0005205400000000, -0.0002716400000000 ] - [ 0.0003494900000000, 0.0000465900000000, 0.0000429900000000 ] - [ 0.0000504600000000, -0.0002085500000000, 0.0000332200000000 ] - [ 0.0001241800000000, -0.0006557100000000, -0.0002610000000000 ] - [ -0.0002273200000000, -0.0000774000000000, 0.0000992900000000 ] - [ -0.0002622700000000, -0.0000786200000000, -0.0000221100000000 ] - [ 0.0001069300000000, 0.0001664400000000, -0.0001344600000000 ] - [ 0.0002427800000000, 0.0001900000000000, 0.0000598300000000 ] - [ -0.0001489600000000, 0.0002059400000000, -0.0000155300000000 ] - [ -0.0000182300000000, 0.0010929800000000, 0.0000340200000000 ] - [ 0.0000431200000000, -0.0009437700000000, -0.0004225400000000 ] - [ -0.0000930800000000, -0.0004541100000000, 0.0003103100000000 ] - [ 0.0003576700000000, -0.0003084600000000, -0.0000487300000000 ] - [ 0.0002484000000000, -0.0002167700000000, 0.0000096800000000 ] - [ -0.0000720600000000, 0.0001102900000000, -0.0001732500000000 ] - [ -0.0005755400000000, 0.0047121100000000, 0.0066835400000000 ] - [ 0.0000075300000000, -0.0003668300000000, -0.0007076100000000 ] - [ 0.0001865400000000, -0.0000001600000000, -0.0000868000000000 ] - [ -0.0002734400000000, -0.0000186800000000, 0.0000417700000000 ] - [ 0.0001310100000000, -0.0001495800000000, -0.0001808100000000 ] - [ -0.0002225500000000, 0.0019298800000000, -0.0017057900000000 ] - [ -0.0003241300000000, 0.0000268400000000, 0.0005087500000000 ] - [ 0.0001068600000000, 0.0001696300000000, -0.0000268300000000 ] - [ 0.0002398200000000, 0.0000463400000000, 0.0001117900000000 ] - [ -0.0002068700000000, -0.0000659200000000, -0.0000527100000000 ] - [ -0.0001141000000000, 0.0001232800000000, -0.0001691300000000 ] - [ 0.0002993200000000, 0.0009448000000000, -0.0002242100000000 ] - [ 0.0000866900000000, 0.0006995200000000, 0.0001741800000000 ] - [ 0.0000433600000000, -0.0007842400000000, -0.0000292100000000 ] - [ 0.0003254000000000, -0.0010161900000000, 0.0004644500000000 ] - [ 0.0001665500000000, -0.0005194000000000, -0.0001520700000000 ] - [ 0.0001817900000000, 0.0000841600000000, 0.0002328200000000 ] - [ -0.0002909500000000, -0.0000678200000000, -0.0001277500000000 ] - [ -0.0001814000000000, -0.0000423200000000, -0.0000735400000000 ] - [ 0.0222939400000000, 0.0256312600000000, 0.0200851100000000 ] - [ -0.0001183500000000, 0.0003251900000000, -0.0000049000000000 ] - [ -0.0016527500000000, 0.0026994700000000, 0.0018615000000000 ] - [ 0.0002449200000000, 0.0002960500000000, -0.0002285000000000 ] - [ 0.0003847200000000, -0.0007278100000000, 0.0001970500000000 ] - [ 0.0001533200000000, -0.0003200100000000, -0.0000683400000000 ] - [ 0.0002292000000000, -0.0006148500000000, 0.0000711000000000 ] - [ -0.0003206500000000, -0.0007346600000000, 0.0003774500000000 ] - [ 0.0010897100000000, 0.0027982500000000, 0.0022823900000000 ] - [ 0.0002077200000000, -0.0001440300000000, -0.0001384800000000 ] - [ -0.0199898400000000, 0.0222772900000000, 0.0153153700000000 ] - [ 0.0001121600000000, 0.0000357400000000, 0.0000712500000000 ] - [ 0.0008059800000000, -0.0004517400000000, 0.0010655900000000 ] - [ 0.0000451200000000, -0.0000033100000000, -0.0002259400000000 ] - [ 0.0003737100000000, -0.0000025700000000, 0.0001213000000000 ] - [ 0.0003689800000000, -0.0000587600000000, -0.0001386100000000 ] - [ -0.0002662300000000, -0.0002835600000000, 0.0002770800000000 ] - [ -0.0002140500000000, -0.0000318100000000, 0.0000216600000000 ] - [ -0.0001893800000000, -0.0005673900000000, 0.0003608700000000 ] - [ 0.0001399900000000, -0.0000628200000000, -0.0001268700000000 ] - [ 0.0000016000000000, 0.0003984200000000, 0.0001615100000000 ] - [ 0.0001717700000000, 0.0004943800000000, -0.0001783600000000 ] - [ -0.0001943000000000, 0.0001085600000000, 0.0000180500000000 ] - [ -0.0003762500000000, 0.0003324600000000, 0.0002297200000000 ] - [ 0.0003056400000000, -0.0008336100000000, 0.0004165800000000 ] - [ 0.0002370400000000, -0.0004840200000000, -0.0000457000000000 ] - [ -0.0000977400000000, -0.0006105200000000, 0.0002511500000000 ] - [ -0.0002152600000000, -0.0004224300000000, -0.0000399800000000 ] - [ -0.0002058500000000, 0.0004357700000000, -0.0000191800000000 ] - [ -0.0001433700000000, 0.0005105500000000, 0.0001339400000000 ] - [ 0.0002631200000000, 0.0003202900000000, -0.0001346700000000 ] - [ 0.0007957400000000, 0.0012159500000000, 0.0008108800000000 ] - [ 0.0022864100000000, -0.0002542700000000, 0.0002031100000000 ] - [ 0.0002707200000000, 0.0002389300000000, 0.0000631400000000 ] - [ -0.0003400400000000, 0.0002127900000000, -0.0000865100000000 ] - [ -0.0002812100000000, 0.0001142000000000, -0.0002979900000000 ] - [ -0.0002884700000000, -0.0002600700000000, -0.0002360500000000 ] - [ -0.0002012900000000, -0.0002117000000000, -0.0001776000000000 ] - [ 0.0002908300000000, -0.0003375900000000, 0.0000292800000000 ] - [ 0.0003448900000000, -0.0007453300000000, 0.0004789000000000 ] - [ 0.0002312100000000, -0.0019390800000000, 0.0003085600000000 ] - [ 0.0001328200000000, -0.0002136900000000, -0.0003003600000000 ] - [ -0.0008051100000000, -0.0008665200000000, 0.0006207600000000 ] - [ -0.0001917100000000, -0.0001962600000000, 0.0000182500000000 ] - [ -0.0011205600000000, -0.0001699400000000, -0.0009815100000000 ] - [ -0.0002110100000000, 0.0000036900000000, 0.0002994500000000 ] - [ 0.0009187700000000, -0.0002189100000000, -0.0016436700000000 ] - [ -0.0001383400000000, -0.0010382300000000, 0.0023737800000000 ] - [ 0.0008718200000000, -0.0009177000000000, 0.0008518000000000 ] - [ 0.0002263600000000, 0.0000404100000000, 0.0000827300000000 ] - [ -0.0001504900000000, -0.0017002500000000, 0.0000699500000000 ] - [ -0.0001100500000000, -0.0000706600000000, -0.0002017900000000 ] - [ -0.0000604100000000, 0.0032657000000000, -0.0014592200000000 ] - [ 0.0005422300000000, 0.0007920000000000, -0.0009599300000000 ] - [ 0.0000670500000000, 0.0004093100000000, -0.0000901100000000 ] - [ 0.0003067200000000, 0.0003764000000000, 0.0001140400000000 ] - [ 0.0001618300000000, 0.0001894100000000, -0.0001195700000000 ] - [ 0.0000415200000000, -0.0000055500000000, -0.0003564600000000 ] - [ 0.0038528600000000, 0.0041386200000000, 0.0024095600000000 ] - [ -0.0002075700000000, 0.0000959100000000, 0.0000001200000000 ] - [ -0.0006468200000000, -0.0001093500000000, 0.0005428100000000 ] - [ -0.0008037200000000, -0.0006113400000000, -0.0008385900000000 ] - [ 0.0001389000000000, 0.0000212900000000, -0.0001581800000000 ] - [ 0.0000823100000000, -0.0000181000000000, -0.0002977000000000 ]- atom: 5 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003056000000000, -0.0001468600000000, 0.0003895900000000 ] - [ 0.0002255200000000, -0.0001973200000000, -0.0000642400000000 ] - [ 0.0061998500000000, -0.0037203300000000, 0.0016665500000000 ] - [ 0.0000566500000000, 0.0002019200000000, -0.0000371200000000 ] - [ 0.0076579600000000, 0.0730376200000000, 0.0514081800000000 ] - [ -0.0002496900000000, 0.0000848000000000, -0.0001166300000000 ] - [ 0.0001742300000000, 0.0009267200000000, 0.0000798200000000 ] - [ 0.0003564000000000, 0.0000402200000000, -0.0001179000000000 ] - [ 0.0003658700000000, -0.0002169100000000, 0.0000082900000000 ] - [ 0.0004286300000000, -0.0000839500000000, -0.0000770900000000 ] - [ -0.0001770200000000, -0.0004963200000000, 0.0004530300000000 ] - [ -0.0001030800000000, -0.0004843800000000, -0.0000040600000000 ] - [ 0.0015224600000000, -0.0059322900000000, -0.0082558500000000 ] - [ 0.0001519900000000, 0.0003052000000000, 0.0001097200000000 ] - [ -0.0002318700000000, 0.0001708600000000, -0.0003027000000000 ] - [ -0.0007254200000000, 0.0004814000000000, 0.0006234400000000 ] - [ -0.0003103400000000, -0.0009107900000000, -0.0002238100000000 ] - [ -0.0001892400000000, -0.0002307800000000, -0.0000309200000000 ] - [ 0.0001709000000000, -0.0008733300000000, 0.0003378300000000 ] - [ 0.0002451900000000, -0.0005233900000000, -0.0000373600000000 ] - [ -0.0002692700000000, -0.0000335100000000, 0.0000180300000000 ] - [ -0.0002684600000000, -0.0000169900000000, 0.0002505200000000 ] - [ 0.0007518000000000, -0.0006159800000000, 0.0001063000000000 ] - [ 0.0002626300000000, -0.0000612700000000, 0.0000168800000000 ] - [ 0.0015931700000000, -0.0018915200000000, 0.0011233500000000 ] - [ 0.0005052400000000, -0.0001191100000000, -0.0003420300000000 ] - [ -0.0004522900000000, -0.0000204800000000, 0.0001006800000000 ] - [ -0.0002018700000000, -0.0000568300000000, 0.0001512000000000 ] - [ -0.0011568400000000, 0.0017415700000000, -0.0010049800000000 ] - [ 0.0003432100000000, -0.0000552400000000, 0.0000619000000000 ] - [ -0.0000424300000000, 0.0002291000000000, -0.0001570700000000 ] - [ -0.0003126900000000, 0.0018037100000000, 0.0007084100000000 ] - [ -0.0065967900000000, -0.0030365300000000, 0.0000466000000000 ] - [ -0.0000234800000000, 0.0007111500000000, -0.0001752800000000 ] - [ -0.0001034000000000, -0.0012163100000000, -0.0000545000000000 ] - [ 0.0000138300000000, -0.0008943300000000, 0.0000673400000000 ] - [ 0.0002903400000000, -0.0002767700000000, 0.0000405700000000 ] - [ 0.0002832200000000, -0.0000222000000000, 0.0000761300000000 ] - [ 0.0000197400000000, -0.0005563200000000, 0.0002554300000000 ] - [ -0.0001449300000000, 0.0000247800000000, -0.0001721700000000 ] - [ 0.0000012200000000, -0.0000210800000000, -0.0000747100000000 ] - [ 0.0001807300000000, 0.0001386900000000, 0.0002304100000000 ] - [ 0.0002353300000000, -0.0002691700000000, 0.0002007600000000 ] - [ -0.0000158000000000, -0.0000388600000000, -0.0000604100000000 ] - [ -0.0004376000000000, -0.0003419400000000, -0.0000379900000000 ] - [ -0.0003982700000000, -0.0001912800000000, -0.0000896100000000 ] - [ 0.0004456400000000, -0.0006892000000000, 0.0002946600000000 ] - [ 0.0003848100000000, -0.0002171400000000, -0.0000177500000000 ] - [ 0.0006859100000000, 0.0003789000000000, -0.0000083300000000 ] - [ 0.0005989500000000, 0.0008365000000000, 0.0002854000000000 ] - [ -0.0004967200000000, 0.0002578500000000, -0.0001333300000000 ] - [ -0.0004725200000000, 0.0002446000000000, 0.0000002900000000 ] - [ 0.0003475300000000, 0.0000427800000000, 0.0000952600000000 ] - [ 0.0002132500000000, 0.0000188200000000, -0.0000988000000000 ] - [ -0.0003059400000000, 0.0000020800000000, 0.0000551600000000 ] - [ -0.0004415600000000, -0.0008827300000000, 0.0000083100000000 ] - [ -0.0005104500000000, 0.0007308000000000, 0.0004662500000000 ] - [ -0.0003605500000000, 0.0002413000000000, -0.0002723300000000 ] - [ 0.0001007100000000, 0.0000990100000000, 0.0000081400000000 ] - [ 0.0002073300000000, 0.0000078500000000, -0.0000485300000000 ] - [ -0.0002993400000000, 0.0000468900000000, 0.0005252200000000 ] - [ 0.0002032700000000, -0.0045099700000000, -0.0062683300000000 ] - [ 0.0003530500000000, 0.0005302700000000, 0.0003516400000000 ] - [ 0.0001734400000000, 0.0001662300000000, -0.0002664300000000 ] - [ 0.0006398400000000, -0.0001421900000000, -0.0003869000000000 ] - [ 0.0002290500000000, -0.0000184500000000, -0.0001719800000000 ] - [ -0.0001473100000000, -0.0020625800000000, 0.0020255400000000 ] - [ -0.0000362800000000, -0.0001946100000000, -0.0001526100000000 ] - [ 0.0003756900000000, -0.0005492300000000, 0.0002666700000000 ] - [ 0.0002416100000000, -0.0004240600000000, 0.0001305200000000 ] - [ -0.0002830700000000, -0.0003224500000000, -0.0001832300000000 ] - [ -0.0003700300000000, -0.0005056100000000, -0.0000694500000000 ] - [ -0.0002962000000000, 0.0002665500000000, 0.0002220400000000 ] - [ -0.0000875700000000, 0.0005101100000000, -0.0001716100000000 ] - [ -0.0000482200000000, -0.0004246400000000, 0.0000327700000000 ] - [ -0.0003281900000000, -0.0001940300000000, -0.0004576000000000 ] - [ 0.0003180800000000, 0.0009020700000000, 0.0003836900000000 ] - [ 0.0002979900000000, 0.0002920300000000, 0.0000098400000000 ] - [ -0.0002007700000000, 0.0004597200000000, -0.0001090000000000 ] - [ -0.0003002100000000, 0.0004185400000000, -0.0001709900000000 ] - [ -0.0234225700000000, -0.0259255400000000, -0.0207835000000000 ] - [ -0.0001988300000000, -0.0001265900000000, 0.0001463300000000 ] - [ 0.0019703600000000, -0.0025187800000000, -0.0020088700000000 ] - [ 0.0000770700000000, -0.0001008900000000, 0.0000902600000000 ] - [ -0.0000674800000000, 0.0005273100000000, -0.0003339400000000 ] - [ 0.0001675300000000, 0.0001235500000000, -0.0000709900000000 ] - [ -0.0005445600000000, 0.0004181800000000, 0.0000627800000000 ] - [ 0.0000023000000000, 0.0005327500000000, -0.0002387600000000 ] - [ -0.0007847400000000, -0.0033451400000000, -0.0023677600000000 ] - [ 0.0001086900000000, -0.0004174000000000, 0.0000431000000000 ] - [ 0.0190009100000000, -0.0225363000000000, -0.0146415900000000 ] - [ -0.0004305000000000, -0.0006012700000000, 0.0000199600000000 ] - [ -0.0011105300000000, 0.0010125500000000, -0.0009667000000000 ] - [ -0.0003600900000000, 0.0005653900000000, 0.0003184700000000 ] - [ -0.0000591200000000, 0.0005651800000000, -0.0002174900000000 ] - [ -0.0000501300000000, 0.0006250300000000, 0.0000433200000000 ] - [ -0.0000498000000000, 0.0004821700000000, -0.0001403000000000 ] - [ -0.0001012500000000, 0.0002348600000000, 0.0001140400000000 ] - [ 0.0005064000000000, 0.0007605200000000, -0.0004940400000000 ] - [ 0.0001781400000000, 0.0002611700000000, -0.0000085700000000 ] - [ 0.0003243400000000, -0.0006032300000000, -0.0003004700000000 ] - [ 0.0001478300000000, -0.0006874800000000, 0.0000445600000000 ] - [ -0.0001227600000000, -0.0003117400000000, 0.0001215200000000 ] - [ 0.0000612300000000, -0.0005304300000000, -0.0000955100000000 ] - [ 0.0000105500000000, 0.0002746400000000, -0.0005083100000000 ] - [ 0.0000784000000000, -0.0000767200000000, -0.0000478600000000 ] - [ -0.0002172000000000, 0.0000490500000000, -0.0001567300000000 ] - [ -0.0000991100000000, -0.0001393100000000, 0.0001334200000000 ] - [ -0.0001064100000000, 0.0001231100000000, 0.0001150200000000 ] - [ -0.0001722200000000, 0.0000478400000000, -0.0000436600000000 ] - [ 0.0000555600000000, 0.0002383700000000, 0.0000419300000000 ] - [ -0.0004768200000000, -0.0006668000000000, -0.0009056100000000 ] - [ -0.0019160300000000, 0.0003797900000000, 0.0001451200000000 ] - [ 0.0001067900000000, -0.0001122200000000, 0.0002873600000000 ] - [ -0.0000370700000000, -0.0000866300000000, -0.0002603800000000 ] - [ -0.0000963600000000, 0.0000114800000000, -0.0000505000000000 ] - [ -0.0000879300000000, 0.0001298000000000, -0.0001110000000000 ] - [ -0.0001771300000000, 0.0000817600000000, -0.0001703400000000 ] - [ 0.0000874800000000, 0.0002105000000000, 0.0003207500000000 ] - [ 0.0000322000000000, 0.0006164500000000, -0.0001320800000000 ] - [ 0.0000692100000000, 0.0018493100000000, -0.0006717900000000 ] - [ 0.0001646000000000, 0.0001196000000000, -0.0000632100000000 ] - [ 0.0005059400000000, 0.0007767200000000, -0.0002628400000000 ] - [ -0.0001100800000000, 0.0001014700000000, 0.0003438000000000 ] - [ 0.0008205800000000, 0.0002586200000000, 0.0013450000000000 ] - [ -0.0000903600000000, 0.0000887600000000, 0.0000626300000000 ] - [ -0.0006188000000000, 0.0003095300000000, 0.0012837600000000 ] - [ 0.0004375500000000, 0.0011305700000000, -0.0027466400000000 ] - [ -0.0004947000000000, 0.0010477500000000, -0.0005033600000000 ] - [ 0.0001502300000000, 0.0000870100000000, 0.0002628200000000 ] - [ -0.0002257700000000, 0.0018259000000000, -0.0004170000000000 ] - [ -0.0002671600000000, 0.0002009500000000, -0.0001477500000000 ] - [ -0.0003086800000000, -0.0033949700000000, 0.0010836600000000 ] - [ -0.0009159800000000, -0.0009144000000000, 0.0006137700000000 ] - [ 0.0003082900000000, -0.0005342400000000, 0.0004326400000000 ] - [ 0.0000646000000000, -0.0005039900000000, 0.0002371700000000 ] - [ 0.0001344100000000, -0.0002779900000000, -0.0002437700000000 ] - [ 0.0002563900000000, -0.0000833900000000, -0.0000077300000000 ] - [ -0.0039978200000000, -0.0041429500000000, -0.0019728000000000 ] - [ -0.0000925100000000, -0.0001884700000000, 0.0003575100000000 ] - [ 0.0003441400000000, 0.0002059900000000, -0.0001787600000000 ] - [ 0.0005023600000000, 0.0007039200000000, 0.0011950800000000 ] - [ 0.0001611200000000, 0.0000771900000000, -0.0002000400000000 ] - [ 0.0002131100000000, 0.0001107300000000, -0.0000638100000000 ]- atom: 5 displacement: [ -0.0026967483687124, 0.0000000000000000, 0.0096295144340640 ] forces: - [ 0.0003610700000000, -0.0006148700000000, 0.0002370300000000 ] - [ -0.0001567800000000, 0.0003496600000000, 0.0000751600000000 ] - [ -0.0016013100000000, 0.0012747000000000, -0.0017631100000000 ] - [ 0.0001514000000000, 0.0000399000000000, 0.0004542100000000 ] - [ 0.0176214900000000, -0.0478579400000000, -0.0631301600000000 ] - [ -0.0004749400000000, 0.0000444400000000, 0.0005853600000000 ] - [ 0.0000998500000000, 0.0000238100000000, -0.0010352000000000 ] - [ 0.0003378400000000, -0.0002133300000000, 0.0004836000000000 ] - [ 0.0005930700000000, 0.0000944200000000, -0.0000449200000000 ] - [ 0.0002379700000000, 0.0001913500000000, 0.0000993100000000 ] - [ -0.0003407100000000, 0.0000350300000000, 0.0000438500000000 ] - [ -0.0005746400000000, 0.0004772200000000, -0.0000167500000000 ] - [ -0.0000685600000000, 0.0075311600000000, 0.0064383300000000 ] - [ 0.0001170800000000, -0.0000900200000000, 0.0006136100000000 ] - [ -0.0000925100000000, 0.0002413100000000, 0.0003899800000000 ] - [ -0.0010034600000000, -0.0007019300000000, -0.0002769800000000 ] - [ -0.0001104200000000, -0.0000737400000000, -0.0002582800000000 ] - [ -0.0003042000000000, -0.0000779200000000, 0.0001901400000000 ] - [ 0.0004213900000000, -0.0001444900000000, -0.0003665600000000 ] - [ 0.0001578400000000, 0.0000505100000000, 0.0002349700000000 ] - [ -0.0001124800000000, 0.0001322200000000, 0.0002930600000000 ] - [ -0.0003724700000000, -0.0000334700000000, 0.0000116800000000 ] - [ -0.0003565000000000, 0.0007285000000000, -0.0005416300000000 ] - [ 0.0002991100000000, -0.0000521400000000, 0.0000283400000000 ] - [ 0.0004244600000000, -0.0000730400000000, -0.0012988600000000 ] - [ -0.0000912000000000, 0.0000120900000000, 0.0002448600000000 ] - [ -0.0002740000000000, 0.0000122400000000, -0.0001061700000000 ] - [ -0.0001531000000000, -0.0001438000000000, 0.0003564300000000 ] - [ 0.0050583500000000, -0.0003791700000000, 0.0025552800000000 ] - [ -0.0000962400000000, -0.0001127100000000, 0.0008448300000000 ] - [ 0.0000499000000000, 0.0000374900000000, 0.0007255200000000 ] - [ -0.0096819200000000, -0.0007380400000000, 0.0053021800000000 ] - [ -0.0001634700000000, -0.0007837600000000, -0.0018214100000000 ] - [ -0.0001303300000000, 0.0006246300000000, 0.0005914600000000 ] - [ 0.0002543200000000, -0.0002118000000000, -0.0000155300000000 ] - [ -0.0001147000000000, -0.0005878200000000, 0.0000794800000000 ] - [ 0.0001865500000000, 0.0003334400000000, 0.0000311600000000 ] - [ 0.0002895300000000, 0.0002035700000000, 0.0003528200000000 ] - [ -0.0001309200000000, 0.0003171600000000, -0.0004301200000000 ] - [ -0.0003204000000000, 0.0002783700000000, 0.0001156000000000 ] - [ -0.0001270500000000, 0.0000636900000000, -0.0000105100000000 ] - [ 0.0000945800000000, -0.0002402500000000, -0.0000686700000000 ] - [ -0.0002586400000000, 0.0002092300000000, -0.0003505100000000 ] - [ 0.0000916100000000, 0.0000514300000000, 0.0001799400000000 ] - [ -0.0004757400000000, -0.0000805800000000, -0.0001481700000000 ] - [ -0.0003235500000000, -0.0000244800000000, 0.0001132200000000 ] - [ 0.0002707700000000, 0.0001608700000000, -0.0003255500000000 ] - [ 0.0003509800000000, -0.0001265200000000, 0.0002243800000000 ] - [ -0.0000882900000000, 0.0001915200000000, 0.0002672900000000 ] - [ 0.0013397500000000, -0.0001047200000000, 0.0011906000000000 ] - [ -0.0003159100000000, 0.0001190900000000, -0.0000053800000000 ] - [ -0.0004138900000000, 0.0000135200000000, -0.0000329300000000 ] - [ 0.0001617200000000, 0.0000934700000000, -0.0001921000000000 ] - [ 0.0002392300000000, 0.0001492800000000, 0.0001162000000000 ] - [ -0.0003926800000000, 0.0000169700000000, 0.0002734900000000 ] - [ 0.0000531000000000, 0.0005691300000000, -0.0003811400000000 ] - [ -0.0019220400000000, -0.0006668500000000, 0.0002523300000000 ] - [ -0.0000767900000000, -0.0001678900000000, 0.0005214700000000 ] - [ 0.0000377400000000, -0.0001568800000000, -0.0002452400000000 ] - [ 0.0002262400000000, -0.0001229500000000, 0.0001745400000000 ] - [ -0.0010200300000000, -0.0005167700000000, 0.0017117000000000 ] - [ 0.0004648800000000, 0.0056129300000000, 0.0049338300000000 ] - [ 0.0003232400000000, -0.0002876400000000, -0.0007045200000000 ] - [ 0.0000947200000000, 0.0001383400000000, 0.0001765500000000 ] - [ -0.0000351000000000, 0.0000691700000000, -0.0003250900000000 ] - [ 0.0003156000000000, -0.0001981800000000, 0.0000814400000000 ] - [ -0.0001523300000000, -0.0009730900000000, -0.0005029400000000 ] - [ -0.0002922400000000, 0.0001256200000000, 0.0007694100000000 ] - [ 0.0000265800000000, -0.0000264800000000, -0.0000731800000000 ] - [ 0.0003303200000000, -0.0001065400000000, 0.0002299400000000 ] - [ -0.0002672300000000, -0.0001672600000000, -0.0000035700000000 ] - [ -0.0001936700000000, -0.0000832100000000, -0.0002930600000000 ] - [ 0.0000968200000000, 0.0006590500000000, -0.0002982800000000 ] - [ 0.0000310500000000, 0.0006434100000000, 0.0002668000000000 ] - [ -0.0003656100000000, -0.0005878000000000, 0.0002546700000000 ] - [ 0.0002861800000000, -0.0007124600000000, 0.0000770300000000 ] - [ 0.0000951000000000, -0.0001322400000000, -0.0003822900000000 ] - [ 0.0001569700000000, 0.0002152300000000, 0.0003692400000000 ] - [ -0.0006131100000000, 0.0003098600000000, -0.0002567300000000 ] - [ 0.0000909700000000, 0.0000658400000000, 0.0002320500000000 ] - [ 0.0121840200000000, 0.0155628000000000, 0.0179893800000000 ] - [ -0.0001200700000000, 0.0002319200000000, -0.0006414800000000 ] - [ 0.0020045200000000, 0.0022208800000000, 0.0025779400000000 ] - [ -0.0001617700000000, -0.0001551500000000, -0.0007387900000000 ] - [ -0.0000930500000000, -0.0002430400000000, 0.0002592400000000 ] - [ 0.0002742700000000, -0.0001381500000000, -0.0002121900000000 ] - [ -0.0000947200000000, -0.0001730000000000, -0.0001239200000000 ] - [ -0.0001008200000000, -0.0003404500000000, 0.0002641700000000 ] - [ -0.0006060500000000, 0.0017358500000000, 0.0023702100000000 ] - [ 0.0004076400000000, -0.0006264800000000, -0.0005620800000000 ] - [ -0.0263595600000000, 0.0192508300000000, 0.0206327300000000 ] - [ -0.0001043300000000, -0.0003348700000000, -0.0008787900000000 ] - [ -0.0003224700000000, 0.0005432200000000, 0.0001631500000000 ] - [ -0.0000659100000000, 0.0000169000000000, -0.0003670300000000 ] - [ -0.0001242800000000, 0.0004579600000000, -0.0003596900000000 ] - [ 0.0004157200000000, 0.0000101700000000, 0.0000913900000000 ] - [ -0.0000691500000000, -0.0000280200000000, 0.0003299900000000 ] - [ -0.0002344800000000, 0.0000754500000000, -0.0000902300000000 ] - [ -0.0000310500000000, -0.0002096900000000, 0.0004862000000000 ] - [ 0.0002595700000000, 0.0001098400000000, -0.0003378800000000 ] - [ 0.0007403900000000, -0.0005443900000000, -0.0004025300000000 ] - [ -0.0003262100000000, -0.0004691000000000, -0.0004787100000000 ] - [ -0.0000316700000000, -0.0002081900000000, -0.0000844800000000 ] - [ -0.0001914600000000, 0.0002584000000000, 0.0002682800000000 ] - [ 0.0003782400000000, -0.0006104200000000, 0.0005269400000000 ] - [ 0.0001061000000000, -0.0002646100000000, -0.0002887500000000 ] - [ 0.0000034200000000, -0.0004012000000000, 0.0004221900000000 ] - [ -0.0002004600000000, -0.0002907000000000, -0.0001305800000000 ] - [ 0.0000337700000000, 0.0000844700000000, 0.0001364500000000 ] - [ -0.0002994600000000, 0.0004695600000000, 0.0000274900000000 ] - [ 0.0004308200000000, 0.0000461900000000, -0.0003256400000000 ] - [ -0.0002125800000000, 0.0009194500000000, 0.0006965000000000 ] - [ 0.0022712700000000, -0.0011312600000000, 0.0003812500000000 ] - [ 0.0002265300000000, 0.0002339100000000, -0.0003769000000000 ] - [ 0.0001760600000000, 0.0000553900000000, 0.0001680700000000 ] - [ -0.0002735000000000, 0.0000572700000000, -0.0004658600000000 ] - [ -0.0001461500000000, -0.0001093700000000, -0.0001108100000000 ] - [ -0.0001816300000000, -0.0000436400000000, -0.0002431400000000 ] - [ 0.0003508200000000, -0.0001716100000000, -0.0000250700000000 ] - [ 0.0000964100000000, -0.0002001600000000, 0.0003383200000000 ] - [ -0.0001475000000000, -0.0012121600000000, 0.0009532200000000 ] - [ 0.0002166400000000, -0.0000201500000000, -0.0005697000000000 ] - [ -0.0000845600000000, 0.0001637100000000, 0.0004673300000000 ] - [ -0.0002538700000000, -0.0000961500000000, -0.0001173600000000 ] - [ -0.0007583200000000, -0.0006476900000000, 0.0005584000000000 ] - [ 0.0000123800000000, 0.0002026200000000, -0.0001872700000000 ] - [ 0.0008260000000000, -0.0003505300000000, -0.0015838100000000 ] - [ 0.0000020600000000, 0.0024599800000000, -0.0010400500000000 ] - [ 0.0004154900000000, -0.0003230000000000, 0.0007098100000000 ] - [ 0.0002059500000000, 0.0000570000000000, -0.0001359700000000 ] - [ -0.0002880600000000, -0.0009584500000000, 0.0009286700000000 ] - [ -0.0001392500000000, 0.0002048400000000, -0.0006538800000000 ] - [ 0.0003199100000000, -0.0000993700000000, 0.0044718400000000 ] - [ -0.0001605700000000, -0.0002012400000000, -0.0022440200000000 ] - [ -0.0002420500000000, 0.0004295500000000, -0.0005505300000000 ] - [ 0.0015766500000000, -0.0006673300000000, 0.0002242600000000 ] - [ 0.0004562200000000, -0.0000209800000000, 0.0002054700000000 ] - [ 0.0000433100000000, -0.0000851500000000, -0.0004943900000000 ] - [ 0.0005764700000000, 0.0015029700000000, 0.0014800700000000 ] - [ 0.0000469400000000, -0.0000661500000000, -0.0004619000000000 ] - [ 0.0000885200000000, 0.0004887300000000, 0.0001780500000000 ] - [ -0.0008246800000000, -0.0005863000000000, -0.0007070200000000 ] - [ 0.0001122500000000, 0.0000965000000000, -0.0002337900000000 ] - [ 0.0002111200000000, -0.0000562300000000, -0.0001716100000000 ]- atom: 5 displacement: [ 0.0026967483687124, 0.0000000000000000, -0.0096295144340640 ] forces: - [ -0.0003735500000000, 0.0005273500000000, -0.0002492600000000 ] - [ 0.0001649700000000, -0.0004362500000000, -0.0000717700000000 ] - [ 0.0016312700000000, -0.0012106300000000, 0.0017764900000000 ] - [ -0.0001556400000000, 0.0000490500000000, -0.0004572100000000 ] - [ -0.0170671000000000, 0.0469458100000000, 0.0629591900000000 ] - [ -0.0002626300000000, -0.0002214900000000, -0.0006163800000000 ] - [ 0.0006376300000000, -0.0001990100000000, 0.0010629200000000 ] - [ 0.0003936700000000, 0.0000437700000000, -0.0004606900000000 ] - [ 0.0001419000000000, 0.0000786200000000, 0.0000736600000000 ] - [ 0.0004968400000000, -0.0000141800000000, -0.0000706400000000 ] - [ -0.0003911000000000, 0.0001431200000000, -0.0000740900000000 ] - [ -0.0001651300000000, -0.0003039300000000, -0.0000128400000000 ] - [ 0.0005295400000000, -0.0074086100000000, -0.0065483200000000 ] - [ 0.0003361800000000, 0.0003000800000000, -0.0006538100000000 ] - [ -0.0003696800000000, -0.0000351600000000, -0.0003432100000000 ] - [ 0.0005452500000000, 0.0009069800000000, 0.0003175100000000 ] - [ -0.0003409200000000, -0.0001379900000000, 0.0002982900000000 ] - [ -0.0001488300000000, -0.0001344200000000, -0.0001514600000000 ] - [ 0.0000298300000000, -0.0000674600000000, 0.0003270300000000 ] - [ 0.0003010700000000, -0.0002584100000000, -0.0002781600000000 ] - [ -0.0002568600000000, 0.0000237300000000, 0.0000498800000000 ] - [ 0.0000032700000000, 0.0001899700000000, 0.0003323200000000 ] - [ 0.0007118200000000, -0.0005610500000000, 0.0001798600000000 ] - [ 0.0000554400000000, 0.0002228600000000, -0.0003949200000000 ] - [ -0.0000728100000000, -0.0000750600000000, 0.0009390000000000 ] - [ 0.0004557000000000, -0.0001728600000000, -0.0005973400000000 ] - [ -0.0000867400000000, -0.0001747700000000, 0.0004597700000000 ] - [ -0.0002120000000000, -0.0000172100000000, -0.0000052400000000 ] - [ -0.0045980100000000, 0.0000009300000000, -0.0023147100000000 ] - [ 0.0005816500000000, -0.0002681400000000, -0.0006065500000000 ] - [ -0.0005346800000000, -0.0004188500000000, -0.0009721000000000 ] - [ 0.0090830100000000, 0.0003428600000000, -0.0054896800000000 ] - [ 0.0001865000000000, 0.0020041200000000, 0.0018188500000000 ] - [ 0.0001323100000000, 0.0005821500000000, -0.0005951400000000 ] - [ -0.0002563100000000, -0.0009959400000000, 0.0000188100000000 ] - [ 0.0001189300000000, -0.0006210500000000, -0.0000834500000000 ] - [ 0.0003024600000000, 0.0000509500000000, 0.0002131100000000 ] - [ 0.0001913200000000, 0.0001734300000000, -0.0001086000000000 ] - [ -0.0003623200000000, 0.0000716100000000, 0.0001950000000000 ] - [ -0.0001620700000000, 0.0001011200000000, -0.0003572100000000 ] - [ 0.0001287600000000, -0.0001556200000000, 0.0000089300000000 ] - [ -0.0000920700000000, 0.0001450200000000, 0.0000690700000000 ] - [ 0.0002727200000000, -0.0001196800000000, 0.0003647700000000 ] - [ -0.0000769500000000, 0.0000395700000000, -0.0001664400000000 ] - [ -0.0002665600000000, -0.0000909500000000, 0.0001218400000000 ] - [ -0.0004197300000000, -0.0001467000000000, -0.0001402600000000 ] - [ 0.0004573300000000, -0.0003428800000000, 0.0003612100000000 ] - [ 0.0003780600000000, -0.0000580000000000, -0.0001879000000000 ] - [ 0.0008281000000000, -0.0000135900000000, -0.0002370500000000 ] - [ -0.0005955000000000, 0.0002857400000000, -0.0011394500000000 ] - [ -0.0004146200000000, 0.0000517700000000, -0.0000205600000000 ] - [ -0.0003196400000000, 0.0001585300000000, 0.0000067900000000 ] - [ 0.0002916000000000, 0.0001173300000000, 0.0001536900000000 ] - [ 0.0002144700000000, 0.0000607400000000, -0.0001560700000000 ] - [ -0.0000604800000000, 0.0001961800000000, -0.0002343700000000 ] - [ -0.0005090500000000, -0.0003567600000000, 0.0004203300000000 ] - [ 0.0014779800000000, 0.0004603400000000, -0.0002142600000000 ] - [ -0.0003703200000000, -0.0000481900000000, -0.0004891900000000 ] - [ 0.0004227700000000, -0.0000489900000000, 0.0001973400000000 ] - [ 0.0002342100000000, -0.0000823600000000, -0.0002206800000000 ] - [ 0.0006651100000000, 0.0006836500000000, -0.0013732300000000 ] - [ -0.0008273200000000, -0.0054077000000000, -0.0045412700000000 ] - [ 0.0000441500000000, 0.0004514000000000, 0.0003550100000000 ] - [ 0.0002712400000000, 0.0000201700000000, -0.0005232000000000 ] - [ 0.0003999000000000, -0.0002333500000000, -0.0000329200000000 ] - [ 0.0000521200000000, 0.0000399400000000, -0.0004278700000000 ] - [ -0.0002049000000000, 0.0007974500000000, 0.0008758500000000 ] - [ -0.0000772500000000, -0.0002799500000000, -0.0004274000000000 ] - [ 0.0004664400000000, -0.0003633300000000, 0.0003146000000000 ] - [ 0.0001637800000000, -0.0002837200000000, 0.0000108700000000 ] - [ -0.0002155000000000, -0.0002105800000000, -0.0002380300000000 ] - [ -0.0002897200000000, -0.0002951200000000, 0.0000498300000000 ] - [ -0.0000945900000000, 0.0005527200000000, 0.0002971300000000 ] - [ -0.0000278000000000, 0.0005684000000000, -0.0002681700000000 ] - [ 0.0003607600000000, -0.0006196600000000, -0.0002494900000000 ] - [ -0.0002935700000000, -0.0004955800000000, -0.0000712500000000 ] - [ 0.0003876600000000, 0.0005117500000000, 0.0006195000000000 ] - [ 0.0003247800000000, 0.0001627600000000, -0.0001282300000000 ] - [ 0.0001241900000000, 0.0000766300000000, 0.0000161200000000 ] - [ -0.0005808500000000, 0.0003212400000000, -0.0004750400000000 ] - [ -0.0127875500000000, -0.0156237400000000, -0.0178450500000000 ] - [ -0.0001987500000000, -0.0000286500000000, 0.0007817800000000 ] - [ -0.0016922600000000, -0.0020074200000000, -0.0027030600000000 ] - [ 0.0004820900000000, 0.0003567400000000, 0.0006075600000000 ] - [ 0.0004149200000000, 0.0000448500000000, -0.0004011100000000 ] - [ 0.0000434300000000, -0.0000628100000000, 0.0000710400000000 ] - [ -0.0002220800000000, -0.0000260100000000, 0.0002580500000000 ] - [ -0.0002172600000000, 0.0001430100000000, -0.0001274500000000 ] - [ 0.0009066100000000, -0.0023074300000000, -0.0024772400000000 ] - [ -0.0000969200000000, 0.0000654200000000, 0.0004659300000000 ] - [ 0.0251407900000000, -0.0188664300000000, -0.0201025900000000 ] - [ -0.0002079500000000, -0.0002160300000000, 0.0009792500000000 ] - [ 0.0000068400000000, 0.0000208000000000, -0.0000763700000000 ] - [ -0.0002442000000000, 0.0005433800000000, 0.0004671600000000 ] - [ 0.0004393700000000, 0.0001001500000000, 0.0002617800000000 ] - [ -0.0001040500000000, 0.0005459300000000, -0.0001850000000000 ] - [ -0.0002480600000000, 0.0002269600000000, -0.0001959600000000 ] - [ -0.0000828600000000, 0.0001210700000000, 0.0002232900000000 ] - [ 0.0003478900000000, 0.0004064900000000, -0.0006214600000000 ] - [ 0.0000578200000000, 0.0000880300000000, 0.0001989200000000 ] - [ -0.0004222500000000, 0.0003449800000000, 0.0002643000000000 ] - [ 0.0006479300000000, 0.0002661300000000, 0.0003375700000000 ] - [ -0.0002879200000000, 0.0000107100000000, 0.0002187500000000 ] - [ -0.0001291900000000, -0.0004567100000000, -0.0001305000000000 ] - [ -0.0000671600000000, 0.0000480700000000, -0.0006253800000000 ] - [ 0.0002047200000000, -0.0002992100000000, 0.0001928700000000 ] - [ -0.0003147100000000, -0.0001546300000000, -0.0003264400000000 ] - [ -0.0001106300000000, -0.0002696200000000, 0.0002299000000000 ] - [ -0.0003460600000000, 0.0004752800000000, -0.0000418300000000 ] - [ -0.0000123400000000, 0.0000895800000000, 0.0000675500000000 ] - [ -0.0001177200000000, 0.0005162500000000, 0.0002291200000000 ] - [ 0.0005302000000000, -0.0003571700000000, -0.0007912800000000 ] - [ -0.0019186400000000, 0.0012459600000000, -0.0000392000000000 ] - [ 0.0001354600000000, -0.0001319500000000, 0.0007205600000000 ] - [ -0.0005414400000000, 0.0000548200000000, -0.0005065100000000 ] - [ -0.0000867900000000, 0.0000607600000000, 0.0001245500000000 ] - [ -0.0002219400000000, -0.0000124300000000, -0.0002271500000000 ] - [ -0.0001877400000000, -0.0000684400000000, -0.0000965500000000 ] - [ 0.0000083500000000, 0.0000704000000000, 0.0003731500000000 ] - [ 0.0002609200000000, 0.0000868600000000, 0.0000103500000000 ] - [ 0.0004744400000000, 0.0011349700000000, -0.0013151400000000 ] - [ 0.0001076600000000, -0.0000608500000000, 0.0002174300000000 ] - [ -0.0002295600000000, -0.0002416900000000, -0.0001092700000000 ] - [ -0.0000547600000000, 0.0000195100000000, 0.0004766100000000 ] - [ 0.0004392700000000, 0.0007279700000000, -0.0002073800000000 ] - [ -0.0003334600000000, -0.0001226600000000, 0.0005437300000000 ] - [ -0.0005066900000000, 0.0004315100000000, 0.0012308500000000 ] - [ 0.0003124300000000, -0.0023815100000000, 0.0006930200000000 ] - [ -0.0000594300000000, 0.0004290900000000, -0.0003662100000000 ] - [ 0.0001484800000000, 0.0000562300000000, 0.0004821200000000 ] - [ -0.0000740000000000, 0.0010834600000000, -0.0012671600000000 ] - [ -0.0002318400000000, -0.0001028700000000, 0.0003202900000000 ] - [ -0.0006659700000000, 0.0000996900000000, -0.0051524800000000 ] - [ -0.0002017800000000, 0.0000831200000000, 0.0018997700000000 ] - [ 0.0006045500000000, -0.0005461400000000, 0.0008912900000000 ] - [ -0.0012091200000000, 0.0005611500000000, 0.0001151400000000 ] - [ -0.0001402900000000, -0.0000564200000000, -0.0005615200000000 ] - [ 0.0002685000000000, 0.0000102800000000, 0.0001378000000000 ] - [ -0.0009107400000000, -0.0016017800000000, -0.0011353800000000 ] - [ -0.0003773600000000, -0.0000138100000000, 0.0008170400000000 ] - [ -0.0004032000000000, -0.0004093900000000, 0.0001784900000000 ] - [ 0.0005187100000000, 0.0006653000000000, 0.0010649900000000 ] - [ 0.0002054800000000, -0.0000190400000000, -0.0001273600000000 ] - [ 0.0001139500000000, 0.0001351900000000, -0.0001794400000000 ]- atom: 13 displacement: [ 0.0099999386121055, 0.0000000000000000, -0.0000350393225009 ] forces: - [ -0.0003265100000000, -0.0001772400000000, -0.0001385100000000 ] - [ -0.0000423300000000, -0.0001695800000000, -0.0001422900000000 ] - [ -0.0003293100000000, -0.0006144400000000, -0.0006875000000000 ] - [ -0.0001197500000000, 0.0000160900000000, -0.0000715100000000 ] - [ -0.0019476700000000, -0.0014175600000000, -0.0008051500000000 ] - [ -0.0005688900000000, -0.0000149800000000, -0.0001883600000000 ] - [ 0.0014267300000000, -0.0005921700000000, -0.0004883600000000 ] - [ 0.0002071700000000, -0.0000991400000000, 0.0001210300000000 ] - [ 0.0003581800000000, 0.0001820600000000, 0.0001407000000000 ] - [ 0.0004334400000000, 0.0000566100000000, -0.0000396400000000 ] - [ -0.0007892900000000, 0.0000377900000000, 0.0000679700000000 ] - [ -0.0004329900000000, 0.0001147100000000, -0.0001190000000000 ] - [ -0.0717980700000000, 0.0349020200000000, 0.0406840600000000 ] - [ 0.0001658300000000, 0.0001559100000000, -0.0003048900000000 ] - [ -0.0000934900000000, 0.0000926800000000, 0.0009131500000000 ] - [ 0.0014163900000000, -0.0000009900000000, -0.0012742900000000 ] - [ 0.0000643400000000, 0.0004078000000000, 0.0001104600000000 ] - [ -0.0001925000000000, -0.0001119900000000, -0.0000047600000000 ] - [ -0.0001297600000000, 0.0001007900000000, -0.0000555000000000 ] - [ -0.0001295600000000, -0.0008749200000000, -0.0001480800000000 ] - [ 0.0001465200000000, 0.0002157200000000, 0.0004002900000000 ] - [ 0.0002838800000000, 0.0002116800000000, 0.0004542500000000 ] - [ 0.0031261200000000, -0.0041648800000000, 0.0003669500000000 ] - [ 0.0001027900000000, 0.0000910500000000, -0.0002921900000000 ] - [ -0.0003682200000000, -0.0003189500000000, 0.0013168800000000 ] - [ 0.0008686900000000, -0.0003119000000000, -0.0006989800000000 ] - [ 0.0007418400000000, -0.0001723100000000, 0.0003534900000000 ] - [ 0.0000030200000000, -0.0000916000000000, 0.0003195700000000 ] - [ 0.0066722100000000, -0.0078832200000000, -0.0016186600000000 ] - [ 0.0001638900000000, -0.0001103600000000, -0.0001061400000000 ] - [ -0.0010759800000000, -0.0002486900000000, -0.0000476500000000 ] - [ -0.0006197000000000, -0.0008959800000000, -0.0007247000000000 ] - [ 0.0056111000000000, -0.0013715600000000, -0.0057336200000000 ] - [ -0.0005257900000000, 0.0008068300000000, -0.0004450200000000 ] - [ -0.0006726900000000, 0.0004485400000000, 0.0006834500000000 ] - [ 0.0000026600000000, -0.0005326400000000, -0.0001662800000000 ] - [ 0.0002046600000000, 0.0001507400000000, 0.0000017000000000 ] - [ 0.0000440900000000, 0.0003190600000000, 0.0003942300000000 ] - [ -0.0004540300000000, 0.0002002100000000, -0.0001590000000000 ] - [ -0.0002850000000000, 0.0001757100000000, -0.0002481900000000 ] - [ 0.0006467400000000, -0.0002520500000000, 0.0001741600000000 ] - [ 0.0002221600000000, -0.0000543700000000, 0.0003034800000000 ] - [ 0.0009274500000000, -0.0008318100000000, 0.0009449400000000 ] - [ 0.0001712400000000, 0.0000020900000000, 0.0000388300000000 ] - [ 0.0001199800000000, -0.0002183000000000, 0.0000480200000000 ] - [ -0.0002254700000000, -0.0000739200000000, 0.0000379900000000 ] - [ 0.0000391400000000, -0.0003048200000000, 0.0002262200000000 ] - [ 0.0004509500000000, -0.0001776800000000, -0.0001248700000000 ] - [ 0.0026581500000000, 0.0003729800000000, -0.0011105700000000 ] - [ 0.0001272300000000, 0.0002282200000000, 0.0001059800000000 ] - [ 0.0004743300000000, -0.0000380300000000, 0.0000180400000000 ] - [ 0.0000171700000000, 0.0000656600000000, 0.0000906900000000 ] - [ 0.0008525100000000, -0.0002120900000000, -0.0001808900000000 ] - [ 0.0003104700000000, 0.0000875400000000, 0.0000080900000000 ] - [ -0.0001861900000000, 0.0000759500000000, -0.0000977000000000 ] - [ -0.0003760100000000, -0.0000661600000000, 0.0001840500000000 ] - [ -0.0001114800000000, 0.0010351000000000, 0.0001792100000000 ] - [ -0.0002847600000000, -0.0000130400000000, -0.0000580400000000 ] - [ 0.0006316700000000, -0.0000005400000000, -0.0000581800000000 ] - [ 0.0006323600000000, 0.0000135900000000, 0.0000245400000000 ] - [ -0.0003883500000000, 0.0001651100000000, -0.0000015800000000 ] - [ -0.0005520400000000, -0.0002665100000000, -0.0002716900000000 ] - [ 0.0017988300000000, -0.0014773100000000, 0.0003521500000000 ] - [ 0.0002558200000000, 0.0000482300000000, -0.0002340400000000 ] - [ 0.0003552000000000, -0.0002083200000000, -0.0002888600000000 ] - [ 0.0002101700000000, -0.0002167600000000, 0.0000127400000000 ] - [ -0.0004770500000000, 0.0000148100000000, 0.0003688400000000 ] - [ -0.0002634400000000, -0.0000953300000000, -0.0000025700000000 ] - [ 0.0010945700000000, -0.0011283500000000, 0.0005178700000000 ] - [ 0.0002998200000000, -0.0002624000000000, 0.0001389700000000 ] - [ -0.0000348000000000, -0.0002310600000000, -0.0001251900000000 ] - [ -0.0001837400000000, -0.0003748700000000, 0.0000828100000000 ] - [ 0.0000745500000000, 0.0005538100000000, 0.0001390300000000 ] - [ 0.0000986800000000, 0.0005695300000000, -0.0000074100000000 ] - [ 0.0006606800000000, -0.0001926700000000, -0.0001697100000000 ] - [ -0.0000030900000000, -0.0004050900000000, 0.0001619600000000 ] - [ 0.0007157800000000, 0.0008194000000000, 0.0011638400000000 ] - [ 0.0010292600000000, 0.0003668900000000, -0.0002347900000000 ] - [ 0.0013899100000000, 0.0006990700000000, -0.0002458900000000 ] - [ -0.0001468100000000, 0.0002098700000000, -0.0001430700000000 ] - [ 0.0407231200000000, -0.0233284600000000, -0.0335816000000000 ] - [ -0.0001060800000000, -0.0000016900000000, 0.0004125200000000 ] - [ -0.0015091600000000, 0.0031054400000000, 0.0014495700000000 ] - [ 0.0008398000000000, 0.0002914000000000, -0.0004649900000000 ] - [ 0.0001749300000000, -0.0003140400000000, -0.0000173200000000 ] - [ 0.0000992000000000, -0.0001561700000000, 0.0000387200000000 ] - [ 0.0010346900000000, -0.0000987800000000, -0.0003705400000000 ] - [ -0.0000875300000000, -0.0001141800000000, 0.0001628100000000 ] - [ -0.0015233900000000, 0.0019937900000000, 0.0028239600000000 ] - [ 0.0002069600000000, -0.0002099200000000, -0.0000172000000000 ] - [ 0.0000504600000000, -0.0001327600000000, 0.0003382600000000 ] - [ 0.0002189900000000, -0.0002114700000000, 0.0001827100000000 ] - [ 0.0002403700000000, 0.0003174200000000, 0.0000534500000000 ] - [ -0.0000842400000000, 0.0003291400000000, 0.0002261900000000 ] - [ 0.0002531100000000, 0.0002472500000000, -0.0001236000000000 ] - [ 0.0000691700000000, 0.0003492100000000, 0.0000534700000000 ] - [ -0.0006937900000000, 0.0004555100000000, -0.0002214900000000 ] - [ -0.0002758800000000, 0.0001111100000000, 0.0000313700000000 ] - [ 0.0001157500000000, 0.0002862600000000, -0.0002451900000000 ] - [ 0.0000065100000000, 0.0001570900000000, -0.0000287000000000 ] - [ -0.0007116100000000, -0.0013284400000000, -0.0004733200000000 ] - [ 0.0001679100000000, -0.0001323700000000, -0.0001313000000000 ] - [ -0.0008847400000000, -0.0000889400000000, -0.0000807200000000 ] - [ -0.0008029100000000, -0.0005470700000000, -0.0002794600000000 ] - [ -0.0002628400000000, 0.0007913400000000, -0.0016539100000000 ] - [ 0.0001044700000000, -0.0003031800000000, 0.0000520500000000 ] - [ -0.0008795700000000, 0.0001445100000000, -0.0007467900000000 ] - [ -0.0004439400000000, -0.0003498700000000, -0.0000757200000000 ] - [ -0.0012774500000000, 0.0006634300000000, 0.0000212300000000 ] - [ -0.0003735000000000, 0.0001833400000000, -0.0001145800000000 ] - [ -0.0008152700000000, 0.0011874300000000, 0.0006576900000000 ] - [ 0.0001095800000000, 0.0000385100000000, -0.0005986500000000 ] - [ 0.0115731900000000, 0.0002391700000000, 0.0041795900000000 ] - [ 0.0001539300000000, 0.0000009700000000, 0.0005133300000000 ] - [ -0.0013510300000000, 0.0000255800000000, -0.0006644100000000 ] - [ -0.0006311900000000, 0.0001358300000000, -0.0002638100000000 ] - [ -0.0007849200000000, -0.0000542100000000, -0.0002517600000000 ] - [ -0.0003209800000000, -0.0000326900000000, -0.0002642700000000 ] - [ -0.0001539000000000, 0.0004481000000000, 0.0007358800000000 ] - [ 0.0003542800000000, 0.0002007700000000, -0.0000038800000000 ] - [ 0.0030567000000000, 0.0014134500000000, -0.0012701900000000 ] - [ 0.0002720900000000, 0.0000648000000000, 0.0002273900000000 ] - [ -0.0009027500000000, -0.0008420400000000, 0.0003426800000000 ] - [ -0.0001445600000000, -0.0001430300000000, -0.0000891400000000 ] - [ -0.0034975400000000, -0.0009438800000000, -0.0008242500000000 ] - [ -0.0003669900000000, -0.0001194700000000, 0.0006756700000000 ] - [ 0.0019031800000000, -0.0003944500000000, -0.0039990400000000 ] - [ 0.0012825400000000, -0.0003261700000000, 0.0007878000000000 ] - [ 0.0000115200000000, 0.0005044100000000, 0.0003448600000000 ] - [ 0.0001593700000000, 0.0000756500000000, 0.0001226000000000 ] - [ 0.0001795500000000, 0.0003121800000000, -0.0001908000000000 ] - [ -0.0000243800000000, 0.0001394100000000, -0.0000582600000000 ] - [ 0.0023441100000000, -0.0010922100000000, -0.0002825600000000 ] - [ -0.0000567900000000, -0.0000566000000000, 0.0002760000000000 ] - [ 0.0000463600000000, 0.0003487400000000, -0.0013404100000000 ] - [ -0.0002047900000000, 0.0003516100000000, 0.0006076500000000 ] - [ -0.0009332800000000, -0.0001725300000000, -0.0002162100000000 ] - [ 0.0000115200000000, -0.0000801700000000, -0.0002452400000000 ] - [ 0.0006228100000000, -0.0000770500000000, -0.0000977500000000 ] - [ -0.0001353200000000, -0.0003050500000000, 0.0005083700000000 ] - [ -0.0000038600000000, -0.0001068200000000, 0.0002911200000000 ] - [ 0.0000283100000000, 0.0001128800000000, 0.0003019300000000 ] - [ -0.0003019700000000, 0.0001957700000000, -0.0005023800000000 ] - [ -0.0000419900000000, 0.0001048800000000, -0.0002167200000000 ]- atom: 13 displacement: [ -0.0099999386121055, 0.0000000000000000, 0.0000350393225009 ] forces: - [ 0.0003221400000000, 0.0000764000000000, 0.0001359700000000 ] - [ 0.0000481700000000, 0.0000660100000000, 0.0001500000000000 ] - [ 0.0003303100000000, 0.0007087300000000, 0.0006876800000000 ] - [ 0.0001137600000000, 0.0000804900000000, 0.0000672400000000 ] - [ 0.0012314900000000, 0.0012145200000000, 0.0007614500000000 ] - [ -0.0001626900000000, -0.0001677000000000, 0.0001615800000000 ] - [ -0.0006922900000000, 0.0004149600000000, 0.0005109900000000 ] - [ 0.0005261700000000, -0.0000783000000000, -0.0000978400000000 ] - [ 0.0003789300000000, 0.0000095500000000, -0.0001094300000000 ] - [ 0.0002968200000000, 0.0001322700000000, 0.0000741700000000 ] - [ 0.0000604500000000, 0.0001447800000000, -0.0000927400000000 ] - [ -0.0002966900000000, 0.0000705100000000, 0.0000893000000000 ] - [ 0.0725847400000000, -0.0357962000000000, -0.0422617400000000 ] - [ 0.0002847700000000, 0.0000557500000000, 0.0002661900000000 ] - [ -0.0003561000000000, 0.0001179600000000, -0.0008716200000000 ] - [ -0.0018745700000000, 0.0002127400000000, 0.0013225300000000 ] - [ -0.0005026800000000, -0.0006301500000000, -0.0000812300000000 ] - [ -0.0002502000000000, -0.0001059100000000, 0.0000386000000000 ] - [ 0.0005806000000000, -0.0003159500000000, 0.0000134400000000 ] - [ 0.0005812800000000, 0.0006641800000000, 0.0001076400000000 ] - [ -0.0005062800000000, -0.0000561600000000, -0.0000455700000000 ] - [ -0.0006354600000000, -0.0000424100000000, -0.0000850500000000 ] - [ -0.0027431800000000, 0.0042901400000000, -0.0007242300000000 ] - [ 0.0002489600000000, 0.0000784400000000, -0.0000742500000000 ] - [ 0.0007143800000000, 0.0001506900000000, -0.0016875700000000 ] - [ -0.0005173500000000, 0.0001512300000000, 0.0003460000000000 ] - [ -0.0011063100000000, 0.0000143000000000, -0.0000030800000000 ] - [ -0.0003698800000000, -0.0000634900000000, 0.0000280300000000 ] - [ -0.0062548700000000, 0.0075859900000000, 0.0018659100000000 ] - [ 0.0003183100000000, -0.0002708900000000, 0.0003506400000000 ] - [ 0.0005876800000000, -0.0001423000000000, -0.0001885100000000 ] - [ 0.0001370000000000, 0.0005133200000000, 0.0004770800000000 ] - [ -0.0056599000000000, 0.0025846200000000, 0.0057963200000000 ] - [ 0.0005241300000000, 0.0004119400000000, 0.0004436000000000 ] - [ 0.0006794000000000, -0.0016544500000000, -0.0006798000000000 ] - [ -0.0000028300000000, -0.0006867600000000, 0.0001674600000000 ] - [ 0.0002885600000000, 0.0002433300000000, 0.0002473400000000 ] - [ 0.0004389600000000, 0.0000650200000000, -0.0001497600000000 ] - [ -0.0000397500000000, 0.0001999200000000, -0.0000896700000000 ] - [ -0.0002062800000000, 0.0002156500000000, 0.0000039500000000 ] - [ -0.0006426300000000, 0.0001562300000000, -0.0001698900000000 ] - [ -0.0002170400000000, -0.0000395000000000, -0.0002957400000000 ] - [ -0.0009361300000000, 0.0009311500000000, -0.0009516400000000 ] - [ -0.0001628700000000, 0.0000968300000000, -0.0000288900000000 ] - [ -0.0008471100000000, 0.0000312000000000, -0.0000768100000000 ] - [ -0.0005055100000000, -0.0000996300000000, -0.0000558500000000 ] - [ 0.0006880100000000, 0.0001215700000000, -0.0001976000000000 ] - [ 0.0002788000000000, -0.0000136900000000, 0.0001599900000000 ] - [ -0.0019102800000000, -0.0001865900000000, 0.0011308700000000 ] - [ 0.0006040100000000, -0.0000424000000000, -0.0000747600000000 ] - [ -0.0012051200000000, 0.0002117100000000, -0.0000367300000000 ] - [ -0.0007502900000000, 0.0001047100000000, -0.0001042200000000 ] - [ -0.0004020000000000, 0.0004254200000000, 0.0001429300000000 ] - [ 0.0001456000000000, 0.0001197700000000, -0.0000527700000000 ] - [ -0.0002580600000000, 0.0001413800000000, 0.0001303500000000 ] - [ -0.0000682500000000, 0.0002842000000000, -0.0001506300000000 ] - [ -0.0003353600000000, -0.0012489800000000, -0.0001468600000000 ] - [ -0.0001588500000000, -0.0002055700000000, 0.0000895500000000 ] - [ -0.0001768200000000, -0.0002073600000000, 0.0000160000000000 ] - [ -0.0001765100000000, -0.0002213900000000, -0.0000696800000000 ] - [ 0.0000327700000000, 0.0000010800000000, 0.0003686800000000 ] - [ 0.0001947400000000, 0.0004266900000000, 0.0006294200000000 ] - [ -0.0014439300000000, 0.0016469600000000, -0.0007081400000000 ] - [ 0.0001066100000000, 0.0001140400000000, -0.0001155900000000 ] - [ -0.0000006800000000, 0.0000392600000000, -0.0000766500000000 ] - [ 0.0001510800000000, 0.0000540400000000, -0.0003701200000000 ] - [ 0.0001216000000000, -0.0001840000000000, -0.0000064000000000 ] - [ -0.0000936900000000, -0.0000707400000000, 0.0003611400000000 ] - [ -0.0006080900000000, 0.0007381500000000, -0.0002715200000000 ] - [ 0.0001862600000000, -0.0001251100000000, 0.0001009500000000 ] - [ -0.0004550800000000, -0.0001562000000000, -0.0001238600000000 ] - [ -0.0003159700000000, -0.0000237300000000, -0.0003261400000000 ] - [ -0.0000818300000000, 0.0006644100000000, -0.0001327600000000 ] - [ -0.0001081900000000, 0.0006473000000000, 0.0000145000000000 ] - [ -0.0006689600000000, -0.0010215800000000, 0.0001760500000000 ] - [ -0.0000046800000000, -0.0008091800000000, -0.0001530200000000 ] - [ -0.0002338600000000, -0.0004350700000000, -0.0009157400000000 ] - [ -0.0005471700000000, 0.0000139800000000, 0.0004766500000000 ] - [ -0.0018701600000000, -0.0003087300000000, -0.0000089200000000 ] - [ -0.0003398000000000, 0.0001746600000000, -0.0001101000000000 ] - [ -0.0419001200000000, 0.0245316500000000, 0.0350383900000000 ] - [ -0.0002120800000000, 0.0001943700000000, -0.0002737700000000 ] - [ 0.0018331700000000, -0.0029228000000000, -0.0015854300000000 ] - [ -0.0005220500000000, -0.0001018400000000, 0.0003260100000000 ] - [ 0.0001415100000000, 0.0001208000000000, -0.0001105500000000 ] - [ 0.0002187300000000, -0.0000356900000000, -0.0001772700000000 ] - [ -0.0013462600000000, -0.0000995100000000, 0.0005017500000000 ] - [ -0.0002361800000000, -0.0000814500000000, -0.0000286500000000 ] - [ 0.0018438000000000, -0.0025576500000000, -0.0029263300000000 ] - [ 0.0001102500000000, -0.0003566000000000, -0.0000773800000000 ] - [ -0.0003904800000000, -0.0004290100000000, -0.0002364300000000 ] - [ -0.0005329900000000, -0.0003568800000000, -0.0000873100000000 ] - [ -0.0005562100000000, 0.0002497700000000, 0.0000367600000000 ] - [ -0.0002361600000000, 0.0002308400000000, -0.0001357200000000 ] - [ 0.0000712700000000, 0.0003176000000000, 0.0000281100000000 ] - [ 0.0002499300000000, 0.0002169300000000, -0.0001495700000000 ] - [ 0.0003768000000000, -0.0002593300000000, 0.0003565500000000 ] - [ -0.0000456200000000, 0.0000825500000000, 0.0001024300000000 ] - [ 0.0002131100000000, -0.0000967200000000, 0.0001091400000000 ] - [ 0.0003168900000000, 0.0000338500000000, -0.0001111100000000 ] - [ 0.0010358700000000, 0.0011297400000000, 0.0003336400000000 ] - [ 0.0001560900000000, -0.0000564600000000, -0.0000074700000000 ] - [ 0.0005631900000000, -0.0001071000000000, 0.0002172800000000 ] - [ 0.0004761000000000, 0.0003526200000000, 0.0004138700000000 ] - [ 0.0005937300000000, -0.0013581400000000, 0.0015566900000000 ] - [ 0.0002186300000000, -0.0002674300000000, -0.0001484600000000 ] - [ 0.0005629400000000, -0.0007123400000000, 0.0008375500000000 ] - [ 0.0001250600000000, -0.0002156500000000, 0.0001671500000000 ] - [ 0.0009580900000000, -0.0000938800000000, 0.0000724400000000 ] - [ 0.0000558700000000, 0.0003839800000000, 0.0002061500000000 ] - [ 0.0011369100000000, -0.0006118500000000, -0.0007505700000000 ] - [ 0.0002198900000000, 0.0005384700000000, 0.0005037800000000 ] - [ -0.0106623100000000, -0.0000749500000000, -0.0035861700000000 ] - [ 0.0002159500000000, 0.0001309900000000, -0.0001676100000000 ] - [ 0.0009803400000000, 0.0001016700000000, 0.0003175900000000 ] - [ 0.0002618300000000, -0.0000103900000000, -0.0000801500000000 ] - [ 0.0004134500000000, -0.0000750400000000, -0.0000918400000000 ] - [ -0.0000492700000000, -0.0000938300000000, -0.0000841700000000 ] - [ 0.0005247500000000, -0.0005798500000000, -0.0003903300000000 ] - [ 0.0000171900000000, -0.0003365000000000, 0.0003506700000000 ] - [ -0.0027741200000000, -0.0014712800000000, 0.0009094300000000 ] - [ 0.0000022300000000, -0.0001470400000000, -0.0005835200000000 ] - [ 0.0006239900000000, 0.0007626100000000, 0.0000190300000000 ] - [ -0.0001387500000000, 0.0000595900000000, 0.0004498800000000 ] - [ 0.0032422900000000, 0.0010344100000000, 0.0011851100000000 ] - [ 0.0000870000000000, 0.0002039000000000, -0.0003248300000000 ] - [ -0.0016119400000000, 0.0004603000000000, 0.0035797100000000 ] - [ -0.0010110200000000, 0.0004086800000000, -0.0011474100000000 ] - [ 0.0003542300000000, -0.0003763800000000, -0.0000011400000000 ] - [ 0.0002079000000000, 0.0000544300000000, 0.0002205100000000 ] - [ -0.0005504600000000, -0.0001828900000000, -0.0001506700000000 ] - [ -0.0003422000000000, -0.0000137100000000, -0.0002848800000000 ] - [ -0.0027112200000000, 0.0009774100000000, -0.0000636900000000 ] - [ -0.0003129700000000, -0.0000717800000000, -0.0006225200000000 ] - [ 0.0003189600000000, -0.0004758300000000, 0.0016880200000000 ] - [ 0.0005732700000000, -0.0004797600000000, -0.0002669000000000 ] - [ 0.0012120700000000, 0.0000882800000000, -0.0001390100000000 ] - [ 0.0002657800000000, -0.0000025600000000, -0.0001109300000000 ] - [ -0.0008936700000000, -0.0000038700000000, 0.0004572400000000 ] - [ -0.0001437800000000, 0.0002232300000000, -0.0001480000000000 ] - [ -0.0002722000000000, 0.0001886200000000, 0.0000669800000000 ] - [ -0.0003034400000000, -0.0000311200000000, 0.0000583000000000 ] - [ 0.0005756500000000, -0.0001152900000000, 0.0001448400000000 ] - [ 0.0003165400000000, -0.0000229400000000, -0.0001422300000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003594900000000, 0.0010718500000000, -0.0003316800000000 ] - [ -0.0000467200000000, 0.0001872400000000, 0.0000393700000000 ] - [ -0.0005206100000000, 0.0008684200000000, 0.0000960000000000 ] - [ -0.0000955000000000, 0.0003339800000000, -0.0002663600000000 ] - [ -0.0035865200000000, 0.0059233900000000, 0.0068635000000000 ] - [ -0.0002186200000000, -0.0002940700000000, -0.0001819900000000 ] - [ -0.0001688900000000, -0.0004524900000000, 0.0006893400000000 ] - [ 0.0001594400000000, -0.0001416500000000, -0.0001977700000000 ] - [ 0.0008763100000000, 0.0008906300000000, 0.0001846300000000 ] - [ 0.0003728800000000, 0.0002243600000000, 0.0000523400000000 ] - [ -0.0006103100000000, 0.0008542000000000, -0.0000477700000000 ] - [ -0.0003952300000000, 0.0004959300000000, -0.0001716000000000 ] - [ 0.0358319600000000, -0.0500102600000000, -0.0315971400000000 ] - [ 0.0002778000000000, -0.0001104300000000, -0.0000083300000000 ] - [ -0.0002243500000000, -0.0004563300000000, 0.0000637200000000 ] - [ -0.0001294200000000, -0.0003348500000000, -0.0000646100000000 ] - [ 0.0002926700000000, -0.0000521600000000, -0.0001943000000000 ] - [ -0.0002256100000000, -0.0000820400000000, 0.0000557900000000 ] - [ 0.0009963600000000, 0.0002798700000000, -0.0013466300000000 ] - [ 0.0000351100000000, 0.0002868400000000, 0.0003458100000000 ] - [ -0.0001325700000000, 0.0000066400000000, 0.0002091700000000 ] - [ -0.0002812400000000, 0.0000213100000000, 0.0000756100000000 ] - [ -0.0037055700000000, 0.0023420900000000, -0.0001849100000000 ] - [ 0.0001594900000000, 0.0000642400000000, -0.0002961400000000 ] - [ -0.0006132000000000, -0.0011120700000000, -0.0016475300000000 ] - [ -0.0005093800000000, -0.0002520500000000, -0.0000209700000000 ] - [ -0.0001344200000000, -0.0002785500000000, 0.0001738100000000 ] - [ -0.0001932500000000, -0.0002081500000000, 0.0001712100000000 ] - [ -0.0061514400000000, 0.0039265900000000, 0.0013919100000000 ] - [ 0.0001948300000000, -0.0002924000000000, 0.0001887000000000 ] - [ -0.0002955400000000, -0.0002629400000000, -0.0016433100000000 ] - [ -0.0010859100000000, -0.0007545200000000, 0.0002412500000000 ] - [ 0.0013144000000000, -0.0014284500000000, -0.0011804100000000 ] - [ 0.0002387200000000, 0.0001566900000000, 0.0001398900000000 ] - [ 0.0010093200000000, 0.0018244600000000, 0.0009173000000000 ] - [ 0.0001639700000000, -0.0005064500000000, -0.0001219000000000 ] - [ 0.0003684300000000, 0.0004924900000000, 0.0001063300000000 ] - [ 0.0003438200000000, 0.0009429900000000, 0.0005713700000000 ] - [ 0.0003014700000000, 0.0017664700000000, -0.0000475100000000 ] - [ -0.0002728200000000, 0.0003389700000000, -0.0001101200000000 ] - [ -0.0001408000000000, -0.0004135200000000, -0.0000512400000000 ] - [ -0.0002383800000000, -0.0002914200000000, -0.0002588400000000 ] - [ -0.0002832400000000, -0.0002222500000000, -0.0002045400000000 ] - [ -0.0000370900000000, 0.0000473100000000, 0.0000185700000000 ] - [ -0.0004224300000000, -0.0000162200000000, -0.0000346700000000 ] - [ -0.0003352200000000, 0.0000068400000000, 0.0000495100000000 ] - [ -0.0006597300000000, 0.0008900500000000, -0.0007465700000000 ] - [ 0.0002902800000000, 0.0000031400000000, 0.0000958800000000 ] - [ 0.0005760300000000, -0.0007426300000000, -0.0005002100000000 ] - [ 0.0004311400000000, -0.0002586100000000, -0.0000289800000000 ] - [ -0.0004891800000000, -0.0001266300000000, 0.0000205200000000 ] - [ -0.0003523900000000, -0.0000276100000000, 0.0000113900000000 ] - [ -0.0000790800000000, 0.0004394800000000, 0.0000429900000000 ] - [ 0.0002230100000000, 0.0002002100000000, -0.0000308400000000 ] - [ -0.0001901100000000, 0.0003435300000000, -0.0000061700000000 ] - [ -0.0000460300000000, 0.0006207100000000, -0.0001793500000000 ] - [ 0.0009231200000000, 0.0001791600000000, -0.0001136300000000 ] - [ -0.0001271200000000, -0.0002192200000000, 0.0000444700000000 ] - [ 0.0001233200000000, -0.0001188800000000, 0.0000572900000000 ] - [ 0.0001368400000000, -0.0001193800000000, -0.0001518600000000 ] - [ 0.0002304200000000, 0.0004669700000000, -0.0005330300000000 ] - [ -0.0000427100000000, 0.0016085100000000, 0.0018334500000000 ] - [ -0.0009100400000000, 0.0013361900000000, -0.0004792000000000 ] - [ 0.0001050400000000, 0.0001633500000000, -0.0001792000000000 ] - [ 0.0001126800000000, 0.0000965300000000, -0.0001064800000000 ] - [ 0.0001891600000000, 0.0002683900000000, -0.0002266300000000 ] - [ -0.0001677200000000, 0.0013398800000000, 0.0004991500000000 ] - [ -0.0002211900000000, 0.0001185600000000, 0.0002098900000000 ] - [ -0.0004472800000000, 0.0005666400000000, -0.0001118500000000 ] - [ 0.0002179800000000, -0.0000784000000000, 0.0000849300000000 ] - [ -0.0002923900000000, -0.0000895400000000, -0.0000876800000000 ] - [ -0.0004252000000000, -0.0000998200000000, -0.0003345500000000 ] - [ -0.0001426200000000, 0.0010170600000000, -0.0000542000000000 ] - [ -0.0000040700000000, 0.0007086000000000, 0.0000346400000000 ] - [ 0.0000816500000000, -0.0006995800000000, -0.0001602900000000 ] - [ 0.0000663500000000, -0.0006846400000000, 0.0000877300000000 ] - [ 0.0001994200000000, -0.0001548800000000, 0.0000834900000000 ] - [ 0.0002154100000000, -0.0000093400000000, -0.0000194400000000 ] - [ -0.0002423600000000, -0.0000599500000000, -0.0001344700000000 ] - [ -0.0001942900000000, 0.0000700500000000, -0.0001049800000000 ] - [ -0.0261142200000000, 0.0248233300000000, 0.0254559200000000 ] - [ -0.0000905000000000, 0.0004039900000000, 0.0000639000000000 ] - [ -0.0000136400000000, 0.0015493900000000, 0.0001351400000000 ] - [ 0.0006344100000000, 0.0009533900000000, 0.0003256000000000 ] - [ -0.0011485900000000, -0.0008702100000000, 0.0007544900000000 ] - [ 0.0001307400000000, -0.0002828900000000, -0.0000535500000000 ] - [ 0.0008023400000000, -0.0011027300000000, -0.0006734000000000 ] - [ -0.0007122600000000, -0.0007355100000000, 0.0004323600000000 ] - [ 0.0015491400000000, -0.0018612300000000, -0.0020449600000000 ] - [ 0.0002310000000000, -0.0002805500000000, 0.0001166300000000 ] - [ 0.0030753200000000, -0.0019223800000000, -0.0013833400000000 ] - [ -0.0005882900000000, -0.0005697100000000, 0.0004517100000000 ] - [ 0.0003143700000000, -0.0011134400000000, 0.0000956000000000 ] - [ -0.0002041700000000, -0.0000085000000000, -0.0000028800000000 ] - [ 0.0003542800000000, -0.0005435800000000, 0.0002420500000000 ] - [ 0.0001729800000000, -0.0000118900000000, -0.0000052900000000 ] - [ 0.0001770600000000, -0.0002212000000000, 0.0003406400000000 ] - [ -0.0001631500000000, -0.0000321200000000, 0.0000580300000000 ] - [ 0.0003965600000000, -0.0007143300000000, 0.0006544400000000 ] - [ 0.0001685400000000, -0.0000653500000000, -0.0000596600000000 ] - [ -0.0002675000000000, 0.0004156600000000, 0.0004256800000000 ] - [ 0.0001284700000000, 0.0000169100000000, -0.0001091100000000 ] - [ -0.0001341200000000, 0.0000579800000000, 0.0001694600000000 ] - [ -0.0001586100000000, 0.0000332200000000, 0.0000782000000000 ] - [ 0.0010291300000000, -0.0007415500000000, 0.0011615700000000 ] - [ 0.0002262900000000, -0.0003423900000000, -0.0000625800000000 ] - [ 0.0000149500000000, -0.0004036200000000, 0.0001423000000000 ] - [ -0.0001500600000000, -0.0003154200000000, 0.0000326300000000 ] - [ -0.0000677200000000, 0.0006398100000000, 0.0000902400000000 ] - [ -0.0000984800000000, 0.0005743600000000, 0.0001262100000000 ] - [ 0.0001984300000000, 0.0009428100000000, 0.0002506600000000 ] - [ 0.0006119500000000, 0.0012880200000000, 0.0003743100000000 ] - [ 0.0018393500000000, 0.0026254400000000, 0.0010158200000000 ] - [ 0.0002168800000000, 0.0003138200000000, 0.0000947200000000 ] - [ -0.0000542500000000, 0.0003163800000000, -0.0001993800000000 ] - [ -0.0001821100000000, 0.0002241700000000, -0.0001385700000000 ] - [ -0.0001804500000000, -0.0000184500000000, -0.0002240500000000 ] - [ -0.0001579000000000, -0.0000899500000000, -0.0001277500000000 ] - [ 0.0006085400000000, -0.0003338500000000, -0.0003296200000000 ] - [ 0.0003823800000000, -0.0002940800000000, 0.0005674800000000 ] - [ 0.0005666900000000, 0.0091810600000000, -0.0029026800000000 ] - [ 0.0001380500000000, 0.0000256700000000, -0.0003901300000000 ] - [ -0.0002446200000000, 0.0000787500000000, 0.0003190200000000 ] - [ -0.0004904900000000, 0.0001676900000000, -0.0003313700000000 ] - [ -0.0010194400000000, 0.0012139400000000, 0.0000798000000000 ] - [ -0.0000631900000000, 0.0002201700000000, 0.0001659500000000 ] - [ -0.0006727300000000, 0.0013282500000000, 0.0023153500000000 ] - [ -0.0000687900000000, 0.0008461300000000, -0.0000748700000000 ] - [ 0.0000991300000000, -0.0007585400000000, 0.0002497100000000 ] - [ 0.0001887300000000, -0.0001730900000000, 0.0000803000000000 ] - [ -0.0001621700000000, -0.0010673900000000, 0.0001111900000000 ] - [ -0.0000516600000000, -0.0004601000000000, -0.0002415100000000 ] - [ -0.0011605200000000, -0.0020518400000000, 0.0009618900000000 ] - [ -0.0000715700000000, 0.0000563600000000, -0.0006023800000000 ] - [ 0.0005304900000000, -0.0004183600000000, 0.0012361400000000 ] - [ 0.0004138900000000, -0.0001349300000000, 0.0000073100000000 ] - [ 0.0004471000000000, -0.0001828100000000, -0.0003305800000000 ] - [ 0.0001695600000000, -0.0001231600000000, -0.0001466800000000 ] - [ -0.0013393300000000, -0.0007731200000000, -0.0002897600000000 ] - [ -0.0002770400000000, -0.0000608600000000, 0.0002708200000000 ] - [ -0.0003442500000000, -0.0007354200000000, 0.0002926200000000 ] - [ -0.0003716000000000, -0.0003153800000000, -0.0000916100000000 ] - [ 0.0001930300000000, -0.0003615300000000, -0.0000261100000000 ] - [ 0.0002021400000000, -0.0001336800000000, -0.0001550900000000 ]- atom: 13 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003461100000000, -0.0011752600000000, 0.0003207400000000 ] - [ 0.0000544600000000, -0.0002826600000000, -0.0000287300000000 ] - [ 0.0005125300000000, -0.0007749400000000, -0.0001025800000000 ] - [ 0.0000848100000000, -0.0002424500000000, 0.0002564900000000 ] - [ 0.0028628700000000, -0.0060724100000000, -0.0068353600000000 ] - [ -0.0005046200000000, 0.0001122400000000, 0.0001517100000000 ] - [ 0.0008989800000000, 0.0002777400000000, -0.0006650300000000 ] - [ 0.0005700500000000, -0.0000220400000000, 0.0002160600000000 ] - [ -0.0001492600000000, -0.0007146700000000, -0.0001592600000000 ] - [ 0.0003557500000000, -0.0000329600000000, -0.0000135800000000 ] - [ -0.0000968600000000, -0.0006821000000000, 0.0000219700000000 ] - [ -0.0003395900000000, -0.0003279600000000, 0.0001507600000000 ] - [ -0.0346354500000000, 0.0505644200000000, 0.0307697300000000 ] - [ 0.0001753800000000, 0.0003191200000000, -0.0000344200000000 ] - [ -0.0002397600000000, 0.0006573800000000, -0.0000031600000000 ] - [ -0.0003263500000000, 0.0005389300000000, 0.0001127000000000 ] - [ -0.0007441000000000, -0.0001586900000000, 0.0002362000000000 ] - [ -0.0002159300000000, -0.0001351900000000, -0.0000236800000000 ] - [ -0.0005446600000000, -0.0004847400000000, 0.0013070300000000 ] - [ 0.0004380400000000, -0.0004789200000000, -0.0004075200000000 ] - [ -0.0002295900000000, 0.0001556700000000, 0.0001418900000000 ] - [ -0.0000747300000000, 0.0001441000000000, 0.0002798400000000 ] - [ 0.0040843800000000, -0.0021817200000000, -0.0001832600000000 ] - [ 0.0001896200000000, 0.0001124900000000, -0.0000712100000000 ] - [ 0.0009685600000000, 0.0009535700000000, 0.0012821900000000 ] - [ 0.0008616400000000, 0.0000851900000000, -0.0003352600000000 ] - [ -0.0002267300000000, 0.0001174300000000, 0.0001778200000000 ] - [ -0.0001641600000000, 0.0000411400000000, 0.0001850800000000 ] - [ 0.0065824700000000, -0.0042883000000000, -0.0011533100000000 ] - [ 0.0002829800000000, -0.0000844000000000, 0.0000615300000000 ] - [ -0.0001888000000000, -0.0001232100000000, 0.0014125600000000 ] - [ 0.0005963600000000, 0.0003631600000000, -0.0004728200000000 ] - [ -0.0012948900000000, 0.0026222000000000, 0.0011672100000000 ] - [ -0.0002353200000000, 0.0010375400000000, -0.0001420300000000 ] - [ -0.0010281900000000, -0.0030317300000000, -0.0009168400000000 ] - [ -0.0001727700000000, -0.0006966800000000, 0.0001267400000000 ] - [ 0.0001168400000000, -0.0001034400000000, 0.0001274900000000 ] - [ 0.0001277700000000, -0.0005713500000000, -0.0003417600000000 ] - [ -0.0008037900000000, -0.0013790300000000, -0.0001906900000000 ] - [ -0.0002153200000000, 0.0000467700000000, -0.0001463200000000 ] - [ 0.0001456900000000, 0.0003177900000000, 0.0000574100000000 ] - [ 0.0002386000000000, 0.0001910100000000, 0.0002568600000000 ] - [ 0.0002864700000000, 0.0003238900000000, 0.0002072200000000 ] - [ 0.0000465900000000, 0.0000556000000000, -0.0000078600000000 ] - [ -0.0003016800000000, -0.0001502100000000, 0.0000170900000000 ] - [ -0.0003904800000000, -0.0001703000000000, -0.0000645100000000 ] - [ 0.0013988300000000, -0.0010800800000000, 0.0007873800000000 ] - [ 0.0004299900000000, -0.0001915800000000, -0.0000591500000000 ] - [ 0.0001341400000000, 0.0009279400000000, 0.0005433900000000 ] - [ 0.0003054500000000, 0.0004439200000000, 0.0000648200000000 ] - [ -0.0002332200000000, 0.0002888400000000, -0.0000323600000000 ] - [ -0.0003604900000000, 0.0001970000000000, -0.0000305300000000 ] - [ 0.0005462700000000, -0.0002412500000000, -0.0001008400000000 ] - [ 0.0002446900000000, -0.0000021200000000, -0.0000298800000000 ] - [ -0.0002566100000000, -0.0001302700000000, 0.0000439200000000 ] - [ -0.0003931800000000, -0.0004031400000000, 0.0002130600000000 ] - [ -0.0013606600000000, -0.0004009900000000, 0.0001481800000000 ] - [ -0.0003095200000000, -0.0000035200000000, -0.0000138500000000 ] - [ 0.0003445200000000, -0.0000809100000000, -0.0001137200000000 ] - [ 0.0003333100000000, -0.0000786200000000, 0.0000909900000000 ] - [ -0.0005755900000000, -0.0002969000000000, 0.0008932300000000 ] - [ -0.0003102800000000, -0.0014367700000000, -0.0014678700000000 ] - [ 0.0012697500000000, -0.0011731000000000, 0.0001282900000000 ] - [ 0.0002584600000000, -0.0000069100000000, -0.0001649100000000 ] - [ 0.0002373600000000, -0.0002716600000000, -0.0002582400000000 ] - [ 0.0001711400000000, -0.0004324100000000, -0.0001252000000000 ] - [ -0.0001777900000000, -0.0015085900000000, -0.0001230200000000 ] - [ -0.0001391500000000, -0.0002778000000000, 0.0001403000000000 ] - [ 0.0009277100000000, -0.0009488500000000, 0.0003412600000000 ] - [ 0.0002643100000000, -0.0003068500000000, 0.0001385400000000 ] - [ -0.0001935500000000, -0.0002926700000000, -0.0001601400000000 ] - [ -0.0000660800000000, -0.0002894700000000, 0.0000861700000000 ] - [ 0.0001333100000000, 0.0001805900000000, 0.0000628200000000 ] - [ -0.0000061700000000, 0.0004860300000000, -0.0000284800000000 ] - [ -0.0000973200000000, -0.0004977400000000, 0.0001687300000000 ] - [ -0.0000823100000000, -0.0005149200000000, -0.0000758800000000 ] - [ 0.0002730300000000, 0.0005266300000000, 0.0001443900000000 ] - [ 0.0002567000000000, 0.0003876200000000, 0.0002485800000000 ] - [ -0.0002522400000000, 0.0004424300000000, -0.0001116400000000 ] - [ -0.0003015300000000, 0.0003248800000000, -0.0001354800000000 ] - [ 0.0251742000000000, -0.0246099500000000, -0.0247719900000000 ] - [ -0.0002345200000000, -0.0002018100000000, 0.0000695600000000 ] - [ 0.0003314100000000, -0.0013382900000000, -0.0002693800000000 ] - [ -0.0003059600000000, -0.0007521900000000, -0.0004680000000000 ] - [ 0.0014789200000000, 0.0006665100000000, -0.0008917200000000 ] - [ 0.0001912200000000, 0.0000780300000000, -0.0000797500000000 ] - [ -0.0011304900000000, 0.0009039100000000, 0.0008165300000000 ] - [ 0.0003922100000000, 0.0005373600000000, -0.0002973900000000 ] - [ -0.0012357800000000, 0.0012978700000000, 0.0019491800000000 ] - [ 0.0000941000000000, -0.0002853000000000, -0.0002114200000000 ] - [ -0.0033923000000000, 0.0013576300000000, 0.0014847100000000 ] - [ 0.0002666700000000, 0.0000047700000000, -0.0003587600000000 ] - [ -0.0006352500000000, 0.0016841300000000, 0.0000029600000000 ] - [ -0.0001209600000000, 0.0005721400000000, 0.0000927400000000 ] - [ -0.0000303600000000, 0.0011123900000000, -0.0003299000000000 ] - [ 0.0001503700000000, 0.0005793400000000, -0.0000856200000000 ] - [ -0.0005043400000000, 0.0004216300000000, -0.0002010900000000 ] - [ -0.0001609300000000, 0.0002330200000000, 0.0000824000000000 ] - [ -0.0000748700000000, 0.0009200700000000, -0.0007924200000000 ] - [ 0.0001533900000000, 0.0002670700000000, -0.0000738500000000 ] - [ 0.0005909000000000, -0.0006048500000000, -0.0005529700000000 ] - [ 0.0001926800000000, -0.0002134400000000, -0.0000266600000000 ] - [ -0.0001894400000000, -0.0002580000000000, -0.0000296100000000 ] - [ -0.0001636200000000, -0.0002296100000000, 0.0000586800000000 ] - [ -0.0007058600000000, 0.0001628900000000, -0.0012479000000000 ] - [ 0.0000923800000000, -0.0002309400000000, -0.0000337600000000 ] - [ -0.0003386500000000, -0.0001671800000000, -0.0000463000000000 ] - [ -0.0001708200000000, -0.0002549400000000, 0.0000617200000000 ] - [ -0.0002501200000000, -0.0000712500000000, 0.0000005400000000 ] - [ -0.0002201800000000, -0.0000050400000000, -0.0000345800000000 ] - [ 0.0001284200000000, -0.0003807400000000, -0.0003541200000000 ] - [ -0.0002856100000000, -0.0007117100000000, -0.0004675800000000 ] - [ -0.0014964000000000, -0.0025068300000000, -0.0006882300000000 ] - [ 0.0001545900000000, -0.0001751100000000, 0.0002522500000000 ] - [ -0.0003161000000000, -0.0002027300000000, -0.0001435600000000 ] - [ -0.0001923700000000, -0.0001137900000000, -0.0002013100000000 ] - [ -0.0001924600000000, -0.0000980700000000, -0.0001257000000000 ] - [ -0.0002135200000000, -0.0000359600000000, -0.0002219600000000 ] - [ -0.0002344000000000, 0.0001935900000000, 0.0006686600000000 ] - [ -0.0000010600000000, 0.0001555700000000, -0.0002343400000000 ] - [ -0.0003355300000000, -0.0097778500000000, 0.0027779300000000 ] - [ 0.0001296900000000, -0.0001047700000000, 0.0000365200000000 ] - [ -0.0000472300000000, -0.0001707900000000, 0.0000501200000000 ] - [ 0.0001933100000000, -0.0002564100000000, 0.0007016400000000 ] - [ 0.0007325900000000, -0.0011362800000000, 0.0002718500000000 ] - [ -0.0002126600000000, -0.0001374100000000, 0.0001891000000000 ] - [ 0.0009606600000000, -0.0012471800000000, -0.0026921800000000 ] - [ 0.0003504100000000, -0.0007711100000000, -0.0002826400000000 ] - [ 0.0002830400000000, 0.0008852000000000, 0.0000904600000000 ] - [ 0.0001901500000000, 0.0002956600000000, 0.0002647600000000 ] - [ -0.0002111600000000, 0.0011981300000000, -0.0004544700000000 ] - [ -0.0003117700000000, 0.0005797600000000, -0.0001027500000000 ] - [ 0.0007813200000000, 0.0020802600000000, -0.0013211100000000 ] - [ -0.0003090300000000, -0.0001764000000000, 0.0002617800000000 ] - [ -0.0001559600000000, 0.0003086500000000, -0.0008871800000000 ] - [ -0.0000458300000000, 0.0000151200000000, 0.0003421500000000 ] - [ -0.0001609700000000, 0.0001003000000000, -0.0000220200000000 ] - [ 0.0001159100000000, 0.0000392700000000, -0.0002095600000000 ] - [ 0.0010560800000000, 0.0007026100000000, 0.0006502100000000 ] - [ -0.0000068300000000, -0.0000131700000000, 0.0000943100000000 ] - [ 0.0000532600000000, 0.0008169900000000, 0.0000690500000000 ] - [ 0.0000840000000000, 0.0003951100000000, 0.0004534500000000 ] - [ 0.0000860300000000, 0.0004467400000000, -0.0003327200000000 ] - [ 0.0000682600000000, 0.0002166200000000, -0.0002066900000000 ]- atom: 13 displacement: [ -0.0026967483687124, 0.0000000000000000, 0.0096295144340640 ] forces: - [ 0.0001139800000000, -0.0001096600000000, -0.0001601400000000 ] - [ -0.0000471300000000, 0.0000875800000000, 0.0001990000000000 ] - [ -0.0007057300000000, 0.0007715500000000, -0.0004009700000000 ] - [ 0.0001717100000000, -0.0004341700000000, 0.0005731700000000 ] - [ -0.0027957700000000, 0.0081886600000000, 0.0059095300000000 ] - [ -0.0006562800000000, -0.0002264400000000, 0.0005710500000000 ] - [ -0.0002707000000000, 0.0006268400000000, -0.0002456300000000 ] - [ 0.0008256500000000, -0.0003982100000000, 0.0004728200000000 ] - [ 0.0007124200000000, 0.0002940700000000, -0.0002009100000000 ] - [ 0.0002815400000000, 0.0001427400000000, 0.0001787700000000 ] - [ -0.0002507400000000, 0.0004413000000000, -0.0003798000000000 ] - [ -0.0004853000000000, 0.0000680900000000, 0.0002265100000000 ] - [ 0.0601664900000000, -0.0400489700000000, -0.0801849400000000 ] - [ -0.0000248100000000, 0.0000979700000000, 0.0007315600000000 ] - [ 0.0006030100000000, 0.0000821400000000, 0.0000954000000000 ] - [ -0.0019113100000000, 0.0002279600000000, 0.0013027400000000 ] - [ -0.0002131200000000, -0.0004473000000000, -0.0004849000000000 ] - [ -0.0002581200000000, -0.0000614100000000, 0.0002844400000000 ] - [ 0.0001972600000000, -0.0005271400000000, 0.0002689800000000 ] - [ 0.0002836200000000, 0.0013666200000000, 0.0002966200000000 ] - [ -0.0002009300000000, 0.0001005600000000, 0.0001101100000000 ] - [ -0.0004317200000000, -0.0000740800000000, 0.0000462500000000 ] - [ -0.0028546500000000, 0.0035065700000000, -0.0028314600000000 ] - [ 0.0001865900000000, 0.0000002600000000, 0.0003708300000000 ] - [ 0.0018160200000000, -0.0000684000000000, 0.0019794600000000 ] - [ -0.0018609000000000, 0.0001889800000000, 0.0007758700000000 ] - [ -0.0006427100000000, -0.0000350900000000, -0.0003187500000000 ] - [ -0.0000242500000000, -0.0001375000000000, 0.0005782800000000 ] - [ -0.0014195000000000, 0.0017426800000000, -0.0011795500000000 ] - [ 0.0002367900000000, -0.0003163300000000, 0.0006861500000000 ] - [ 0.0000925000000000, -0.0015182800000000, 0.0015142000000000 ] - [ -0.0006776900000000, 0.0003032500000000, 0.0006482100000000 ] - [ -0.0069369000000000, 0.0026796500000000, 0.0046074800000000 ] - [ 0.0004151400000000, 0.0003974200000000, 0.0012228600000000 ] - [ 0.0009756300000000, 0.0005169900000000, -0.0008170300000000 ] - [ -0.0001509600000000, -0.0006975500000000, 0.0003316400000000 ] - [ 0.0001410200000000, 0.0001444500000000, 0.0001962300000000 ] - [ 0.0004524900000000, 0.0004766500000000, 0.0002149100000000 ] - [ -0.0005018900000000, 0.0000062900000000, -0.0007015400000000 ] - [ -0.0002645000000000, 0.0002067500000000, 0.0002022200000000 ] - [ -0.0006456900000000, 0.0000530800000000, -0.0004422500000000 ] - [ 0.0005391800000000, 0.0000294300000000, 0.0005800500000000 ] - [ -0.0003408100000000, 0.0001072200000000, -0.0005987900000000 ] - [ -0.0001018800000000, 0.0001474000000000, 0.0001717700000000 ] - [ -0.0005646200000000, -0.0001650000000000, -0.0002269400000000 ] - [ -0.0003681900000000, -0.0000153700000000, 0.0001151100000000 ] - [ 0.0007639300000000, -0.0000407100000000, -0.0003563700000000 ] - [ 0.0002211400000000, -0.0000284100000000, 0.0002694100000000 ] - [ -0.0021555800000000, -0.0004160300000000, 0.0000134100000000 ] - [ 0.0006543500000000, 0.0003278200000000, 0.0005555600000000 ] - [ -0.0006813500000000, 0.0001488200000000, -0.0002672300000000 ] - [ -0.0004041200000000, 0.0000639700000000, 0.0001751100000000 ] - [ -0.0001017300000000, 0.0002628200000000, -0.0001904800000000 ] - [ 0.0002309600000000, 0.0001109900000000, 0.0001078400000000 ] - [ -0.0003461800000000, 0.0001315000000000, 0.0001592100000000 ] - [ -0.0000282100000000, 0.0003354000000000, -0.0001905200000000 ] - [ -0.0001066500000000, -0.0005362300000000, -0.0007658100000000 ] - [ -0.0002794700000000, -0.0001013600000000, 0.0004881900000000 ] - [ 0.0001598900000000, -0.0000180500000000, -0.0000170600000000 ] - [ 0.0000804100000000, -0.0002221500000000, -0.0000378300000000 ] - [ -0.0003680600000000, -0.0002396400000000, 0.0001729900000000 ] - [ 0.0000321300000000, 0.0016582800000000, 0.0019837300000000 ] - [ -0.0003761800000000, 0.0006195300000000, -0.0007569200000000 ] - [ 0.0002345500000000, 0.0000268000000000, 0.0002098000000000 ] - [ 0.0000312600000000, 0.0000456500000000, -0.0000963300000000 ] - [ 0.0002758800000000, -0.0000057900000000, -0.0002048400000000 ] - [ -0.0001344900000000, -0.0001332600000000, -0.0006942400000000 ] - [ -0.0002396400000000, -0.0000666300000000, 0.0006301200000000 ] - [ -0.0005093800000000, 0.0006804100000000, -0.0005271800000000 ] - [ 0.0002872800000000, -0.0001913200000000, 0.0003675900000000 ] - [ -0.0003778100000000, -0.0001275500000000, -0.0000570000000000 ] - [ -0.0001608700000000, -0.0001729700000000, -0.0002191600000000 ] - [ 0.0001111700000000, 0.0006653900000000, -0.0002669000000000 ] - [ -0.0000623700000000, 0.0006321900000000, 0.0001832300000000 ] - [ -0.0004145100000000, -0.0009675500000000, -0.0001572700000000 ] - [ 0.0001081100000000, -0.0006070100000000, 0.0001876200000000 ] - [ 0.0004421200000000, 0.0001949300000000, -0.0000231000000000 ] - [ -0.0004590800000000, -0.0000819900000000, 0.0004072200000000 ] - [ -0.0004884200000000, 0.0003298100000000, -0.0006470100000000 ] - [ -0.0001805200000000, 0.0001740900000000, 0.0002349400000000 ] - [ -0.0446244800000000, 0.0293060400000000, 0.0452961200000000 ] - [ 0.0001464700000000, 0.0003433800000000, -0.0008524500000000 ] - [ 0.0021308600000000, -0.0030323600000000, -0.0012643200000000 ] - [ -0.0009198800000000, -0.0002371700000000, -0.0008201500000000 ] - [ -0.0004550800000000, -0.0005267400000000, 0.0010757100000000 ] - [ 0.0002826200000000, -0.0000090800000000, -0.0003588200000000 ] - [ -0.0004911000000000, -0.0006892100000000, 0.0003269200000000 ] - [ 0.0001262200000000, 0.0000223500000000, -0.0002163100000000 ] - [ 0.0007424300000000, -0.0007636600000000, -0.0000760300000000 ] - [ 0.0001386100000000, -0.0002960100000000, -0.0005959400000000 ] - [ 0.0030842800000000, -0.0019881900000000, -0.0012249800000000 ] - [ 0.0008348400000000, 0.0006636100000000, -0.0005137500000000 ] - [ -0.0004096400000000, 0.0002278000000000, 0.0005319200000000 ] - [ -0.0000225800000000, 0.0002230300000000, -0.0003643100000000 ] - [ 0.0000020600000000, 0.0001204600000000, 0.0000864400000000 ] - [ 0.0003139400000000, 0.0002181900000000, -0.0002126300000000 ] - [ 0.0001614400000000, -0.0001541400000000, 0.0006768900000000 ] - [ -0.0002090100000000, 0.0001277200000000, -0.0000869600000000 ] - [ 0.0000886100000000, 0.0000626300000000, 0.0001807800000000 ] - [ 0.0003076500000000, 0.0000300200000000, -0.0002279100000000 ] - [ 0.0009061400000000, 0.0009680100000000, 0.0012346700000000 ] - [ -0.0001009600000000, -0.0002856000000000, -0.0005078800000000 ] - [ 0.0003301200000000, -0.0000232100000000, 0.0003637500000000 ] - [ -0.0002156800000000, -0.0001343600000000, -0.0000733900000000 ] - [ 0.0006966300000000, -0.0010786000000000, 0.0022700100000000 ] - [ 0.0001643900000000, -0.0002499400000000, -0.0004543800000000 ] - [ 0.0000062000000000, -0.0004393100000000, 0.0004380500000000 ] - [ -0.0000372100000000, -0.0003105500000000, -0.0000371000000000 ] - [ 0.0003905500000000, 0.0003536600000000, 0.0005476000000000 ] - [ -0.0003400000000000, 0.0001197900000000, -0.0003451700000000 ] - [ 0.0012454400000000, -0.0002319600000000, -0.0001728400000000 ] - [ -0.0007129200000000, -0.0007215900000000, -0.0007070900000000 ] - [ 0.0023212200000000, 0.0005620800000000, 0.0044043700000000 ] - [ 0.0004552400000000, 0.0002484500000000, -0.0006595800000000 ] - [ 0.0003704100000000, 0.0001484300000000, 0.0002339900000000 ] - [ -0.0002153800000000, 0.0000518400000000, -0.0003710600000000 ] - [ 0.0001496000000000, -0.0000641100000000, 0.0000675200000000 ] - [ -0.0002426500000000, 0.0000656900000000, -0.0003678100000000 ] - [ 0.0007240000000000, -0.0006782900000000, -0.0000340300000000 ] - [ -0.0000388900000000, 0.0004007700000000, -0.0001258000000000 ] - [ -0.0014756200000000, -0.0049018300000000, 0.0044286800000000 ] - [ 0.0001935400000000, -0.0002414700000000, -0.0010318700000000 ] - [ 0.0005668700000000, 0.0008470800000000, 0.0001718800000000 ] - [ -0.0004638100000000, -0.0002396200000000, -0.0001931700000000 ] - [ 0.0001400400000000, 0.0003450400000000, 0.0019077900000000 ] - [ -0.0001246800000000, 0.0001673800000000, -0.0007190000000000 ] - [ -0.0027018300000000, 0.0011355900000000, 0.0114931900000000 ] - [ -0.0000740900000000, 0.0004716000000000, -0.0019111400000000 ] - [ 0.0003985200000000, -0.0002446100000000, 0.0004617900000000 ] - [ 0.0000761500000000, 0.0001417200000000, -0.0000852000000000 ] - [ -0.0003403600000000, -0.0003633000000000, 0.0001910500000000 ] - [ -0.0000767000000000, -0.0000719900000000, -0.0004366200000000 ] - [ -0.0008657700000000, 0.0017284100000000, 0.0025910300000000 ] - [ 0.0000678500000000, 0.0000774100000000, -0.0012299400000000 ] - [ -0.0002619300000000, 0.0000786000000000, 0.0010746600000000 ] - [ 0.0006055800000000, -0.0004938600000000, -0.0003260700000000 ] - [ 0.0006251900000000, -0.0001428400000000, 0.0001623100000000 ] - [ -0.0000295100000000, 0.0000094100000000, -0.0004374700000000 ] - [ -0.0016304600000000, -0.0007961900000000, 0.0003573700000000 ] - [ 0.0000620100000000, 0.0002538800000000, -0.0002512100000000 ] - [ -0.0001532300000000, 0.0000229500000000, 0.0004323200000000 ] - [ -0.0004206000000000, -0.0002370900000000, -0.0003596000000000 ] - [ 0.0002698500000000, -0.0000452800000000, -0.0000244600000000 ] - [ 0.0001656800000000, -0.0000248900000000, -0.0002896700000000 ]- atom: 13 displacement: [ 0.0026967483687124, 0.0000000000000000, -0.0096295144340640 ] forces: - [ -0.0001126400000000, 0.0000107400000000, 0.0001667200000000 ] - [ 0.0000440100000000, -0.0001812700000000, -0.0002007700000000 ] - [ 0.0007036400000000, -0.0006781100000000, 0.0003948400000000 ] - [ -0.0001717800000000, 0.0005348200000000, -0.0005775400000000 ] - [ 0.0020735400000000, -0.0082838300000000, -0.0058950000000000 ] - [ -0.0000744100000000, 0.0000555500000000, -0.0006053400000000 ] - [ 0.0010042700000000, -0.0007987800000000, 0.0002716500000000 ] - [ -0.0000948100000000, 0.0002236700000000, -0.0004385200000000 ] - [ 0.0000165500000000, -0.0001242400000000, 0.0002328900000000 ] - [ 0.0004514300000000, 0.0000285100000000, -0.0001509200000000 ] - [ -0.0004851700000000, -0.0002686000000000, 0.0003519600000000 ] - [ -0.0002473800000000, 0.0001068900000000, -0.0002586600000000 ] - [ -0.0581000500000000, 0.0390451300000000, 0.0794682700000000 ] - [ 0.0004785300000000, 0.0001108300000000, -0.0007727800000000 ] - [ -0.0010599100000000, 0.0001278100000000, -0.0000564100000000 ] - [ 0.0014564400000000, -0.0000164600000000, -0.0012638700000000 ] - [ -0.0002399800000000, 0.0002417500000000, 0.0005236300000000 ] - [ -0.0001934500000000, -0.0001470400000000, -0.0002487200000000 ] - [ 0.0002564800000000, 0.0003187500000000, -0.0003095600000000 ] - [ 0.0001676600000000, -0.0015908900000000, -0.0003334400000000 ] - [ -0.0001663600000000, 0.0000556900000000, 0.0002339300000000 ] - [ 0.0000646000000000, 0.0002290400000000, 0.0002953300000000 ] - [ 0.0032328400000000, -0.0033611200000000, 0.0025369800000000 ] - [ 0.0001829800000000, 0.0001538200000000, -0.0007146300000000 ] - [ -0.0014364200000000, -0.0000893500000000, -0.0023144200000000 ] - [ 0.0022521900000000, -0.0003455800000000, -0.0011255300000000 ] - [ 0.0002749400000000, -0.0001179500000000, 0.0006611200000000 ] - [ -0.0003424700000000, -0.0000194900000000, -0.0002329000000000 ] - [ 0.0019491900000000, -0.0021646700000000, 0.0014032400000000 ] - [ 0.0002488400000000, -0.0000642400000000, -0.0004518100000000 ] - [ -0.0005839700000000, 0.0011476500000000, -0.0017659200000000 ] - [ 0.0001926800000000, -0.0006858500000000, -0.0008895500000000 ] - [ 0.0068555300000000, -0.0014804800000000, -0.0045643000000000 ] - [ -0.0004267700000000, 0.0008120700000000, -0.0012296600000000 ] - [ -0.0009762200000000, -0.0017153800000000, 0.0008237400000000 ] - [ 0.0001533700000000, -0.0005019800000000, -0.0003350300000000 ] - [ 0.0003442800000000, 0.0002375100000000, 0.0000398100000000 ] - [ 0.0000333000000000, -0.0000920200000000, 0.0000250400000000 ] - [ 0.0000197000000000, 0.0003761400000000, 0.0004679700000000 ] - [ -0.0002196200000000, 0.0001744400000000, -0.0004402200000000 ] - [ 0.0006484600000000, -0.0001484300000000, 0.0004480800000000 ] - [ -0.0005415100000000, -0.0001246200000000, -0.0005816100000000 ] - [ 0.0003401900000000, -0.0000098700000000, 0.0005987000000000 ] - [ 0.0001031200000000, -0.0000566000000000, -0.0001727700000000 ] - [ -0.0001690300000000, -0.0000062000000000, 0.0001972900000000 ] - [ -0.0003640300000000, -0.0001583100000000, -0.0001466300000000 ] - [ -0.0000336000000000, -0.0001297800000000, 0.0003868500000000 ] - [ 0.0005135100000000, -0.0001431400000000, -0.0002411700000000 ] - [ 0.0029055000000000, 0.0005938500000000, 0.0000218100000000 ] - [ 0.0000766000000000, -0.0001583100000000, -0.0005308000000000 ] - [ -0.0000512500000000, 0.0000261700000000, 0.0002375800000000 ] - [ -0.0003277400000000, 0.0001136600000000, -0.0002099700000000 ] - [ 0.0005606400000000, -0.0000600000000000, 0.0001495000000000 ] - [ 0.0002243200000000, 0.0000947200000000, -0.0001464500000000 ] - [ -0.0001064500000000, 0.0000761100000000, -0.0001217500000000 ] - [ -0.0004245500000000, -0.0001284600000000, 0.0002265900000000 ] - [ -0.0003506400000000, 0.0003256300000000, 0.0008074800000000 ] - [ -0.0001742000000000, -0.0001040200000000, -0.0004505100000000 ] - [ 0.0002933900000000, -0.0001903300000000, -0.0000233600000000 ] - [ 0.0003749100000000, 0.0000147400000000, 0.0000029200000000 ] - [ 0.0000003300000000, 0.0003974000000000, 0.0001764800000000 ] - [ -0.0003987800000000, -0.0014995900000000, -0.0016363800000000 ] - [ 0.0007508900000000, -0.0004694400000000, 0.0004160100000000 ] - [ 0.0001305300000000, 0.0001318300000000, -0.0005560200000000 ] - [ 0.0003364600000000, -0.0002019700000000, -0.0002489400000000 ] - [ 0.0000909900000000, -0.0001532300000000, -0.0001371300000000 ] - [ -0.0002362500000000, -0.0000228400000000, 0.0010354800000000 ] - [ -0.0001266300000000, -0.0000889300000000, -0.0002865000000000 ] - [ 0.0010003300000000, -0.0010682600000000, 0.0007716500000000 ] - [ 0.0001985400000000, -0.0001908400000000, -0.0001272600000000 ] - [ -0.0001040500000000, -0.0002530700000000, -0.0001779700000000 ] - [ -0.0003215100000000, -0.0002059100000000, -0.0000179900000000 ] - [ -0.0001089900000000, 0.0005317100000000, 0.0002645800000000 ] - [ 0.0000672400000000, 0.0005675100000000, -0.0001865200000000 ] - [ 0.0004219200000000, -0.0002321500000000, 0.0001574800000000 ] - [ -0.0001027500000000, -0.0005955400000000, -0.0001939200000000 ] - [ 0.0000426300000000, 0.0001862600000000, 0.0002573400000000 ] - [ 0.0009530600000000, 0.0004698800000000, -0.0001683300000000 ] - [ -0.0000026900000000, 0.0000479400000000, 0.0004176800000000 ] - [ -0.0003030300000000, 0.0002081400000000, -0.0004703100000000 ] - [ 0.0425003300000000, -0.0277225000000000, -0.0439455800000000 ] - [ -0.0004648100000000, -0.0001364700000000, 0.0009970900000000 ] - [ -0.0018134200000000, 0.0032269700000000, 0.0011277300000000 ] - [ 0.0012524700000000, 0.0004415700000000, 0.0006806200000000 ] - [ 0.0007723500000000, 0.0003192500000000, -0.0012161900000000 ] - [ 0.0000321900000000, -0.0002025200000000, 0.0002223300000000 ] - [ 0.0001774900000000, 0.0004886800000000, -0.0001924400000000 ] - [ -0.0004504700000000, -0.0002303700000000, 0.0003598400000000 ] - [ -0.0004367200000000, 0.0002161100000000, 0.0000090700000000 ] - [ 0.0001841800000000, -0.0002708100000000, 0.0005093200000000 ] - [ -0.0034066800000000, 0.0014347500000000, 0.0013226600000000 ] - [ -0.0011600400000000, -0.0012360400000000, 0.0006056500000000 ] - [ 0.0000943200000000, 0.0003385100000000, -0.0004439000000000 ] - [ -0.0002964700000000, 0.0003401500000000, 0.0004565400000000 ] - [ 0.0003172500000000, 0.0004471400000000, -0.0001834500000000 ] - [ 0.0000053600000000, 0.0003436700000000, 0.0001233300000000 ] - [ -0.0004876300000000, 0.0003612900000000, -0.0005369900000000 ] - [ -0.0001152500000000, 0.0000782900000000, 0.0002288300000000 ] - [ 0.0002256300000000, 0.0001487800000000, -0.0003176900000000 ] - [ 0.0000067000000000, 0.0001811500000000, 0.0000903400000000 ] - [ -0.0005941200000000, -0.0011846900000000, -0.0013869900000000 ] - [ 0.0004187100000000, 0.0000749600000000, 0.0003712900000000 ] - [ -0.0006595500000000, -0.0001830400000000, -0.0002269100000000 ] - [ -0.0001059600000000, -0.0000696400000000, 0.0002193100000000 ] - [ -0.0003795300000000, 0.0005147600000000, -0.0023760700000000 ] - [ 0.0001558500000000, -0.0003133900000000, 0.0003634600000000 ] - [ -0.0003203500000000, -0.0001232400000000, -0.0003432300000000 ] - [ -0.0002817700000000, -0.0002514300000000, 0.0001264500000000 ] - [ -0.0007085700000000, 0.0002058500000000, -0.0004604800000000 ] - [ 0.0000225600000000, 0.0004456300000000, 0.0004390800000000 ] - [ -0.0009334100000000, 0.0007961300000000, 0.0000736300000000 ] - [ 0.0010344100000000, 0.0012829700000000, 0.0006209400000000 ] - [ -0.0019619400000000, -0.0004388300000000, -0.0041089000000000 ] - [ -0.0000867700000000, -0.0001279500000000, 0.0010098800000000 ] - [ -0.0007377100000000, -0.0000227900000000, -0.0005806300000000 ] - [ -0.0001529800000000, 0.0000750100000000, 0.0000230400000000 ] - [ -0.0005228200000000, -0.0000621300000000, -0.0004157100000000 ] - [ -0.0001277000000000, -0.0001906100000000, 0.0000222400000000 ] - [ -0.0003591200000000, 0.0005581300000000, 0.0003767700000000 ] - [ 0.0004081900000000, -0.0005260400000000, 0.0004748100000000 ] - [ 0.0017587300000000, 0.0047215200000000, -0.0047967800000000 ] - [ 0.0000897400000000, 0.0001600200000000, 0.0006790600000000 ] - [ -0.0008467000000000, -0.0009249900000000, 0.0001873500000000 ] - [ 0.0001837500000000, 0.0001610300000000, 0.0005508900000000 ] - [ -0.0004353500000000, -0.0002706800000000, -0.0015521700000000 ] - [ -0.0001550200000000, -0.0000837100000000, 0.0010816500000000 ] - [ 0.0031941000000000, -0.0011918600000000, -0.0124269100000000 ] - [ 0.0003514300000000, -0.0003884400000000, 0.0015565500000000 ] - [ -0.0000313000000000, 0.0003746100000000, -0.0001160600000000 ] - [ 0.0002944100000000, -0.0000152000000000, 0.0004310500000000 ] - [ -0.0000289300000000, 0.0004905700000000, -0.0005378900000000 ] - [ -0.0002931600000000, 0.0001993400000000, 0.0000864900000000 ] - [ 0.0005026400000000, -0.0018292900000000, -0.0029582700000000 ] - [ -0.0004406600000000, -0.0002051100000000, 0.0008865200000000 ] - [ 0.0006326700000000, -0.0002058200000000, -0.0007447800000000 ] - [ -0.0002355700000000, 0.0003652700000000, 0.0006761200000000 ] - [ -0.0003469800000000, 0.0000629200000000, -0.0005204200000000 ] - [ 0.0003123400000000, -0.0000921000000000, 0.0000791500000000 ] - [ 0.0013471200000000, 0.0007157200000000, 0.0000049000000000 ] - [ -0.0003482000000000, -0.0003393000000000, 0.0006079600000000 ] - [ -0.0001284100000000, 0.0000635600000000, -0.0000746000000000 ] - [ 0.0001400200000000, 0.0003203900000000, 0.0007219800000000 ] - [ 0.0000104100000000, 0.0001279900000000, -0.0003372700000000 ] - [ 0.0001173000000000, 0.0001071100000000, -0.0000664200000000 ]- atom: 21 displacement: [ 0.0099999386121055, 0.0000000000000000, -0.0000350393225009 ] forces: - [ 0.0002200400000000, -0.0002637300000000, 0.0001808700000000 ] - [ 0.0001153700000000, -0.0000793300000000, 0.0000656600000000 ] - [ 0.0000410000000000, 0.0001073400000000, 0.0001299100000000 ] - [ 0.0001219000000000, 0.0001662200000000, -0.0000303200000000 ] - [ -0.0001985000000000, 0.0000048800000000, 0.0001094700000000 ] - [ 0.0000472000000000, -0.0000057300000000, -0.0000954400000000 ] - [ 0.0002033300000000, -0.0000124800000000, 0.0000996800000000 ] - [ 0.0003377900000000, 0.0004798900000000, -0.0005437400000000 ] - [ 0.0002574300000000, -0.0013180000000000, 0.0002476700000000 ] - [ 0.0004159200000000, -0.0002257700000000, -0.0002520800000000 ] - [ 0.0001961600000000, -0.0001882300000000, 0.0000473700000000 ] - [ -0.0001359500000000, 0.0000769900000000, 0.0000792000000000 ] - [ 0.0005500200000000, 0.0001494600000000, 0.0000468400000000 ] - [ 0.0006792600000000, 0.0000005700000000, -0.0001519000000000 ] - [ 0.0027156600000000, 0.0040090800000000, -0.0023172400000000 ] - [ -0.0002899900000000, 0.0001152500000000, -0.0000058800000000 ] - [ -0.0007641700000000, -0.0008867300000000, 0.0015543100000000 ] - [ 0.0004677900000000, -0.0007847400000000, -0.0019328800000000 ] - [ 0.0004109300000000, -0.0000836800000000, 0.0001967800000000 ] - [ 0.0011447900000000, -0.0001487800000000, -0.0002429800000000 ] - [ -0.0582500600000000, -0.0258712800000000, -0.0211842900000000 ] - [ -0.0004435800000000, -0.0000548400000000, -0.0000933900000000 ] - [ 0.0007142900000000, 0.0000440400000000, -0.0003259400000000 ] - [ 0.0014082300000000, -0.0001011100000000, 0.0011612800000000 ] - [ 0.0002665800000000, -0.0000950500000000, -0.0000585700000000 ] - [ 0.0008196000000000, -0.0002215100000000, -0.0000589400000000 ] - [ -0.0010822500000000, -0.0003991100000000, -0.0000663500000000 ] - [ -0.0010896200000000, 0.0003994700000000, -0.0007169400000000 ] - [ 0.0004276100000000, 0.0002207200000000, 0.0002907000000000 ] - [ 0.0003822200000000, -0.0001126500000000, -0.0000393700000000 ] - [ 0.0008456100000000, 0.0006764500000000, -0.0001650600000000 ] - [ -0.0001871300000000, -0.0001434900000000, -0.0000028000000000 ] - [ 0.0002536900000000, 0.0006820500000000, 0.0006395900000000 ] - [ 0.0007219400000000, 0.0008465600000000, -0.0005215300000000 ] - [ 0.0010694400000000, -0.0012764900000000, 0.0004597000000000 ] - [ 0.0003427500000000, -0.0006169900000000, -0.0001110700000000 ] - [ 0.0003082100000000, 0.0001777300000000, 0.0002139400000000 ] - [ 0.0006655600000000, -0.0007100000000000, 0.0001265100000000 ] - [ -0.0000444200000000, -0.0000758600000000, 0.0001723700000000 ] - [ 0.0000413900000000, 0.0000595400000000, -0.0001155800000000 ] - [ 0.0027106400000000, -0.0018721900000000, -0.0009906400000000 ] - [ -0.0002457200000000, -0.0001353100000000, -0.0000273300000000 ] - [ -0.0000435500000000, -0.0000381900000000, -0.0001788000000000 ] - [ 0.0041330600000000, 0.0018680500000000, 0.0055751800000000 ] - [ -0.0003663000000000, 0.0000233600000000, -0.0008936000000000 ] - [ -0.0025072200000000, -0.0004926400000000, 0.0000515500000000 ] - [ 0.0005656300000000, -0.0000936700000000, -0.0000208300000000 ] - [ 0.0010947700000000, 0.0000837000000000, 0.0003659100000000 ] - [ 0.0008392800000000, -0.0003652800000000, -0.0000757600000000 ] - [ 0.0003519800000000, 0.0000396900000000, 0.0001464800000000 ] - [ -0.0012834200000000, 0.0001160000000000, -0.0002487900000000 ] - [ -0.0005830100000000, 0.0002340200000000, -0.0001885700000000 ] - [ 0.0000150900000000, 0.0005007800000000, -0.0002715000000000 ] - [ -0.0001444600000000, 0.0002237000000000, 0.0000929200000000 ] - [ 0.0013995300000000, 0.0011944000000000, -0.0001096700000000 ] - [ -0.0001412000000000, 0.0001798500000000, 0.0000964800000000 ] - [ -0.0000396100000000, -0.0001639000000000, -0.0000926300000000 ] - [ -0.0001849900000000, -0.0000991000000000, 0.0001220100000000 ] - [ 0.0001371900000000, -0.0000608600000000, -0.0001109800000000 ] - [ -0.0000736300000000, -0.0000998400000000, -0.0000511000000000 ] - [ 0.0004166200000000, 0.0004765600000000, 0.0003320400000000 ] - [ -0.0000532600000000, 0.0001330300000000, 0.0003183000000000 ] - [ -0.0000735200000000, 0.0001067700000000, -0.0001593400000000 ] - [ 0.0001073800000000, 0.0002288100000000, -0.0004374600000000 ] - [ 0.0000577400000000, -0.0001353000000000, -0.0002665000000000 ] - [ -0.0001715900000000, -0.0001981000000000, -0.0004279300000000 ] - [ 0.0000793400000000, -0.0001407800000000, 0.0003180800000000 ] - [ 0.0000843500000000, -0.0000677200000000, 0.0003135600000000 ] - [ 0.0005451000000000, -0.0000758500000000, -0.0001529100000000 ] - [ -0.0001109500000000, 0.0003688800000000, 0.0004046900000000 ] - [ 0.0039399500000000, 0.0057466000000000, 0.0033137400000000 ] - [ -0.0002497400000000, -0.0002145800000000, -0.0001898600000000 ] - [ 0.0000582500000000, 0.0006883800000000, -0.0001226300000000 ] - [ -0.0004886100000000, 0.0010714200000000, 0.0007192700000000 ] - [ -0.0001262100000000, -0.0005563500000000, -0.0000914100000000 ] - [ -0.0001166700000000, -0.0005885700000000, 0.0000532100000000 ] - [ 0.0001798400000000, 0.0001464900000000, 0.0001025300000000 ] - [ 0.0000797800000000, -0.0002834900000000, 0.0000794600000000 ] - [ -0.0003902900000000, -0.0000703900000000, -0.0003496700000000 ] - [ -0.0004367400000000, 0.0001413300000000, -0.0000354100000000 ] - [ -0.0005141400000000, 0.0000585400000000, -0.0000675200000000 ] - [ -0.0007968600000000, -0.0001825400000000, 0.0004671600000000 ] - [ 0.0003227000000000, -0.0000723600000000, -0.0002605100000000 ] - [ -0.0010603200000000, -0.0005511200000000, 0.0016336900000000 ] - [ -0.0002802900000000, 0.0009427500000000, -0.0012404700000000 ] - [ -0.0007050600000000, 0.0004530900000000, 0.0002523400000000 ] - [ -0.0012779200000000, 0.0004016000000000, 0.0004258600000000 ] - [ -0.0004378100000000, -0.0000259500000000, -0.0000315700000000 ] - [ 0.0003993900000000, -0.0005088000000000, -0.0001827600000000 ] - [ -0.0001204800000000, -0.0005030700000000, 0.0001832800000000 ] - [ -0.0002557500000000, -0.0003363400000000, -0.0000987900000000 ] - [ -0.0006688300000000, -0.0006798200000000, 0.0003174600000000 ] - [ -0.0004544200000000, 0.0003935700000000, -0.0000851300000000 ] - [ -0.0004575800000000, 0.0003651900000000, 0.0000335300000000 ] - [ 0.0001771500000000, 0.0008856600000000, 0.0002384100000000 ] - [ 0.0000672200000000, 0.0004176900000000, 0.0000214400000000 ] - [ -0.0001989900000000, -0.0002326800000000, 0.0003106400000000 ] - [ 0.0005394900000000, 0.0001962700000000, 0.0000628700000000 ] - [ 0.0000978000000000, 0.0001086100000000, -0.0000438300000000 ] - [ -0.0014103600000000, -0.0013411100000000, -0.0027842700000000 ] - [ 0.0001492600000000, 0.0001351300000000, 0.0001082800000000 ] - [ 0.0002337900000000, -0.0000381600000000, -0.0001270800000000 ] - [ 0.0002463200000000, -0.0000011200000000, 0.0004104800000000 ] - [ 0.0000410800000000, -0.0001831800000000, 0.0001394400000000 ] - [ -0.0001620600000000, -0.0001056500000000, 0.0001786800000000 ] - [ -0.0011908500000000, -0.0029307600000000, -0.0015555100000000 ] - [ -0.0001409500000000, 0.0000103200000000, 0.0003500500000000 ] - [ 0.0265801700000000, 0.0179233100000000, 0.0237754900000000 ] - [ 0.0010496400000000, 0.0013326900000000, 0.0011375500000000 ] - [ 0.0006173400000000, -0.0000141200000000, 0.0003315800000000 ] - [ -0.0006764900000000, 0.0013735200000000, -0.0010307000000000 ] - [ 0.0001533100000000, 0.0002646500000000, -0.0001594600000000 ] - [ -0.0001642400000000, 0.0001677100000000, 0.0003776900000000 ] - [ -0.0004242900000000, 0.0011277900000000, -0.0001166300000000 ] - [ -0.0000429100000000, 0.0000800300000000, -0.0000149600000000 ] - [ 0.0026295000000000, -0.0023579300000000, 0.0021996800000000 ] - [ 0.0051114400000000, 0.0031994200000000, -0.0033266200000000 ] - [ 0.0005564000000000, 0.0002045000000000, -0.0001529400000000 ] - [ -0.0012863900000000, 0.0000334200000000, 0.0003715800000000 ] - [ 0.0002402100000000, -0.0000930000000000, -0.0002469700000000 ] - [ -0.0003171300000000, -0.0000854200000000, -0.0005844900000000 ] - [ -0.0007557100000000, 0.0000052900000000, -0.0000608800000000 ] - [ 0.0002405200000000, -0.0000713700000000, -0.0000004800000000 ] - [ 0.0113346300000000, -0.0003531100000000, -0.0043292800000000 ] - [ 0.0008072800000000, 0.0000525400000000, -0.0001179200000000 ] - [ -0.0001721100000000, -0.0001820500000000, 0.0005981500000000 ] - [ -0.0007524200000000, 0.0000443400000000, -0.0002424900000000 ] - [ -0.0001762400000000, 0.0002950100000000, -0.0005884700000000 ] - [ 0.0006031800000000, 0.0002791700000000, -0.0000567800000000 ] - [ 0.0004803900000000, 0.0002542600000000, 0.0004010400000000 ] - [ -0.0003584500000000, 0.0000692100000000, -0.0003793700000000 ] - [ -0.0010405600000000, 0.0001749100000000, -0.0001834800000000 ] - [ -0.0005786800000000, -0.0001125100000000, -0.0003550400000000 ] - [ -0.0003879400000000, -0.0001073900000000, -0.0002272200000000 ] - [ 0.0006505700000000, -0.0007055200000000, 0.0001005900000000 ] - [ 0.0002391500000000, -0.0000946700000000, 0.0002210200000000 ] - [ 0.0003753600000000, -0.0001289600000000, -0.0000740300000000 ] - [ 0.0005832400000000, -0.0002130600000000, -0.0001132800000000 ] - [ -0.0002915200000000, -0.0000778300000000, 0.0001331300000000 ] - [ -0.0003682900000000, -0.0003682700000000, 0.0000239500000000 ] - [ -0.0006205900000000, -0.0001314000000000, 0.0004772300000000 ] - [ -0.0003605300000000, -0.0001671600000000, -0.0001041900000000 ] - [ 0.0013424900000000, -0.0006004000000000, 0.0000473000000000 ] - [ 0.0003672900000000, -0.0000537200000000, -0.0000880800000000 ]- atom: 21 displacement: [ -0.0099999386121055, 0.0000000000000000, 0.0000350393225009 ] forces: - [ -0.0002274200000000, 0.0001693200000000, -0.0001846600000000 ] - [ -0.0001114900000000, -0.0000189500000000, -0.0000616100000000 ] - [ -0.0000464000000000, -0.0000105900000000, -0.0001338200000000 ] - [ -0.0001272500000000, -0.0000667100000000, 0.0000254000000000 ] - [ -0.0005224500000000, -0.0001794300000000, -0.0001363900000000 ] - [ -0.0007700800000000, -0.0001746600000000, 0.0000601800000000 ] - [ 0.0005282900000000, -0.0001636100000000, -0.0000664600000000 ] - [ 0.0003851400000000, -0.0006515800000000, 0.0005694000000000 ] - [ 0.0004728000000000, 0.0014895600000000, -0.0002149300000000 ] - [ 0.0003113400000000, 0.0004043900000000, 0.0002847700000000 ] - [ -0.0009176100000000, 0.0003606700000000, -0.0000730200000000 ] - [ -0.0005896600000000, 0.0000986600000000, -0.0001082400000000 ] - [ -0.0000975200000000, 0.0000510700000000, -0.0000941100000000 ] - [ -0.0002331200000000, 0.0002049200000000, 0.0001104600000000 ] - [ -0.0031432000000000, -0.0037703200000000, 0.0023432600000000 ] - [ -0.0001522600000000, 0.0000930300000000, 0.0000412700000000 ] - [ 0.0003135700000000, 0.0006794300000000, -0.0015089400000000 ] - [ -0.0009079200000000, 0.0005751100000000, 0.0019576200000000 ] - [ 0.0000415000000000, -0.0001186100000000, -0.0002390400000000 ] - [ -0.0006894000000000, -0.0000520500000000, 0.0001953100000000 ] - [ 0.0577552800000000, 0.0268455600000000, 0.0224762900000000 ] - [ 0.0000845500000000, 0.0002156000000000, 0.0004440700000000 ] - [ -0.0003516600000000, 0.0001156200000000, -0.0000221000000000 ] - [ -0.0010481600000000, 0.0002626000000000, -0.0015117800000000 ] - [ 0.0000968200000000, -0.0000643400000000, -0.0002882300000000 ] - [ -0.0004555900000000, 0.0000621700000000, -0.0002890500000000 ] - [ 0.0007281100000000, 0.0002326700000000, 0.0004104800000000 ] - [ 0.0007254000000000, -0.0005595200000000, 0.0010741900000000 ] - [ 0.0000538300000000, -0.0006033900000000, -0.0000582400000000 ] - [ 0.0001039400000000, -0.0002757300000000, 0.0002742500000000 ] - [ -0.0013232900000000, -0.0010597600000000, -0.0000613000000000 ] - [ -0.0003018400000000, -0.0002470900000000, -0.0002305600000000 ] - [ -0.0002586500000000, 0.0005140700000000, -0.0006305200000000 ] - [ -0.0007164900000000, 0.0003486600000000, 0.0005161100000000 ] - [ -0.0010702800000000, 0.0000732500000000, -0.0004537700000000 ] - [ -0.0003436000000000, -0.0005782900000000, 0.0001119600000000 ] - [ 0.0001771600000000, 0.0002111900000000, 0.0000127400000000 ] - [ -0.0001873500000000, 0.0010860100000000, 0.0001092800000000 ] - [ -0.0004422600000000, 0.0004643100000000, -0.0004060200000000 ] - [ -0.0005258800000000, 0.0003291400000000, -0.0001211700000000 ] - [ -0.0027532300000000, 0.0017864300000000, 0.0009998400000000 ] - [ 0.0002406800000000, 0.0000354000000000, 0.0000244200000000 ] - [ 0.0000374800000000, 0.0001401600000000, 0.0001733300000000 ] - [ -0.0041505100000000, -0.0017601200000000, -0.0056126500000000 ] - [ -0.0003553900000000, -0.0002011700000000, 0.0008665900000000 ] - [ 0.0017898800000000, 0.0003395200000000, -0.0000577900000000 ] - [ 0.0001659400000000, -0.0000835200000000, 0.0000521600000000 ] - [ -0.0003597400000000, -0.0002609100000000, -0.0003339700000000 ] - [ -0.0001052000000000, 0.0005462300000000, 0.0001091300000000 ] - [ 0.0003828400000000, 0.0001404000000000, -0.0001106600000000 ] - [ 0.0005747900000000, 0.0000442000000000, 0.0002150300000000 ] - [ -0.0001392000000000, -0.0000571600000000, 0.0001609600000000 ] - [ 0.0004355000000000, -0.0002993900000000, 0.0002249900000000 ] - [ 0.0005960600000000, -0.0000195000000000, -0.0001343600000000 ] - [ -0.0018438600000000, -0.0009907400000000, 0.0001476300000000 ] - [ -0.0003025700000000, 0.0000252000000000, -0.0000565100000000 ] - [ -0.0004001100000000, -0.0000447700000000, 0.0001283500000000 ] - [ -0.0002536600000000, -0.0001097100000000, -0.0000866600000000 ] - [ 0.0003146900000000, -0.0001392500000000, 0.0000652400000000 ] - [ 0.0005262900000000, -0.0001061900000000, 0.0000034400000000 ] - [ -0.0007676600000000, -0.0003101300000000, 0.0000231500000000 ] - [ -0.0003029200000000, 0.0000300500000000, 0.0000364500000000 ] - [ 0.0004307100000000, 0.0000549500000000, -0.0001907900000000 ] - [ 0.0002483800000000, -0.0000643000000000, 0.0000831300000000 ] - [ 0.0002963600000000, -0.0000325500000000, -0.0000892100000000 ] - [ 0.0005297100000000, 0.0000385700000000, 0.0000788900000000 ] - [ -0.0004377300000000, -0.0000197800000000, 0.0000329700000000 ] - [ -0.0004383300000000, -0.0000956100000000, 0.0000419300000000 ] - [ -0.0000599100000000, -0.0003083000000000, 0.0003822900000000 ] - [ 0.0005933500000000, -0.0007552200000000, -0.0001727500000000 ] - [ -0.0044571000000000, -0.0061937800000000, -0.0035546600000000 ] - [ -0.0002387200000000, -0.0001782000000000, -0.0000395400000000 ] - [ -0.0000630500000000, 0.0005062500000000, 0.0001256400000000 ] - [ 0.0004835100000000, 0.0001242000000000, -0.0007171400000000 ] - [ 0.0001207900000000, -0.0006398900000000, 0.0000964000000000 ] - [ 0.0001078800000000, -0.0006071700000000, -0.0000453900000000 ] - [ 0.0002995400000000, 0.0002380400000000, 0.0001270700000000 ] - [ 0.0004044600000000, 0.0006662300000000, 0.0001484500000000 ] - [ -0.0000990000000000, 0.0004664900000000, 0.0001175400000000 ] - [ -0.0000493600000000, 0.0002486400000000, -0.0001888400000000 ] - [ 0.0001882400000000, 0.0001402600000000, 0.0002067000000000 ] - [ 0.0004737300000000, 0.0003841800000000, -0.0003280800000000 ] - [ -0.0000000600000000, 0.0002703500000000, 0.0001214800000000 ] - [ 0.0013840000000000, 0.0007559100000000, -0.0017659300000000 ] - [ 0.0006054500000000, -0.0011359400000000, 0.0010965500000000 ] - [ 0.0010159700000000, -0.0006525600000000, -0.0003859100000000 ] - [ 0.0009497200000000, -0.0005978300000000, -0.0002862900000000 ] - [ 0.0001173100000000, -0.0001748500000000, 0.0001676700000000 ] - [ -0.0000794400000000, -0.0000563500000000, 0.0000915700000000 ] - [ 0.0004374600000000, -0.0000599600000000, -0.0002743300000000 ] - [ -0.0000621400000000, -0.0002282800000000, 0.0001916900000000 ] - [ 0.0003502800000000, 0.0001134300000000, -0.0002209200000000 ] - [ 0.0001387500000000, 0.0001715600000000, 0.0001784100000000 ] - [ 0.0001381600000000, 0.0001985400000000, 0.0000581200000000 ] - [ 0.0001459800000000, -0.0003206100000000, -0.0003328300000000 ] - [ 0.0002480500000000, 0.0001473500000000, -0.0001142100000000 ] - [ -0.0001215100000000, 0.0004341900000000, -0.0001728300000000 ] - [ -0.0008747900000000, -0.0000025900000000, 0.0000688800000000 ] - [ 0.0002209600000000, 0.0000932900000000, -0.0000924700000000 ] - [ 0.0017303000000000, 0.0015351400000000, 0.0026532300000000 ] - [ 0.0001679100000000, -0.0003360800000000, -0.0002446600000000 ] - [ 0.0000819800000000, -0.0001591100000000, -0.0000105000000000 ] - [ -0.0005753000000000, -0.0001942200000000, -0.0002785800000000 ] - [ -0.0003612900000000, -0.0000171700000000, -0.0000016800000000 ] - [ 0.0004778700000000, -0.0004564600000000, -0.0002718600000000 ] - [ 0.0015036500000000, 0.0023640800000000, 0.0014540100000000 ] - [ -0.0001733100000000, -0.0005760300000000, -0.0002545100000000 ] - [ -0.0271539500000000, -0.0191433100000000, -0.0244734900000000 ] - [ -0.0013829600000000, -0.0007646400000000, -0.0010341000000000 ] - [ -0.0009319800000000, 0.0005764500000000, -0.0002377600000000 ] - [ 0.0009909300000000, -0.0008150300000000, 0.0009428900000000 ] - [ 0.0001634200000000, 0.0002989800000000, 0.0000651000000000 ] - [ 0.0005369800000000, -0.0000469500000000, -0.0000306200000000 ] - [ 0.0007949300000000, -0.0010059700000000, 0.0004636300000000 ] - [ -0.0003303000000000, 0.0000432200000000, -0.0003319500000000 ] - [ -0.0029644200000000, 0.0024617800000000, -0.0025425700000000 ] - [ -0.0055258200000000, -0.0034059800000000, 0.0031012900000000 ] - [ -0.0009238200000000, -0.0003271600000000, -0.0001980700000000 ] - [ 0.0016574800000000, -0.0001553600000000, -0.0000233800000000 ] - [ 0.0001313500000000, -0.0000290100000000, 0.0005941700000000 ] - [ 0.0006128900000000, -0.0000003300000000, 0.0002235700000000 ] - [ 0.0010474600000000, -0.0000905600000000, -0.0002979500000000 ] - [ -0.0005340000000000, -0.0000149800000000, 0.0003594700000000 ] - [ -0.0112202200000000, 0.0001859200000000, 0.0043979700000000 ] - [ -0.0010734000000000, 0.0000622300000000, 0.0005173400000000 ] - [ -0.0001206100000000, 0.0002655400000000, -0.0002356500000000 ] - [ 0.0010453700000000, 0.0000412300000000, -0.0001174200000000 ] - [ 0.0004684600000000, -0.0002099300000000, 0.0002285700000000 ] - [ -0.0002291000000000, -0.0001559200000000, 0.0004045300000000 ] - [ -0.0001029600000000, -0.0001297700000000, -0.0000509900000000 ] - [ -0.0000130400000000, 0.0000553300000000, 0.0000326100000000 ] - [ 0.0006665100000000, -0.0000525300000000, -0.0001644800000000 ] - [ 0.0002040000000000, -0.0000110300000000, 0.0000048900000000 ] - [ 0.0000132500000000, -0.0000178800000000, -0.0001206400000000 ] - [ -0.0002724300000000, 0.0005801000000000, 0.0002466500000000 ] - [ 0.0001341400000000, -0.0000282900000000, 0.0001258000000000 ] - [ -0.0000801800000000, 0.0000452500000000, -0.0002814500000000 ] - [ -0.0002858200000000, 0.0001287400000000, -0.0002463700000000 ] - [ -0.0000062600000000, -0.0000079800000000, 0.0002261600000000 ] - [ 0.0000652400000000, 0.0002851900000000, 0.0003324200000000 ] - [ 0.0003224500000000, 0.0002174300000000, -0.0001191700000000 ] - [ 0.0000648600000000, 0.0002527500000000, 0.0004631100000000 ] - [ -0.0010474000000000, 0.0006871400000000, -0.0004042900000000 ] - [ -0.0000674400000000, 0.0001391000000000, -0.0002697100000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004351900000000, 0.0005289800000000, -0.0001497700000000 ] - [ 0.0000134200000000, 0.0000627400000000, 0.0000380600000000 ] - [ 0.0000182500000000, 0.0002755800000000, 0.0000609200000000 ] - [ 0.0000486100000000, 0.0004303400000000, -0.0000532000000000 ] - [ -0.0002722700000000, 0.0000267900000000, 0.0000660500000000 ] - [ -0.0002355400000000, 0.0000040500000000, -0.0000956600000000 ] - [ 0.0003365400000000, 0.0000478400000000, 0.0001522400000000 ] - [ 0.0005871700000000, 0.0006070300000000, -0.0005927900000000 ] - [ -0.0010614600000000, 0.0018772500000000, -0.0003797200000000 ] - [ 0.0002399200000000, 0.0001371000000000, 0.0000787000000000 ] - [ -0.0002919600000000, 0.0000249200000000, -0.0000897300000000 ] - [ -0.0003047300000000, 0.0000721500000000, 0.0000695900000000 ] - [ 0.0003553000000000, 0.0000334500000000, 0.0000401300000000 ] - [ 0.0003456200000000, 0.0000458700000000, -0.0001445900000000 ] - [ 0.0040189300000000, 0.0023687000000000, -0.0023707800000000 ] - [ -0.0002286600000000, 0.0000735700000000, 0.0001003400000000 ] - [ -0.0004533800000000, -0.0011399500000000, -0.0000459700000000 ] - [ -0.0004542600000000, -0.0002700900000000, 0.0002396500000000 ] - [ 0.0002349100000000, -0.0002250300000000, 0.0000452400000000 ] - [ 0.0003103300000000, -0.0003045300000000, -0.0000403100000000 ] - [ -0.0262705300000000, -0.0567717400000000, -0.0226656800000000 ] - [ -0.0003111300000000, -0.0002016100000000, 0.0002269700000000 ] - [ 0.0002153200000000, -0.0001955600000000, -0.0001540700000000 ] - [ 0.0003642900000000, -0.0003637200000000, 0.0000390800000000 ] - [ 0.0001639500000000, -0.0002297000000000, -0.0001734900000000 ] - [ 0.0000351000000000, -0.0004605200000000, -0.0003770300000000 ] - [ -0.0006594700000000, -0.0007548800000000, 0.0009276100000000 ] - [ 0.0001358200000000, -0.0007597100000000, -0.0008982500000000 ] - [ 0.0004647200000000, 0.0002698900000000, 0.0002544000000000 ] - [ 0.0003096500000000, -0.0000771200000000, -0.0000196000000000 ] - [ 0.0007139500000000, 0.0007978300000000, -0.0002096700000000 ] - [ -0.0001902900000000, -0.0000872800000000, -0.0000266200000000 ] - [ 0.0002603100000000, 0.0006346900000000, 0.0005979600000000 ] - [ 0.0004456000000000, 0.0005333500000000, -0.0003980100000000 ] - [ 0.0000376900000000, -0.0011347600000000, -0.0002062400000000 ] - [ -0.0000395500000000, -0.0006773600000000, 0.0000804300000000 ] - [ 0.0002172700000000, 0.0001649300000000, 0.0001579100000000 ] - [ -0.0000766500000000, 0.0001225500000000, 0.0001348500000000 ] - [ -0.0004163600000000, 0.0000987300000000, -0.0003407300000000 ] - [ -0.0002723100000000, 0.0001884400000000, -0.0000581900000000 ] - [ -0.0013152300000000, -0.0005370600000000, 0.0003037700000000 ] - [ -0.0001006900000000, -0.0003447800000000, -0.0001570500000000 ] - [ 0.0000054500000000, -0.0002622100000000, 0.0000016100000000 ] - [ -0.0000025700000000, -0.0017003300000000, -0.0000160900000000 ] - [ -0.0003612400000000, -0.0000621000000000, -0.0006374300000000 ] - [ 0.0014989600000000, 0.0045055200000000, 0.0062061500000000 ] - [ 0.0004882900000000, -0.0001729700000000, -0.0000114900000000 ] - [ 0.0008821200000000, -0.0005381700000000, 0.0005444100000000 ] - [ 0.0001514200000000, 0.0001555000000000, 0.0001157600000000 ] - [ 0.0001024600000000, 0.0000234600000000, -0.0001848800000000 ] - [ -0.0017621000000000, 0.0020991100000000, 0.0005169000000000 ] - [ -0.0003121400000000, 0.0001977500000000, -0.0002078900000000 ] - [ 0.0003035000000000, 0.0004844800000000, -0.0003270100000000 ] - [ -0.0001165000000000, 0.0016207100000000, 0.0015234600000000 ] - [ 0.0013398400000000, 0.0013631700000000, -0.0001081900000000 ] - [ -0.0001820900000000, 0.0001938000000000, 0.0000865000000000 ] - [ -0.0003455600000000, 0.0000840000000000, 0.0001134700000000 ] - [ -0.0003535600000000, 0.0002422800000000, 0.0000590400000000 ] - [ 0.0002323200000000, 0.0000901100000000, -0.0000341500000000 ] - [ 0.0001224300000000, 0.0013281900000000, 0.0000080500000000 ] - [ 0.0002173800000000, 0.0006353600000000, 0.0003435600000000 ] - [ -0.0001260700000000, 0.0002304800000000, 0.0002509400000000 ] - [ 0.0001550800000000, 0.0005861900000000, -0.0002173500000000 ] - [ 0.0000356500000000, 0.0005230500000000, -0.0004288400000000 ] - [ 0.0001289300000000, 0.0000863500000000, -0.0001741200000000 ] - [ 0.0000609000000000, 0.0005734100000000, -0.0000783200000000 ] - [ -0.0001957800000000, 0.0000743000000000, 0.0000938600000000 ] - [ -0.0001188400000000, 0.0000755400000000, 0.0002532000000000 ] - [ 0.0006473600000000, -0.0002157300000000, -0.0000583300000000 ] - [ 0.0008357100000000, -0.0005538500000000, 0.0006659400000000 ] - [ 0.0053943100000000, 0.0043629600000000, 0.0034504300000000 ] - [ -0.0001949100000000, -0.0002835400000000, -0.0000638900000000 ] - [ 0.0000876700000000, 0.0006885000000000, -0.0000604000000000 ] - [ 0.0002912800000000, 0.0013724200000000, 0.0005233400000000 ] - [ -0.0004860500000000, -0.0000852400000000, 0.0000927900000000 ] - [ 0.0000682700000000, -0.0001866700000000, -0.0002233900000000 ] - [ 0.0002022300000000, 0.0001960900000000, 0.0001231900000000 ] - [ -0.0006789100000000, 0.0004055800000000, 0.0000139600000000 ] - [ -0.0005432100000000, 0.0002725300000000, 0.0000941100000000 ] - [ -0.0011052900000000, 0.0009297900000000, -0.0016869600000000 ] - [ -0.0004786800000000, 0.0000578600000000, -0.0000400800000000 ] - [ -0.0003632100000000, -0.0000903900000000, 0.0002355800000000 ] - [ 0.0002450400000000, -0.0000174900000000, -0.0003074300000000 ] - [ -0.0010493900000000, -0.0004617900000000, 0.0016306700000000 ] - [ 0.0007937800000000, 0.0009043600000000, 0.0008362500000000 ] - [ 0.0002876500000000, -0.0000904900000000, -0.0001306300000000 ] - [ -0.0001133000000000, 0.0001892800000000, 0.0003729000000000 ] - [ -0.0001726800000000, -0.0000388100000000, -0.0000027300000000 ] - [ 0.0002971600000000, -0.0006781100000000, -0.0001248500000000 ] - [ -0.0001523500000000, -0.0008074500000000, 0.0003590900000000 ] - [ -0.0001845200000000, -0.0004480800000000, -0.0000198200000000 ] - [ -0.0004877800000000, -0.0008406200000000, 0.0003311600000000 ] - [ -0.0000048600000000, 0.0002703400000000, 0.0001961900000000 ] - [ -0.0002065700000000, 0.0002016300000000, -0.0000141700000000 ] - [ 0.0009786000000000, -0.0003704200000000, -0.0008976600000000 ] - [ 0.0002618700000000, 0.0002036900000000, -0.0000838800000000 ] - [ -0.0002812700000000, -0.0000623100000000, 0.0002758400000000 ] - [ -0.0026753000000000, -0.0014606600000000, -0.0014427000000000 ] - [ 0.0000755500000000, 0.0001070100000000, -0.0000802300000000 ] - [ -0.0016152700000000, -0.0011860800000000, -0.0028687200000000 ] - [ 0.0004103100000000, -0.0002175100000000, -0.0001555800000000 ] - [ 0.0008179900000000, -0.0008584200000000, 0.0003167100000000 ] - [ 0.0007635100000000, -0.0011665100000000, 0.0006918100000000 ] - [ -0.0001133000000000, -0.0002445200000000, 0.0002132400000000 ] - [ -0.0000402500000000, 0.0001454600000000, 0.0000357300000000 ] - [ 0.0000921200000000, 0.0003038400000000, -0.0001498700000000 ] - [ -0.0002696400000000, 0.0000887600000000, 0.0001225300000000 ] - [ 0.0188334800000000, 0.0242299500000000, 0.0235373700000000 ] - [ 0.0009166500000000, 0.0005619100000000, -0.0011105800000000 ] - [ -0.0001413300000000, 0.0004845300000000, 0.0005571000000000 ] - [ 0.0007784200000000, 0.0004734500000000, 0.0001393600000000 ] - [ 0.0001568700000000, 0.0003810300000000, 0.0000595400000000 ] - [ 0.0002555900000000, 0.0001975200000000, 0.0000471200000000 ] - [ 0.0003394400000000, 0.0005525700000000, 0.0003699600000000 ] - [ -0.0000881100000000, 0.0001419100000000, -0.0003790200000000 ] - [ -0.0007450800000000, 0.0116930400000000, -0.0056774300000000 ] - [ 0.0031260000000000, 0.0038960800000000, -0.0029853500000000 ] - [ 0.0001835200000000, 0.0009790000000000, -0.0009506900000000 ] - [ -0.0005678100000000, 0.0009883400000000, 0.0004616600000000 ] - [ 0.0001420500000000, 0.0001984600000000, -0.0000638600000000 ] - [ 0.0000961100000000, 0.0002253200000000, -0.0002016100000000 ] - [ -0.0000595400000000, 0.0003444000000000, -0.0001671300000000 ] - [ -0.0001025500000000, 0.0002950700000000, 0.0000152700000000 ] - [ -0.0026542900000000, 0.0029892200000000, 0.0025966000000000 ] - [ 0.0000173000000000, 0.0009260600000000, 0.0001147600000000 ] - [ -0.0002818800000000, 0.0002544300000000, 0.0003661500000000 ] - [ -0.0001302600000000, 0.0003915700000000, -0.0002022700000000 ] - [ 0.0000701500000000, 0.0003131900000000, -0.0002932000000000 ] - [ 0.0002259700000000, -0.0001012400000000, 0.0005743600000000 ] - [ 0.0008647800000000, -0.0003167400000000, 0.0000432600000000 ] - [ -0.0002173800000000, -0.0000517900000000, -0.0001565100000000 ] - [ -0.0005459000000000, -0.0000606000000000, -0.0003074500000000 ] - [ -0.0002170100000000, -0.0004099000000000, -0.0002761700000000 ] - [ -0.0001878500000000, -0.0002380400000000, -0.0001836600000000 ] - [ 0.0000055800000000, -0.0011572500000000, 0.0000552400000000 ] - [ 0.0001927700000000, -0.0002558700000000, 0.0001458400000000 ] - [ 0.0001575200000000, -0.0005962700000000, -0.0004162300000000 ] - [ 0.0001019100000000, -0.0011634900000000, 0.0001941600000000 ] - [ -0.0001313700000000, -0.0002427200000000, 0.0001687600000000 ] - [ -0.0000264400000000, -0.0008997800000000, 0.0001951900000000 ] - [ -0.0003150300000000, -0.0003901800000000, 0.0004877800000000 ] - [ -0.0004318600000000, -0.0003394100000000, -0.0001632200000000 ] - [ 0.0003841600000000, -0.0016966600000000, 0.0000674700000000 ] - [ 0.0003304200000000, -0.0002608500000000, -0.0004905900000000 ]- atom: 21 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004344600000000, -0.0006139100000000, 0.0001481700000000 ] - [ -0.0000092200000000, -0.0001499000000000, -0.0000331400000000 ] - [ -0.0000239600000000, -0.0001905700000000, -0.0000674400000000 ] - [ -0.0000547000000000, -0.0003402200000000, 0.0000452100000000 ] - [ -0.0004662300000000, -0.0002116800000000, -0.0000992000000000 ] - [ -0.0005060100000000, -0.0001953300000000, 0.0000561800000000 ] - [ 0.0004076000000000, -0.0002295900000000, -0.0001202100000000 ] - [ 0.0001584300000000, -0.0007896500000000, 0.0006226900000000 ] - [ 0.0018189400000000, -0.0017126200000000, 0.0004182100000000 ] - [ 0.0005022600000000, 0.0000541400000000, -0.0000391000000000 ] - [ -0.0004459000000000, 0.0001557900000000, 0.0000623000000000 ] - [ -0.0004377800000000, 0.0001109500000000, -0.0000998600000000 ] - [ 0.0000859100000000, 0.0001741900000000, -0.0000801800000000 ] - [ 0.0000900300000000, 0.0001651600000000, 0.0001090000000000 ] - [ -0.0044175600000000, -0.0021421400000000, 0.0023861000000000 ] - [ -0.0002090100000000, 0.0001357700000000, -0.0000622000000000 ] - [ 0.0000140000000000, 0.0009295200000000, 0.0000607400000000 ] - [ 0.0000144700000000, 0.0000595600000000, -0.0001936500000000 ] - [ 0.0002039600000000, 0.0000161700000000, -0.0000844900000000 ] - [ 0.0001336200000000, 0.0000993500000000, -0.0000033900000000 ] - [ 0.0266063400000000, 0.0566823800000000, 0.0239837200000000 ] - [ -0.0000483000000000, 0.0003595000000000, 0.0001234500000000 ] - [ 0.0001476500000000, 0.0003528400000000, -0.0001940600000000 ] - [ 0.0000008200000000, 0.0005228700000000, -0.0003838200000000 ] - [ 0.0002015800000000, 0.0000740100000000, -0.0001699000000000 ] - [ 0.0003262600000000, 0.0002985200000000, 0.0000253800000000 ] - [ 0.0002952300000000, 0.0005947500000000, -0.0005783000000000 ] - [ -0.0004907800000000, 0.0005906200000000, 0.0012537100000000 ] - [ 0.0000213900000000, -0.0006530500000000, -0.0000052500000000 ] - [ 0.0001805000000000, -0.0003157900000000, 0.0002685900000000 ] - [ -0.0011999800000000, -0.0011868700000000, -0.0000418300000000 ] - [ -0.0003009200000000, -0.0003054700000000, -0.0002238800000000 ] - [ -0.0002595500000000, 0.0005756600000000, -0.0005907400000000 ] - [ -0.0004451400000000, 0.0006812000000000, 0.0003954600000000 ] - [ -0.0000501300000000, -0.0000705800000000, 0.0002066100000000 ] - [ 0.0000356100000000, -0.0005363600000000, -0.0000779500000000 ] - [ 0.0002713900000000, 0.0002290600000000, 0.0000896600000000 ] - [ 0.0005567300000000, 0.0002671100000000, 0.0001109500000000 ] - [ -0.0000770200000000, 0.0002960700000000, 0.0000906900000000 ] - [ -0.0002193100000000, 0.0002044700000000, -0.0001932500000000 ] - [ 0.0013186100000000, 0.0004385200000000, -0.0003019400000000 ] - [ 0.0000946500000000, 0.0002555300000000, 0.0001514100000000 ] - [ -0.0000078000000000, 0.0003491000000000, -0.0000036500000000 ] - [ 0.0000292500000000, 0.0017913100000000, 0.0000429400000000 ] - [ -0.0003775300000000, -0.0001188800000000, 0.0006081900000000 ] - [ -0.0022252300000000, -0.0047087900000000, -0.0062820300000000 ] - [ 0.0002541500000000, -0.0000126300000000, 0.0000444000000000 ] - [ -0.0001411600000000, 0.0003553800000000, -0.0005132900000000 ] - [ 0.0005917900000000, 0.0000293300000000, -0.0000796300000000 ] - [ 0.0006399200000000, 0.0001590900000000, 0.0002159800000000 ] - [ 0.0010126500000000, -0.0018952700000000, -0.0005445300000000 ] - [ -0.0004231900000000, -0.0000157100000000, 0.0001753300000000 ] - [ 0.0001415000000000, -0.0002777100000000, 0.0002836600000000 ] - [ 0.0005635500000000, -0.0014160700000000, -0.0015698000000000 ] - [ -0.0017820700000000, -0.0011549100000000, 0.0001460300000000 ] - [ -0.0002545400000000, 0.0000180800000000, -0.0000503500000000 ] - [ -0.0000920800000000, -0.0002939200000000, -0.0000766400000000 ] - [ -0.0000803500000000, -0.0004557600000000, -0.0000255300000000 ] - [ 0.0002109000000000, -0.0002976700000000, -0.0000081600000000 ] - [ 0.0003164300000000, -0.0015320000000000, -0.0000459800000000 ] - [ -0.0005734500000000, -0.0004727000000000, 0.0000107500000000 ] - [ -0.0002323600000000, -0.0000687200000000, 0.0001019100000000 ] - [ 0.0002106000000000, -0.0004286400000000, -0.0001254300000000 ] - [ 0.0003297900000000, -0.0003656400000000, 0.0000848400000000 ] - [ 0.0002300400000000, -0.0002471500000000, -0.0001785700000000 ] - [ 0.0003035300000000, -0.0007280600000000, -0.0002707000000000 ] - [ -0.0001637600000000, -0.0002325400000000, 0.0002554800000000 ] - [ -0.0002450800000000, -0.0002305300000000, 0.0000906800000000 ] - [ -0.0001622300000000, -0.0001719000000000, 0.0003021900000000 ] - [ -0.0003512200000000, 0.0001687100000000, -0.0004212100000000 ] - [ -0.0059337400000000, -0.0047849500000000, -0.0037130500000000 ] - [ -0.0002948400000000, -0.0001083700000000, -0.0001862200000000 ] - [ -0.0000919400000000, 0.0005219500000000, 0.0000629500000000 ] - [ -0.0002930200000000, -0.0001598100000000, -0.0005192200000000 ] - [ 0.0004783600000000, -0.0011247100000000, -0.0000911100000000 ] - [ -0.0000730000000000, -0.0010203300000000, 0.0002238800000000 ] - [ 0.0002793000000000, 0.0001883500000000, 0.0001224800000000 ] - [ 0.0011607000000000, -0.0000166800000000, 0.0002333000000000 ] - [ 0.0000520400000000, 0.0001175100000000, -0.0003435200000000 ] - [ 0.0006023200000000, -0.0005290900000000, 0.0014225200000000 ] - [ 0.0001588900000000, 0.0001507100000000, 0.0001781000000000 ] - [ 0.0000480500000000, 0.0003003700000000, -0.0000973900000000 ] - [ 0.0000785700000000, 0.0002258900000000, 0.0001701700000000 ] - [ 0.0013621000000000, 0.0006754000000000, -0.0017566500000000 ] - [ -0.0004660500000000, -0.0011270700000000, -0.0009656900000000 ] - [ 0.0000354600000000, -0.0001212000000000, -0.0000055400000000 ] - [ -0.0002047900000000, -0.0004017400000000, -0.0002361200000000 ] - [ -0.0001385400000000, -0.0001686000000000, 0.0001357000000000 ] - [ 0.0000172800000000, 0.0001152300000000, 0.0000298300000000 ] - [ 0.0004676200000000, 0.0002391400000000, -0.0004459600000000 ] - [ -0.0001327400000000, -0.0001163200000000, 0.0001111700000000 ] - [ 0.0001662900000000, 0.0002724800000000, -0.0002373000000000 ] - [ -0.0003127200000000, 0.0002905400000000, -0.0001077800000000 ] - [ -0.0001087000000000, 0.0003630900000000, 0.0001058100000000 ] - [ -0.0006650800000000, 0.0009323000000000, 0.0008066400000000 ] - [ 0.0000575500000000, 0.0003599900000000, -0.0000054000000000 ] - [ -0.0000351500000000, 0.0002694400000000, -0.0001366000000000 ] - [ 0.0023585700000000, 0.0016634700000000, 0.0015735600000000 ] - [ 0.0002426100000000, 0.0000986400000000, -0.0000495100000000 ] - [ 0.0019316700000000, 0.0013924500000000, 0.0027406000000000 ] - [ -0.0000907700000000, 0.0000110200000000, 0.0000197800000000 ] - [ -0.0004894800000000, 0.0006452000000000, -0.0004511700000000 ] - [ -0.0010796100000000, 0.0009549000000000, -0.0005480900000000 ] - [ -0.0002110700000000, 0.0000364800000000, -0.0000655100000000 ] - [ 0.0003584000000000, -0.0007065200000000, -0.0001269200000000 ] - [ 0.0002166600000000, -0.0008783400000000, 0.0000525800000000 ] - [ -0.0000494900000000, -0.0006550500000000, -0.0000338000000000 ] - [ -0.0197678100000000, -0.0249900100000000, -0.0241766000000000 ] - [ -0.0012318700000000, 0.0000082300000000, 0.0011981200000000 ] - [ -0.0001810900000000, 0.0000908000000000, -0.0004660900000000 ] - [ -0.0004596800000000, 0.0001000600000000, -0.0002334200000000 ] - [ 0.0001613200000000, 0.0001854100000000, -0.0001517300000000 ] - [ 0.0001030200000000, -0.0000714600000000, 0.0002960300000000 ] - [ 0.0000184000000000, -0.0004199400000000, -0.0000222300000000 ] - [ -0.0002733100000000, -0.0000156700000000, 0.0000365600000000 ] - [ 0.0003079300000000, -0.0111491900000000, 0.0050271900000000 ] - [ -0.0035449700000000, -0.0040235900000000, 0.0027189100000000 ] - [ -0.0005429300000000, -0.0011059300000000, 0.0006051000000000 ] - [ 0.0009277900000000, -0.0011134300000000, -0.0001197100000000 ] - [ 0.0002164000000000, -0.0003230900000000, 0.0004046700000000 ] - [ 0.0001724100000000, -0.0002981500000000, -0.0001539500000000 ] - [ 0.0003252700000000, -0.0004152300000000, -0.0001909100000000 ] - [ -0.0001683900000000, -0.0003672500000000, 0.0003452700000000 ] - [ 0.0023767300000000, -0.0030301800000000, -0.0022396300000000 ] - [ -0.0002484900000000, -0.0008192600000000, 0.0002959700000000 ] - [ 0.0000142600000000, -0.0001793800000000, -0.0000101400000000 ] - [ 0.0004003600000000, -0.0003150200000000, -0.0001555400000000 ] - [ 0.0001954500000000, -0.0002374500000000, -0.0000636600000000 ] - [ 0.0001319300000000, 0.0002223000000000, -0.0002314700000000 ] - [ -0.0005064900000000, 0.0004392700000000, 0.0003039600000000 ] - [ -0.0001402300000000, 0.0001746800000000, -0.0001861200000000 ] - [ 0.0001852400000000, 0.0001867500000000, -0.0000340200000000 ] - [ -0.0001429000000000, 0.0002847000000000, -0.0000691400000000 ] - [ -0.0001704000000000, 0.0001101300000000, -0.0001623400000000 ] - [ 0.0003535000000000, 0.0010322200000000, 0.0002876200000000 ] - [ 0.0001667600000000, 0.0001325300000000, 0.0001973100000000 ] - [ 0.0001119800000000, 0.0005222900000000, 0.0000551900000000 ] - [ 0.0001631000000000, 0.0010875100000000, -0.0005484100000000 ] - [ -0.0001368000000000, 0.0001687300000000, 0.0001880500000000 ] - [ -0.0002405000000000, 0.0008241500000000, 0.0001618800000000 ] - [ 0.0000494400000000, 0.0004619300000000, -0.0001322400000000 ] - [ 0.0001677600000000, 0.0004113900000000, 0.0005197300000000 ] - [ -0.0001149400000000, 0.0017657500000000, -0.0004261700000000 ] - [ -0.0000609500000000, 0.0003339200000000, 0.0001341100000000 ]- atom: 21 displacement: [ -0.0026967483687124, 0.0000000000000000, 0.0096295144340640 ] forces: - [ 0.0000943400000000, -0.0001704200000000, -0.0002558400000000 ] - [ 0.0000574100000000, -0.0000194000000000, 0.0001947500000000 ] - [ 0.0001383500000000, 0.0001069400000000, 0.0001912900000000 ] - [ -0.0001241500000000, 0.0000991800000000, -0.0001363400000000 ] - [ -0.0002193900000000, 0.0000440600000000, 0.0001317000000000 ] - [ -0.0004241700000000, -0.0001865000000000, -0.0001357300000000 ] - [ 0.0004158400000000, 0.0000701100000000, 0.0002090800000000 ] - [ 0.0002558800000000, 0.0000244700000000, -0.0002209700000000 ] - [ 0.0010531200000000, -0.0007791300000000, -0.0009834700000000 ] - [ 0.0002088900000000, 0.0003420300000000, 0.0004697900000000 ] - [ -0.0003483000000000, 0.0000857800000000, -0.0002663800000000 ] - [ -0.0002683700000000, 0.0000789000000000, 0.0001840300000000 ] - [ 0.0003466700000000, 0.0001266500000000, -0.0000461800000000 ] - [ 0.0003537100000000, 0.0000385900000000, -0.0000389100000000 ] - [ -0.0005058400000000, -0.0009593900000000, -0.0018723000000000 ] - [ -0.0003047700000000, 0.0002050200000000, 0.0005425400000000 ] - [ 0.0013850800000000, -0.0013073800000000, 0.0021718300000000 ] - [ -0.0009126000000000, 0.0002352400000000, 0.0013611900000000 ] - [ 0.0003139800000000, -0.0000980400000000, 0.0003658800000000 ] - [ 0.0001387200000000, -0.0000936500000000, -0.0004064600000000 ] - [ -0.0055206400000000, -0.0149377900000000, -0.0608441800000000 ] - [ -0.0003618100000000, 0.0001673600000000, 0.0010737500000000 ] - [ -0.0001115000000000, 0.0000710500000000, -0.0001363300000000 ] - [ 0.0011383500000000, -0.0000696500000000, 0.0008406800000000 ] - [ 0.0002659300000000, -0.0000792700000000, 0.0002552700000000 ] - [ 0.0001144000000000, -0.0002338100000000, -0.0009846900000000 ] - [ -0.0007940700000000, 0.0010419100000000, 0.0017901900000000 ] - [ -0.0001615800000000, -0.0009314400000000, 0.0019549600000000 ] - [ 0.0005432800000000, 0.0003417100000000, 0.0001244900000000 ] - [ 0.0001910700000000, -0.0002648300000000, 0.0001752200000000 ] - [ -0.0002979000000000, -0.0002064800000000, -0.0003348600000000 ] - [ -0.0001359000000000, -0.0000723300000000, 0.0001534800000000 ] - [ 0.0003741400000000, 0.0008273500000000, 0.0007188200000000 ] - [ -0.0000903200000000, 0.0003903600000000, -0.0001181200000000 ] - [ 0.0006071300000000, -0.0008276500000000, -0.0010907600000000 ] - [ -0.0001505400000000, -0.0005496500000000, 0.0004243400000000 ] - [ 0.0003059800000000, 0.0001344100000000, 0.0005213100000000 ] - [ 0.0000305900000000, 0.0007572900000000, -0.0005713000000000 ] - [ 0.0001392500000000, -0.0001013200000000, -0.0002121900000000 ] - [ -0.0004020400000000, 0.0003309200000000, -0.0000203300000000 ] - [ -0.0027327700000000, 0.0014543400000000, -0.0008068700000000 ] - [ 0.0002921600000000, -0.0002110300000000, 0.0005648300000000 ] - [ -0.0001987500000000, 0.0000764200000000, 0.0002821900000000 ] - [ 0.0043975900000000, 0.0015986100000000, 0.0035889900000000 ] - [ -0.0008891300000000, -0.0004598500000000, 0.0016239300000000 ] - [ 0.0027663700000000, 0.0062224100000000, 0.0054086300000000 ] - [ 0.0001910200000000, -0.0001711500000000, 0.0003419300000000 ] - [ 0.0007428800000000, 0.0003730500000000, -0.0004424900000000 ] - [ -0.0000140200000000, 0.0004204300000000, -0.0001753800000000 ] - [ 0.0005108600000000, 0.0000986000000000, 0.0002738200000000 ] - [ -0.0011678700000000, 0.0018841300000000, -0.0009428300000000 ] - [ -0.0003880800000000, -0.0002703600000000, 0.0006101200000000 ] - [ 0.0001028000000000, -0.0006983200000000, -0.0000054900000000 ] - [ -0.0001045800000000, 0.0016531200000000, 0.0016388500000000 ] - [ -0.0001431100000000, 0.0001110100000000, -0.0003846800000000 ] - [ -0.0002945000000000, 0.0000930500000000, 0.0003751100000000 ] - [ -0.0003724200000000, -0.0000112700000000, 0.0000976900000000 ] - [ -0.0000422500000000, -0.0001600500000000, 0.0000127600000000 ] - [ 0.0000641600000000, -0.0001545700000000, 0.0004086600000000 ] - [ 0.0004795400000000, -0.0003976900000000, -0.0008286500000000 ] - [ -0.0001893300000000, 0.0001345400000000, -0.0001025000000000 ] - [ -0.0000764500000000, 0.0001366600000000, 0.0004228300000000 ] - [ 0.0002631200000000, 0.0001166500000000, -0.0002507000000000 ] - [ -0.0000511100000000, 0.0002902900000000, -0.0001659700000000 ] - [ 0.0001292900000000, -0.0000659800000000, 0.0002187300000000 ] - [ 0.0000260500000000, 0.0000455400000000, -0.0008247700000000 ] - [ -0.0001213800000000, -0.0001432700000000, 0.0002085800000000 ] - [ -0.0001084300000000, -0.0000096000000000, 0.0002149900000000 ] - [ -0.0008799300000000, -0.0006369700000000, 0.0001597500000000 ] - [ 0.0008615200000000, 0.0000436800000000, 0.0007932200000000 ] - [ -0.0004269800000000, -0.0007719500000000, -0.0024918200000000 ] - [ -0.0004524400000000, -0.0002016900000000, 0.0004370200000000 ] - [ -0.0002572200000000, 0.0004649300000000, 0.0003369900000000 ] - [ 0.0008382400000000, 0.0009494500000000, -0.0005213900000000 ] - [ -0.0001761800000000, -0.0003663600000000, -0.0002820400000000 ] - [ 0.0000099600000000, -0.0006205100000000, 0.0003053000000000 ] - [ 0.0002037800000000, 0.0001996400000000, 0.0004695400000000 ] - [ 0.0004183200000000, 0.0002628700000000, -0.0006835700000000 ] - [ -0.0005717700000000, 0.0006490500000000, -0.0000754200000000 ] - [ 0.0001311600000000, -0.0002895000000000, 0.0005003200000000 ] - [ -0.0005770800000000, -0.0000777800000000, 0.0000182200000000 ] - [ -0.0000366600000000, 0.0002244700000000, 0.0000913300000000 ] - [ 0.0002121800000000, -0.0001175500000000, -0.0005158700000000 ] - [ 0.0000114000000000, 0.0001170800000000, 0.0002606600000000 ] - [ -0.0015428800000000, 0.0010658400000000, 0.0006251500000000 ] - [ 0.0007764300000000, -0.0005537800000000, -0.0006126900000000 ] - [ -0.0000675200000000, 0.0002597900000000, 0.0008527500000000 ] - [ -0.0002638300000000, -0.0002707800000000, -0.0003102600000000 ] - [ 0.0001343800000000, -0.0005068200000000, -0.0001951300000000 ] - [ 0.0002105100000000, -0.0003044700000000, 0.0000707800000000 ] - [ -0.0002779500000000, -0.0003480400000000, -0.0001750900000000 ] - [ -0.0000948500000000, -0.0002927500000000, 0.0002926700000000 ] - [ -0.0003380700000000, 0.0004657800000000, 0.0003250900000000 ] - [ -0.0001523900000000, 0.0001539900000000, -0.0001675000000000 ] - [ -0.0003899900000000, 0.0004539700000000, 0.0010981000000000 ] - [ 0.0003455400000000, 0.0002537100000000, -0.0004191800000000 ] - [ 0.0003045200000000, 0.0008791900000000, -0.0002156800000000 ] - [ -0.0032184000000000, -0.0018631400000000, -0.0014402900000000 ] - [ 0.0002771300000000, 0.0000690700000000, -0.0004311300000000 ] - [ 0.0002356100000000, 0.0003479000000000, 0.0007922300000000 ] - [ 0.0003756400000000, -0.0003930100000000, 0.0001183600000000 ] - [ -0.0002005200000000, 0.0002074000000000, -0.0003735900000000 ] - [ 0.0002242000000000, -0.0007068500000000, 0.0014604500000000 ] - [ -0.0001902300000000, -0.0000076200000000, -0.0003847100000000 ] - [ 0.0006392100000000, -0.0004494500000000, -0.0004019300000000 ] - [ -0.0012709300000000, -0.0023887400000000, -0.0011115600000000 ] - [ 0.0003391200000000, -0.0006488500000000, -0.0007829100000000 ] - [ 0.0157642700000000, 0.0169705800000000, 0.0296914100000000 ] - [ 0.0008103200000000, -0.0013166800000000, -0.0004607500000000 ] - [ -0.0007498100000000, 0.0009684600000000, -0.0009274300000000 ] - [ 0.0008883500000000, -0.0007089500000000, 0.0017232600000000 ] - [ 0.0000135700000000, 0.0004932400000000, -0.0005552600000000 ] - [ 0.0004466500000000, -0.0000260600000000, -0.0001842600000000 ] - [ -0.0004842400000000, 0.0009095400000000, 0.0002620000000000 ] - [ 0.0002165800000000, -0.0002742300000000, -0.0010563100000000 ] - [ 0.0004092900000000, -0.0054323900000000, 0.0066672000000000 ] - [ -0.0038515800000000, -0.0029183200000000, 0.0064329900000000 ] - [ 0.0000604200000000, 0.0000880000000000, -0.0017927900000000 ] - [ 0.0004428600000000, 0.0002845400000000, 0.0010336700000000 ] - [ 0.0002074700000000, -0.0001356400000000, -0.0005542000000000 ] - [ -0.0000715500000000, -0.0000494900000000, -0.0003939500000000 ] - [ -0.0000289300000000, 0.0000241100000000, 0.0000575400000000 ] - [ -0.0002115600000000, -0.0000731600000000, -0.0011581900000000 ] - [ -0.0092820300000000, 0.0015400300000000, 0.0080073300000000 ] - [ -0.0011753900000000, -0.0010571600000000, 0.0005232000000000 ] - [ 0.0003111200000000, 0.0003639000000000, -0.0004996300000000 ] - [ 0.0003105600000000, 0.0000877500000000, 0.0002156700000000 ] - [ -0.0001529200000000, 0.0002686600000000, -0.0007424300000000 ] - [ 0.0000136700000000, 0.0006374300000000, -0.0001133700000000 ] - [ 0.0008862900000000, -0.0004254500000000, 0.0001461100000000 ] - [ -0.0002578300000000, 0.0000659000000000, -0.0004506400000000 ] - [ -0.0001766100000000, -0.0000265400000000, 0.0000613600000000 ] - [ -0.0001952700000000, -0.0001251300000000, -0.0000046100000000 ] - [ -0.0002679900000000, -0.0000559100000000, -0.0003728400000000 ] - [ 0.0001537000000000, -0.0001277500000000, 0.0006427500000000 ] - [ 0.0003239500000000, -0.0001415200000000, -0.0001765900000000 ] - [ 0.0002063900000000, -0.0001181800000000, -0.0005374700000000 ] - [ 0.0002489000000000, -0.0003289700000000, 0.0001112600000000 ] - [ -0.0001921900000000, -0.0000106500000000, -0.0001558700000000 ] - [ -0.0002304300000000, -0.0001947400000000, 0.0005413300000000 ] - [ 0.0000021500000000, 0.0001594400000000, 0.0004036900000000 ] - [ -0.0004709300000000, -0.0002086100000000, -0.0001406700000000 ] - [ 0.0001095800000000, -0.0000349700000000, 0.0008105400000000 ] - [ 0.0004002200000000, 0.0000908200000000, -0.0010118200000000 ]- atom: 21 displacement: [ 0.0026967483687124, 0.0000000000000000, -0.0096295144340640 ] forces: - [ -0.0001054000000000, 0.0000016100000000, 0.0002502100000000 ] - [ -0.0000355600000000, -0.0001597000000000, -0.0001630300000000 ] - [ -0.0001561400000000, 0.0000603800000000, -0.0002083600000000 ] - [ 0.0000942200000000, 0.0000657000000000, 0.0001086900000000 ] - [ -0.0004522200000000, -0.0002057500000000, -0.0001649200000000 ] - [ -0.0002468200000000, 0.0000224600000000, 0.0000990300000000 ] - [ 0.0003080000000000, -0.0002527100000000, -0.0001616300000000 ] - [ 0.0004640100000000, -0.0002081800000000, 0.0002717900000000 ] - [ -0.0003848200000000, 0.0009238200000000, 0.0009905000000000 ] - [ 0.0004810900000000, -0.0001328300000000, -0.0003841300000000 ] - [ -0.0003632500000000, 0.0001072100000000, 0.0002046600000000 ] - [ -0.0004184200000000, 0.0000668400000000, -0.0002016800000000 ] - [ 0.0001256600000000, 0.0000846700000000, 0.0000044500000000 ] - [ 0.0001234000000000, 0.0001730600000000, -0.0000011200000000 ] - [ 0.0000509700000000, 0.0011983000000000, 0.0018782800000000 ] - [ -0.0001204200000000, 0.0000532900000000, -0.0005587000000000 ] - [ -0.0018689500000000, 0.0010909400000000, -0.0021120300000000 ] - [ 0.0004838700000000, -0.0004897200000000, -0.0013712900000000 ] - [ 0.0001709800000000, -0.0001129000000000, -0.0003985900000000 ] - [ 0.0002875100000000, -0.0001585200000000, 0.0004150800000000 ] - [ 0.0056574800000000, 0.0157315600000000, 0.0613892100000000 ] - [ 0.0000368000000000, 0.0000452900000000, -0.0006569900000000 ] - [ 0.0004725400000000, 0.0000936900000000, -0.0002097200000000 ] - [ -0.0008183100000000, 0.0002804600000000, -0.0012441400000000 ] - [ 0.0001045600000000, -0.0000736200000000, -0.0005946900000000 ] - [ 0.0002190600000000, 0.0000464200000000, 0.0006015200000000 ] - [ 0.0004043500000000, -0.0011853200000000, -0.0014328800000000 ] - [ -0.0001919100000000, 0.0007545700000000, -0.0015811400000000 ] - [ -0.0000672300000000, -0.0006996400000000, 0.0000761700000000 ] - [ 0.0002774300000000, -0.0000921500000000, 0.0000286300000000 ] - [ -0.0002491600000000, -0.0002202900000000, 0.0001221600000000 ] - [ -0.0003953300000000, -0.0003423800000000, -0.0003693300000000 ] - [ -0.0004051700000000, 0.0004062200000000, -0.0006885300000000 ] - [ 0.0000524900000000, 0.0008428800000000, 0.0001442800000000 ] - [ -0.0005742700000000, -0.0003975800000000, 0.0010665600000000 ] - [ 0.0001164700000000, -0.0006745200000000, -0.0003947300000000 ] - [ 0.0001952700000000, 0.0002611500000000, -0.0003292200000000 ] - [ 0.0004768600000000, -0.0003681500000000, 0.0008021000000000 ] - [ -0.0006263600000000, 0.0004757200000000, 0.0000235000000000 ] - [ -0.0001125700000000, 0.0000664000000000, -0.0001969400000000 ] - [ 0.0027357300000000, -0.0016176200000000, 0.0008162600000000 ] - [ -0.0003067300000000, 0.0000506200000000, -0.0005745500000000 ] - [ 0.0001625200000000, 0.0001011700000000, -0.0003099300000000 ] - [ -0.0043906800000000, -0.0014206100000000, -0.0035524600000000 ] - [ 0.0002206000000000, 0.0002978200000000, -0.0016496100000000 ] - [ -0.0034616600000000, -0.0064108500000000, -0.0054400400000000 ] - [ 0.0005265700000000, -0.0000129000000000, -0.0002897100000000 ] - [ -0.0000482800000000, -0.0005879300000000, 0.0005335400000000 ] - [ 0.0007181000000000, -0.0002086300000000, 0.0002520800000000 ] - [ 0.0002088000000000, 0.0000865200000000, -0.0002215500000000 ] - [ 0.0004795800000000, -0.0017469300000000, 0.0009330400000000 ] - [ -0.0002942600000000, 0.0004221700000000, -0.0006329200000000 ] - [ 0.0003891500000000, 0.0009026500000000, -0.0000545000000000 ] - [ 0.0005961400000000, -0.0014507700000000, -0.0016866000000000 ] - [ -0.0002714200000000, 0.0001489400000000, 0.0003765000000000 ] - [ -0.0001378900000000, 0.0001643300000000, -0.0003859200000000 ] - [ -0.0000410600000000, -0.0002522600000000, -0.0001247400000000 ] - [ -0.0003876600000000, -0.0000927900000000, -0.0000253600000000 ] - [ 0.0004094200000000, -0.0000581000000000, -0.0004439900000000 ] - [ 0.0000109100000000, 0.0001940500000000, 0.0007843800000000 ] - [ -0.0001399800000000, 0.0000712600000000, 0.0005043300000000 ] - [ -0.0002612800000000, 0.0000633000000000, -0.0000232900000000 ] - [ 0.0001086700000000, 0.0000391500000000, -0.0000923700000000 ] - [ 0.0004186500000000, -0.0001351100000000, -0.0001737900000000 ] - [ 0.0001900100000000, -0.0001448300000000, -0.0006217000000000 ] - [ 0.0003270200000000, -0.0002209300000000, 0.0004559700000000 ] - [ -0.0002155900000000, -0.0000507100000000, 0.0001782100000000 ] - [ -0.0002437000000000, -0.0001680000000000, 0.0001640100000000 ] - [ 0.0013343300000000, 0.0002755700000000, 0.0000314500000000 ] - [ -0.0003669000000000, -0.0004304100000000, -0.0006042700000000 ] - [ -0.0000405400000000, 0.0004307200000000, 0.0022905400000000 ] - [ -0.0000909100000000, -0.0002215500000000, -0.0006425300000000 ] - [ 0.0002144100000000, 0.0007542900000000, -0.0003088100000000 ] - [ -0.0008822100000000, 0.0002750200000000, 0.0005584900000000 ] - [ 0.0001220000000000, -0.0008572700000000, 0.0003150800000000 ] - [ -0.0000462500000000, -0.0006069600000000, -0.0002796200000000 ] - [ 0.0002635100000000, 0.0001578000000000, -0.0002647600000000 ] - [ 0.0000609200000000, 0.0001117000000000, 0.0008677800000000 ] - [ 0.0000519500000000, -0.0002564400000000, -0.0001562300000000 ] - [ -0.0006527100000000, 0.0006877400000000, -0.0007084500000000 ] - [ 0.0002900800000000, 0.0002030700000000, 0.0000679600000000 ] - [ -0.0002447400000000, -0.0001052100000000, -0.0000020100000000 ] - [ 0.0001035800000000, 0.0002378600000000, 0.0004295900000000 ] - [ 0.0003311500000000, -0.0000010500000000, -0.0003715400000000 ] - [ 0.0018285300000000, -0.0011781700000000, -0.0006852000000000 ] - [ -0.0004781900000000, 0.0004325900000000, 0.0005024600000000 ] - [ -0.0002461600000000, -0.0003764100000000, -0.0007486500000000 ] - [ -0.0000297900000000, 0.0001436000000000, 0.0003741000000000 ] - [ 0.0001901100000000, -0.0000641300000000, 0.0000842300000000 ] - [ 0.0001188700000000, -0.0002618900000000, -0.0001886400000000 ] - [ -0.0000230600000000, -0.0002221600000000, 0.0002882200000000 ] - [ -0.0001985900000000, -0.0002768900000000, -0.0001833000000000 ] - [ 0.0000277000000000, 0.0001162300000000, -0.0001867700000000 ] - [ -0.0001566600000000, 0.0004161900000000, 0.0002599100000000 ] - [ 0.0006967700000000, 0.0001216800000000, -0.0012013600000000 ] - [ -0.0000474000000000, 0.0003162900000000, 0.0002758400000000 ] - [ -0.0005850900000000, -0.0007423000000000, 0.0003151800000000 ] - [ 0.0029298700000000, 0.0019817500000000, 0.0014980800000000 ] - [ 0.0000558000000000, 0.0000478500000000, 0.0003336900000000 ] - [ 0.0000552500000000, -0.0002380800000000, -0.0009408400000000 ] - [ -0.0000560600000000, 0.0002735900000000, -0.0002309100000000 ] - [ 0.0005179400000000, -0.0003200100000000, 0.0002826200000000 ] - [ -0.0005145200000000, 0.0005840400000000, -0.0013800800000000 ] - [ -0.0000851500000000, -0.0001151100000000, 0.0004734900000000 ] - [ -0.0003024500000000, -0.0001281600000000, 0.0002838200000000 ] - [ 0.0015759900000000, 0.0018081600000000, 0.0009673100000000 ] - [ -0.0006252400000000, 0.0000602400000000, 0.0008840400000000 ] - [ -0.0166850200000000, -0.0180403900000000, -0.0299269200000000 ] - [ -0.0010961200000000, 0.0018725700000000, 0.0005674600000000 ] - [ 0.0004622700000000, -0.0004008600000000, 0.0010396200000000 ] - [ -0.0005598300000000, 0.0012809600000000, -0.0018471500000000 ] - [ 0.0003155000000000, 0.0000751600000000, 0.0004378300000000 ] - [ -0.0000880700000000, 0.0001657700000000, 0.0005339100000000 ] - [ 0.0008330800000000, -0.0007721000000000, 0.0000944600000000 ] - [ -0.0005910300000000, 0.0004047800000000, 0.0007232300000000 ] - [ -0.0008432400000000, 0.0057248700000000, -0.0070645600000000 ] - [ 0.0032585800000000, 0.0025569100000000, -0.0064262800000000 ] - [ -0.0004380400000000, -0.0002310500000000, 0.0014381400000000 ] - [ -0.0000804600000000, -0.0004205300000000, -0.0006857600000000 ] - [ 0.0001504400000000, -0.0000167300000000, 0.0009129800000000 ] - [ 0.0002908200000000, -0.0000257000000000, 0.0000423400000000 ] - [ 0.0002733200000000, -0.0000811400000000, -0.0004231900000000 ] - [ -0.0000387200000000, -0.0000259600000000, 0.0014987000000000 ] - [ 0.0094067700000000, -0.0017016000000000, -0.0078270200000000 ] - [ 0.0009623500000000, 0.0011637600000000, -0.0001196700000000 ] - [ -0.0005687500000000, -0.0002882000000000, 0.0008439900000000 ] - [ -0.0000671600000000, -0.0000152700000000, -0.0005654000000000 ] - [ 0.0003911300000000, -0.0002099200000000, 0.0004033300000000 ] - [ 0.0003380200000000, -0.0004766200000000, 0.0004703700000000 ] - [ -0.0005276100000000, 0.0005731400000000, 0.0001920100000000 ] - [ -0.0001309200000000, 0.0000779300000000, 0.0001055600000000 ] - [ -0.0002016400000000, 0.0001622300000000, -0.0004041400000000 ] - [ -0.0001840400000000, -0.0000119100000000, -0.0003340000000000 ] - [ -0.0001143700000000, -0.0000880800000000, 0.0000259600000000 ] - [ 0.0001976700000000, -0.0000101200000000, -0.0002937300000000 ] - [ 0.0000318800000000, 0.0000169200000000, 0.0005179200000000 ] - [ 0.0000332200000000, 0.0000695600000000, 0.0001949700000000 ] - [ -0.0000172800000000, 0.0002698500000000, -0.0004567000000000 ] - [ -0.0000614400000000, -0.0000679300000000, 0.0005121400000000 ] - [ -0.0000218600000000, 0.0001010400000000, -0.0001853300000000 ] - [ -0.0002496600000000, -0.0000805600000000, -0.0000390900000000 ] - [ 0.0002283000000000, 0.0002972500000000, 0.0004949300000000 ] - [ 0.0001355700000000, 0.0000933100000000, -0.0011529700000000 ] - [ -0.0001522400000000, -0.0000168100000000, 0.0006537900000000 ]- atom: 29 displacement: [ 0.0099999386121055, 0.0000000000000000, -0.0000350393225009 ] forces: - [ -0.0008511300000000, 0.0001188400000000, -0.0005659500000000 ] - [ -0.0002329000000000, -0.0001118700000000, -0.0001897500000000 ] - [ -0.0016935400000000, 0.0005836400000000, -0.0003641900000000 ] - [ -0.0002817700000000, 0.0002178800000000, -0.0002876200000000 ] - [ 0.0039895800000000, 0.0013489700000000, 0.0062435800000000 ] - [ -0.0002015700000000, -0.0001838100000000, -0.0003319200000000 ] - [ 0.0066193600000000, -0.0001796500000000, -0.0079357700000000 ] - [ -0.0000887200000000, 0.0001156400000000, 0.0001959300000000 ] - [ -0.0001245600000000, -0.0001648300000000, 0.0000173100000000 ] - [ 0.0002826900000000, -0.0000169600000000, -0.0000858900000000 ] - [ -0.0005639900000000, 0.0001157000000000, -0.0001196600000000 ] - [ -0.0005220900000000, 0.0001302000000000, -0.0000207900000000 ] - [ 0.0067491000000000, -0.0063036000000000, 0.0000497600000000 ] - [ 0.0001498100000000, 0.0000692600000000, -0.0000379200000000 ] - [ -0.0010723000000000, 0.0001524000000000, 0.0001395100000000 ] - [ -0.0006129100000000, 0.0009478500000000, -0.0005415900000000 ] - [ -0.0004359400000000, 0.0004458600000000, -0.0003198400000000 ] - [ -0.0002662100000000, -0.0001433000000000, -0.0000256200000000 ] - [ 0.0000258000000000, -0.0002225300000000, 0.0001535400000000 ] - [ 0.0001959900000000, -0.0002292200000000, -0.0001399300000000 ] - [ 0.0000107300000000, 0.0003095800000000, 0.0005461400000000 ] - [ -0.0000551300000000, 0.0001400000000000, 0.0001475500000000 ] - [ 0.0012683200000000, -0.0008686400000000, 0.0000770500000000 ] - [ 0.0002595000000000, 0.0000146000000000, -0.0000280800000000 ] - [ 0.0003793100000000, -0.0002570600000000, 0.0002750900000000 ] - [ 0.0004822500000000, -0.0000989300000000, -0.0002410600000000 ] - [ 0.0002376700000000, 0.0002388900000000, 0.0000657700000000 ] - [ -0.0001369100000000, -0.0000446900000000, 0.0002384300000000 ] - [ -0.0762526700000000, 0.0427662900000000, -0.0059839000000000 ] - [ 0.0000269300000000, -0.0001128600000000, -0.0000392400000000 ] - [ -0.0001782400000000, 0.0000203900000000, -0.0018017800000000 ] - [ -0.0014378700000000, -0.0001938500000000, -0.0002005800000000 ] - [ -0.0023390300000000, 0.0004947800000000, 0.0007054100000000 ] - [ -0.0001791200000000, 0.0004897300000000, -0.0002357900000000 ] - [ -0.0003749000000000, -0.0008023600000000, -0.0000197000000000 ] - [ -0.0001177000000000, -0.0006239600000000, -0.0000341100000000 ] - [ 0.0000138800000000, 0.0000393200000000, -0.0001144200000000 ] - [ 0.0000078800000000, 0.0000698100000000, -0.0000362500000000 ] - [ -0.0006734000000000, 0.0001809200000000, -0.0002323800000000 ] - [ -0.0003524300000000, 0.0002179600000000, -0.0001937000000000 ] - [ 0.0004862200000000, 0.0001295800000000, 0.0001838400000000 ] - [ 0.0002400700000000, -0.0000848700000000, 0.0002275700000000 ] - [ 0.0003933800000000, -0.0000443500000000, 0.0002442100000000 ] - [ 0.0001474900000000, 0.0000525900000000, 0.0001374600000000 ] - [ -0.0001025600000000, -0.0002075900000000, -0.0001688100000000 ] - [ -0.0002713500000000, -0.0000839600000000, 0.0000843800000000 ] - [ 0.0006174800000000, -0.0002244200000000, 0.0001483100000000 ] - [ 0.0004862900000000, -0.0001138500000000, 0.0000151900000000 ] - [ 0.0010130500000000, 0.0000266700000000, -0.0001934300000000 ] - [ 0.0005673700000000, 0.0001505600000000, 0.0004368500000000 ] - [ 0.0007766800000000, 0.0001492000000000, 0.0001563000000000 ] - [ -0.0001453400000000, 0.0001277500000000, -0.0000306600000000 ] - [ 0.0010818300000000, -0.0005806000000000, -0.0005625500000000 ] - [ 0.0002966100000000, 0.0000791800000000, 0.0000419300000000 ] - [ -0.0000129000000000, 0.0001622400000000, -0.0000757400000000 ] - [ -0.0001586700000000, 0.0002933000000000, 0.0001095100000000 ] - [ 0.0014096200000000, -0.0001113300000000, 0.0002161100000000 ] - [ -0.0001342700000000, -0.0000546700000000, 0.0000980000000000 ] - [ 0.0010290200000000, -0.0000805300000000, -0.0005330800000000 ] - [ 0.0007035200000000, -0.0000763700000000, 0.0003271800000000 ] - [ 0.0001091600000000, 0.0004829400000000, -0.0009156300000000 ] - [ -0.0005497800000000, 0.0006634500000000, 0.0006987200000000 ] - [ 0.0043477500000000, -0.0055313600000000, 0.0007850200000000 ] - [ 0.0001724000000000, 0.0000390700000000, -0.0003971500000000 ] - [ 0.0000427300000000, -0.0003800200000000, -0.0005484200000000 ] - [ -0.0000098600000000, -0.0009367500000000, 0.0001550500000000 ] - [ -0.0003631500000000, 0.0008528300000000, 0.0002977000000000 ] - [ -0.0002394900000000, -0.0000478900000000, 0.0001183600000000 ] - [ 0.0008274000000000, -0.0006236800000000, 0.0001936400000000 ] - [ 0.0003266000000000, -0.0002179200000000, 0.0002207100000000 ] - [ -0.0000571100000000, -0.0002154900000000, -0.0000136600000000 ] - [ -0.0000480100000000, -0.0001758400000000, -0.0000599600000000 ] - [ 0.0003547000000000, 0.0005908400000000, -0.0000957000000000 ] - [ 0.0001570000000000, 0.0005666800000000, 0.0001558600000000 ] - [ 0.0007168900000000, -0.0005977700000000, -0.0000855200000000 ] - [ 0.0003007300000000, -0.0005340900000000, 0.0000874500000000 ] - [ 0.0007335700000000, 0.0003161900000000, 0.0003874700000000 ] - [ 0.0007197500000000, 0.0002978200000000, 0.0003273200000000 ] - [ 0.0005509300000000, 0.0000944300000000, -0.0001710400000000 ] - [ -0.0000588700000000, 0.0001718500000000, 0.0000482000000000 ] - [ 0.0200980100000000, -0.0141152200000000, 0.0193665000000000 ] - [ 0.0000374600000000, 0.0001293300000000, 0.0003159600000000 ] - [ 0.0028696500000000, -0.0022717000000000, 0.0016939000000000 ] - [ 0.0010600000000000, 0.0004870400000000, 0.0003062700000000 ] - [ 0.0007899300000000, -0.0000543000000000, -0.0001281000000000 ] - [ 0.0002720500000000, -0.0000610800000000, 0.0000276900000000 ] - [ 0.0000318500000000, -0.0000578800000000, 0.0002267700000000 ] - [ 0.0001668200000000, 0.0000498700000000, 0.0000848000000000 ] - [ 0.0228347200000000, -0.0201531200000000, -0.0161893600000000 ] - [ 0.0004525800000000, -0.0001819800000000, 0.0000950300000000 ] - [ 0.0025276400000000, -0.0022529900000000, -0.0013878400000000 ] - [ -0.0001976700000000, -0.0006072900000000, 0.0004959900000000 ] - [ 0.0003869300000000, 0.0000384400000000, 0.0004529100000000 ] - [ 0.0000170300000000, 0.0003149000000000, 0.0001325200000000 ] - [ 0.0008240500000000, 0.0003586700000000, 0.0002589900000000 ] - [ 0.0004278500000000, 0.0004028400000000, 0.0002098400000000 ] - [ -0.0008434400000000, 0.0003305500000000, 0.0004459000000000 ] - [ -0.0002773300000000, 0.0001443000000000, -0.0000526700000000 ] - [ -0.0001922600000000, 0.0002045700000000, -0.0001121700000000 ] - [ -0.0000974800000000, 0.0000727400000000, -0.0000611900000000 ] - [ -0.0008893200000000, 0.0001392400000000, 0.0002531900000000 ] - [ -0.0001301500000000, -0.0003215300000000, -0.0003019900000000 ] - [ -0.0009198700000000, 0.0002583200000000, -0.0003632600000000 ] - [ -0.0007721400000000, -0.0005610900000000, 0.0001283200000000 ] - [ -0.0003758900000000, 0.0000578800000000, -0.0005458600000000 ] - [ 0.0000305800000000, -0.0002866100000000, -0.0001426800000000 ] - [ -0.0005014000000000, -0.0001389000000000, -0.0000002200000000 ] - [ -0.0003534100000000, -0.0003628700000000, -0.0001174200000000 ] - [ -0.0009750500000000, -0.0001010100000000, 0.0004218100000000 ] - [ -0.0003514000000000, 0.0001654400000000, -0.0000361900000000 ] - [ -0.0004166500000000, 0.0004439100000000, 0.0000873100000000 ] - [ -0.0002411300000000, 0.0003171200000000, -0.0003319000000000 ] - [ -0.0015243700000000, 0.0000003900000000, -0.0003321200000000 ] - [ 0.0000834600000000, 0.0000693200000000, 0.0000152800000000 ] - [ -0.0010032400000000, -0.0004484300000000, 0.0000976700000000 ] - [ -0.0001407200000000, -0.0001149700000000, -0.0005579400000000 ] - [ -0.0003663200000000, -0.0000689700000000, -0.0002593200000000 ] - [ -0.0002428400000000, 0.0000000200000000, -0.0002244000000000 ] - [ -0.0001157800000000, 0.0000309300000000, 0.0003220100000000 ] - [ 0.0001094400000000, 0.0000668200000000, -0.0000136900000000 ] - [ 0.0007068000000000, 0.0013440500000000, -0.0008104900000000 ] - [ 0.0001839500000000, 0.0000130600000000, -0.0001058900000000 ] - [ 0.0000407500000000, -0.0000587100000000, 0.0002366400000000 ] - [ 0.0000020300000000, -0.0000162600000000, 0.0001436600000000 ] - [ 0.0030808900000000, 0.0021374100000000, 0.0005173800000000 ] - [ -0.0001971600000000, -0.0000137500000000, 0.0003812500000000 ] - [ -0.0002704800000000, 0.0004705500000000, 0.0012287600000000 ] - [ 0.0004689800000000, 0.0002990500000000, -0.0006088700000000 ] - [ 0.0007340200000000, 0.0010611800000000, 0.0009872600000000 ] - [ 0.0003623400000000, 0.0001145100000000, 0.0001100800000000 ] - [ 0.0001910400000000, -0.0000784000000000, -0.0001791400000000 ] - [ -0.0001073400000000, -0.0001309100000000, -0.0000220200000000 ] - [ 0.0068773900000000, 0.0017679600000000, -0.0000309200000000 ] - [ 0.0000052500000000, -0.0000261800000000, -0.0002197300000000 ] - [ 0.0020656300000000, -0.0019149500000000, 0.0033115200000000 ] - [ 0.0003353400000000, 0.0003805200000000, 0.0013975700000000 ] - [ -0.0017876700000000, 0.0004141900000000, 0.0001113800000000 ] - [ 0.0000988700000000, -0.0000849800000000, -0.0004598300000000 ] - [ -0.0011367400000000, -0.0010683200000000, -0.0004182200000000 ] - [ -0.0005690500000000, 0.0000180800000000, 0.0002090300000000 ] - [ -0.0006020600000000, -0.0003093600000000, 0.0003043100000000 ] - [ -0.0002737800000000, -0.0000712100000000, -0.0000318100000000 ] - [ -0.0003822500000000, 0.0006608200000000, -0.0010204600000000 ] - [ -0.0000295600000000, 0.0001747000000000, -0.0000903700000000 ]- atom: 29 displacement: [ -0.0099999386121055, 0.0000000000000000, 0.0000350393225009 ] forces: - [ 0.0008735800000000, -0.0002337300000000, 0.0005954500000000 ] - [ 0.0002244200000000, -0.0000016300000000, 0.0001764300000000 ] - [ 0.0017001700000000, -0.0005036500000000, 0.0003552600000000 ] - [ 0.0002941300000000, -0.0000964300000000, 0.0003024000000000 ] - [ -0.0046877300000000, -0.0014857200000000, -0.0062036000000000 ] - [ -0.0005256000000000, 0.0000179900000000, 0.0002968000000000 ] - [ -0.0059774000000000, 0.0000083600000000, 0.0080588100000000 ] - [ 0.0007897200000000, -0.0002830800000000, -0.0001585600000000 ] - [ 0.0008410400000000, 0.0003416500000000, 0.0000321700000000 ] - [ 0.0004448300000000, 0.0001801300000000, 0.0001207200000000 ] - [ -0.0001666200000000, 0.0000236200000000, 0.0001082000000000 ] - [ -0.0001964700000000, 0.0000464900000000, -0.0000246000000000 ] - [ -0.0061879500000000, 0.0064355400000000, -0.0000894100000000 ] - [ 0.0003189700000000, 0.0001496900000000, 0.0000124800000000 ] - [ 0.0005933300000000, 0.0000643400000000, -0.0000953200000000 ] - [ 0.0001411900000000, -0.0007356600000000, 0.0005700800000000 ] - [ -0.0000302200000000, -0.0006650000000000, 0.0003400700000000 ] - [ -0.0001952600000000, -0.0000785300000000, 0.0000446100000000 ] - [ 0.0004381600000000, 0.0000052100000000, -0.0001734100000000 ] - [ 0.0002873800000000, 0.0000226000000000, 0.0001000800000000 ] - [ -0.0003772300000000, -0.0001374500000000, -0.0001904800000000 ] - [ -0.0003301600000000, 0.0000135300000000, 0.0001858300000000 ] - [ -0.0008938300000000, 0.0010347700000000, -0.0004180100000000 ] - [ 0.0001334400000000, 0.0001309500000000, -0.0002898900000000 ] - [ -0.0000099200000000, 0.0000887900000000, -0.0006226000000000 ] - [ -0.0000908100000000, -0.0000507500000000, -0.0000790900000000 ] - [ -0.0006151500000000, -0.0004009000000000, 0.0002668000000000 ] - [ -0.0002617200000000, -0.0000982800000000, 0.0000782900000000 ] - [ 0.0764200700000000, -0.0434259800000000, 0.0049994000000000 ] - [ 0.0004745600000000, -0.0002713000000000, 0.0002553200000000 ] - [ -0.0002994100000000, -0.0003806000000000, 0.0015782300000000 ] - [ 0.0009641600000000, -0.0001607500000000, -0.0000259200000000 ] - [ 0.0023454900000000, 0.0007352600000000, -0.0007370600000000 ] - [ 0.0001908900000000, 0.0007216800000000, 0.0002279200000000 ] - [ 0.0003634900000000, -0.0004094400000000, 0.0000264400000000 ] - [ 0.0001246600000000, -0.0005950400000000, 0.0000301600000000 ] - [ 0.0004766900000000, 0.0003313000000000, 0.0003416900000000 ] - [ 0.0004783900000000, 0.0003001900000000, 0.0002468300000000 ] - [ 0.0001946200000000, 0.0001784100000000, -0.0000030400000000 ] - [ -0.0001431700000000, 0.0001647500000000, -0.0000245100000000 ] - [ -0.0005001100000000, -0.0002238000000000, -0.0001960200000000 ] - [ -0.0002180000000000, -0.0000202600000000, -0.0001972500000000 ] - [ -0.0003811900000000, 0.0001504600000000, -0.0002312700000000 ] - [ -0.0001658400000000, 0.0000553400000000, -0.0001615900000000 ] - [ -0.0006220700000000, 0.0000542800000000, 0.0001436400000000 ] - [ -0.0004369300000000, -0.0000801500000000, -0.0001216500000000 ] - [ 0.0001011800000000, 0.0000504400000000, -0.0001034800000000 ] - [ 0.0002523600000000, -0.0000389000000000, 0.0000085300000000 ] - [ -0.0002748000000000, 0.0001261400000000, 0.0002187300000000 ] - [ 0.0001444200000000, 0.0000217700000000, -0.0003902200000000 ] - [ -0.0015066100000000, 0.0000051100000000, -0.0001840100000000 ] - [ -0.0005824600000000, 0.0000108900000000, 0.0000202600000000 ] - [ -0.0006024200000000, 0.0007944000000000, 0.0005317300000000 ] - [ 0.0001824300000000, 0.0001334200000000, -0.0000728400000000 ] - [ -0.0004541800000000, 0.0000549000000000, 0.0001019400000000 ] - [ -0.0003026500000000, -0.0000674600000000, -0.0000919100000000 ] - [ -0.0018660300000000, -0.0001141100000000, -0.0001917700000000 ] - [ -0.0003322600000000, -0.0001653500000000, -0.0000785100000000 ] - [ -0.0005467400000000, -0.0001249600000000, 0.0004959800000000 ] - [ -0.0002265000000000, -0.0001380000000000, -0.0003562500000000 ] - [ -0.0004918400000000, -0.0003223400000000, 0.0012371300000000 ] - [ 0.0001558600000000, -0.0005128200000000, -0.0003737100000000 ] - [ -0.0040257800000000, 0.0057651100000000, -0.0011470700000000 ] - [ 0.0001947300000000, 0.0001322600000000, 0.0000476500000000 ] - [ 0.0003403600000000, 0.0002234400000000, 0.0002149300000000 ] - [ 0.0003755800000000, 0.0007684500000000, -0.0005049600000000 ] - [ -0.0000370800000000, -0.0009898200000000, 0.0000236000000000 ] - [ -0.0001336500000000, -0.0001207400000000, 0.0002282400000000 ] - [ -0.0003367700000000, 0.0002486500000000, 0.0000216900000000 ] - [ 0.0001435400000000, -0.0001337800000000, 0.0000064100000000 ] - [ -0.0004391200000000, -0.0001662000000000, -0.0002061400000000 ] - [ -0.0004371600000000, -0.0001927600000000, -0.0001724200000000 ] - [ -0.0003573800000000, 0.0006259200000000, 0.0001004600000000 ] - [ -0.0001627900000000, 0.0006464300000000, -0.0001498200000000 ] - [ -0.0007166400000000, -0.0006189000000000, 0.0000852000000000 ] - [ -0.0003109100000000, -0.0006748000000000, -0.0000809100000000 ] - [ -0.0002460800000000, 0.0000560600000000, -0.0001777400000000 ] - [ -0.0002489400000000, 0.0000566200000000, -0.0000932000000000 ] - [ -0.0010379200000000, 0.0002758100000000, -0.0000554100000000 ] - [ -0.0004161200000000, 0.0001838000000000, -0.0002834200000000 ] - [ -0.0201047400000000, 0.0137396600000000, -0.0185794500000000 ] - [ -0.0003525300000000, 0.0000731800000000, -0.0001770600000000 ] - [ -0.0025628800000000, 0.0024767300000000, -0.0018231700000000 ] - [ -0.0007401600000000, -0.0002838800000000, -0.0004443800000000 ] - [ -0.0004753200000000, -0.0001479200000000, -0.0000084100000000 ] - [ 0.0000416400000000, -0.0001405500000000, -0.0001599800000000 ] - [ -0.0003496500000000, -0.0001415900000000, -0.0000879300000000 ] - [ -0.0004810200000000, -0.0002458300000000, 0.0000542100000000 ] - [ -0.0228329400000000, 0.0203659400000000, 0.0166476400000000 ] - [ -0.0001414100000000, -0.0003870300000000, -0.0001940800000000 ] - [ -0.0028345300000000, 0.0016883300000000, 0.0014841300000000 ] - [ -0.0001118400000000, 0.0000531300000000, -0.0003967100000000 ] - [ -0.0006980900000000, 0.0005160100000000, -0.0003606900000000 ] - [ -0.0003324500000000, 0.0002511600000000, -0.0000378100000000 ] - [ -0.0005103100000000, 0.0002066400000000, -0.0003572600000000 ] - [ -0.0001160300000000, 0.0001550300000000, -0.0003053800000000 ] - [ 0.0005260500000000, -0.0001315400000000, -0.0003049000000000 ] - [ -0.0000375300000000, 0.0000550000000000, 0.0001929000000000 ] - [ 0.0005070700000000, -0.0000030400000000, -0.0000195300000000 ] - [ 0.0004130300000000, 0.0001293400000000, -0.0000726400000000 ] - [ 0.0012006300000000, -0.0003371000000000, -0.0003842100000000 ] - [ 0.0004439800000000, 0.0001182700000000, 0.0001645200000000 ] - [ 0.0005986800000000, -0.0004551200000000, 0.0005054800000000 ] - [ 0.0004521200000000, 0.0003596400000000, 0.0000122300000000 ] - [ 0.0006927300000000, -0.0006247700000000, 0.0004505500000000 ] - [ 0.0002879600000000, -0.0002696100000000, 0.0000532200000000 ] - [ 0.0001877800000000, -0.0004233600000000, 0.0000941200000000 ] - [ 0.0000337100000000, -0.0002010700000000, 0.0002068100000000 ] - [ 0.0006592800000000, 0.0006694400000000, -0.0003336100000000 ] - [ 0.0000353700000000, 0.0003915700000000, 0.0001290100000000 ] - [ 0.0007350300000000, 0.0001152900000000, -0.0001789300000000 ] - [ 0.0005556100000000, 0.0002536800000000, 0.0002320500000000 ] - [ 0.0018767600000000, 0.0001089700000000, 0.0006721700000000 ] - [ 0.0002724900000000, 0.0000278600000000, 0.0003263900000000 ] - [ 0.0006452600000000, 0.0005508000000000, -0.0004418200000000 ] - [ -0.0002120000000000, 0.0002306700000000, 0.0002146300000000 ] - [ 0.0000085700000000, -0.0000441600000000, -0.0000819200000000 ] - [ -0.0001121200000000, -0.0001037600000000, -0.0001192900000000 ] - [ 0.0004719900000000, -0.0001304900000000, 0.0000155600000000 ] - [ 0.0002399300000000, -0.0001834800000000, 0.0003571600000000 ] - [ -0.0003768300000000, -0.0014173700000000, 0.0004583500000000 ] - [ 0.0001425700000000, -0.0000920300000000, -0.0002382500000000 ] - [ -0.0003658400000000, -0.0000128900000000, 0.0001171200000000 ] - [ -0.0003200900000000, -0.0000609600000000, 0.0002137600000000 ] - [ -0.0034311600000000, -0.0021464100000000, -0.0001838800000000 ] - [ -0.0001305000000000, 0.0000889700000000, -0.0000348500000000 ] - [ 0.0006000100000000, -0.0003940900000000, -0.0015727600000000 ] - [ -0.0001432500000000, -0.0002256000000000, 0.0002658400000000 ] - [ -0.0003903900000000, -0.0009539400000000, -0.0006530400000000 ] - [ -0.0000115700000000, -0.0000009400000000, 0.0002303400000000 ] - [ -0.0005400300000000, 0.0001947800000000, -0.0001646500000000 ] - [ -0.0002531000000000, 0.0002315900000000, -0.0003206700000000 ] - [ -0.0068810000000000, -0.0017043400000000, -0.0003579000000000 ] - [ -0.0003585300000000, -0.0000893400000000, -0.0001261700000000 ] - [ -0.0017065700000000, 0.0018089500000000, -0.0030060400000000 ] - [ 0.0000197600000000, -0.0004876700000000, -0.0010628200000000 ] - [ 0.0021089300000000, -0.0004890000000000, -0.0004603200000000 ] - [ 0.0002191900000000, 0.0000141800000000, 0.0001156400000000 ] - [ 0.0008122900000000, 0.0009868700000000, 0.0007675900000000 ] - [ 0.0002365000000000, -0.0000898300000000, 0.0001410900000000 ] - [ 0.0002757300000000, 0.0003814800000000, 0.0000449500000000 ] - [ -0.0000395100000000, 0.0001487300000000, 0.0003836600000000 ] - [ 0.0007001100000000, -0.0005877500000000, 0.0006761200000000 ] - [ 0.0003549300000000, -0.0001012400000000, -0.0002562500000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000807000000000, 0.0017459400000000, -0.0004922200000000 ] - [ 0.0000860500000000, 0.0000645100000000, 0.0002955500000000 ] - [ 0.0007598300000000, 0.0050790000000000, 0.0066997000000000 ] - [ 0.0000569900000000, -0.0001863000000000, 0.0000010700000000 ] - [ -0.0002715200000000, -0.0020254300000000, -0.0001967000000000 ] - [ -0.0005094800000000, -0.0002301500000000, 0.0000207300000000 ] - [ 0.0005041900000000, -0.0020618000000000, 0.0005970200000000 ] - [ 0.0005938800000000, -0.0004933000000000, -0.0001654200000000 ] - [ 0.0004335300000000, 0.0008234800000000, 0.0001598100000000 ] - [ 0.0003671100000000, 0.0002601700000000, 0.0001143000000000 ] - [ -0.0001454000000000, 0.0005451200000000, -0.0000933100000000 ] - [ -0.0002930200000000, 0.0002953100000000, -0.0000082000000000 ] - [ -0.0074529400000000, 0.0041897100000000, -0.0001631400000000 ] - [ 0.0003061100000000, 0.0000068600000000, -0.0001212700000000 ] - [ -0.0001812800000000, 0.0000363700000000, 0.0014257900000000 ] - [ 0.0004751500000000, -0.0004465200000000, -0.0002998900000000 ] - [ -0.0002255000000000, 0.0014556900000000, -0.0001738600000000 ] - [ -0.0002438500000000, 0.0000386600000000, 0.0000214400000000 ] - [ 0.0001026200000000, 0.0006547400000000, -0.0003502600000000 ] - [ 0.0002853200000000, 0.0001937800000000, 0.0000386700000000 ] - [ 0.0002250800000000, 0.0005382500000000, 0.0008339700000000 ] - [ -0.0001044900000000, 0.0001941100000000, 0.0001178000000000 ] - [ -0.0006908700000000, 0.0010770100000000, -0.0004139300000000 ] - [ 0.0001248400000000, 0.0001948600000000, -0.0003191100000000 ] - [ -0.0000865400000000, -0.0001762800000000, -0.0005522300000000 ] - [ 0.0000426600000000, -0.0000907900000000, -0.0000763800000000 ] - [ 0.0007069000000000, -0.0001502100000000, -0.0001650400000000 ] - [ -0.0001703100000000, -0.0001037300000000, 0.0002327900000000 ] - [ 0.0436232000000000, -0.0762895500000000, 0.0042383400000000 ] - [ 0.0003278600000000, -0.0003237000000000, 0.0001049200000000 ] - [ -0.0004456100000000, -0.0011150900000000, 0.0001885600000000 ] - [ -0.0002280000000000, -0.0014779300000000, -0.0002618400000000 ] - [ 0.0014226400000000, 0.0054732600000000, -0.0080946000000000 ] - [ -0.0000206900000000, 0.0004885500000000, 0.0001425800000000 ] - [ -0.0000867400000000, 0.0000138900000000, 0.0002054900000000 ] - [ 0.0000893500000000, -0.0003483800000000, -0.0000532400000000 ] - [ 0.0003645200000000, 0.0008508500000000, 0.0004423900000000 ] - [ 0.0003895000000000, 0.0008432000000000, -0.0000290400000000 ] - [ -0.0002446300000000, 0.0009569700000000, -0.0000967100000000 ] - [ -0.0002201100000000, 0.0003208400000000, -0.0001317300000000 ] - [ -0.0000009900000000, -0.0001816200000000, 0.0000988100000000 ] - [ -0.0000880900000000, -0.0001056300000000, -0.0001090100000000 ] - [ -0.0001157200000000, 0.0002982200000000, -0.0001382500000000 ] - [ 0.0000599200000000, 0.0001676900000000, 0.0000725600000000 ] - [ -0.0003827700000000, 0.0002828000000000, 0.0001659900000000 ] - [ -0.0003539400000000, 0.0001591200000000, 0.0000884400000000 ] - [ 0.0002382100000000, 0.0002265900000000, -0.0001197500000000 ] - [ 0.0003422300000000, 0.0000356300000000, -0.0000051000000000 ] - [ 0.0000761800000000, -0.0001700700000000, 0.0000639200000000 ] - [ 0.0002513100000000, -0.0001478100000000, -0.0001490900000000 ] - [ -0.0001726000000000, -0.0006282100000000, 0.0003786000000000 ] - [ -0.0003569300000000, -0.0000262500000000, -0.0000330000000000 ] - [ -0.0006897900000000, 0.0008610400000000, 0.0006250000000000 ] - [ 0.0001680700000000, 0.0002213400000000, -0.0000433200000000 ] - [ -0.0001864000000000, 0.0002142500000000, -0.0000425500000000 ] - [ -0.0000459500000000, 0.0002070100000000, 0.0000418400000000 ] - [ 0.0002788900000000, -0.0003616500000000, 0.0003005300000000 ] - [ -0.0002058000000000, -0.0002421100000000, 0.0000031500000000 ] - [ 0.0000567400000000, -0.0003066900000000, 0.0002162500000000 ] - [ -0.0003919600000000, -0.0004415600000000, -0.0002037500000000 ] - [ -0.0000600900000000, 0.0000652900000000, -0.0002403000000000 ] - [ 0.0003883200000000, -0.0002781500000000, 0.0005867500000000 ] - [ -0.0058182100000000, 0.0046748500000000, -0.0012219300000000 ] - [ 0.0002079800000000, -0.0000126800000000, -0.0001491900000000 ] - [ -0.0000924000000000, -0.0000093900000000, 0.0002096800000000 ] - [ 0.0001272000000000, 0.0006521900000000, -0.0006870100000000 ] - [ 0.0002941400000000, 0.0001302200000000, 0.0002345500000000 ] - [ -0.0001455000000000, -0.0000706800000000, 0.0001695000000000 ] - [ -0.0001903300000000, 0.0003746400000000, 0.0000541700000000 ] - [ 0.0001958100000000, -0.0000541000000000, 0.0000773400000000 ] - [ -0.0002294500000000, 0.0000897000000000, -0.0000933500000000 ] - [ -0.0002554700000000, -0.0000122200000000, -0.0001349200000000 ] - [ -0.0001480000000000, 0.0008059600000000, 0.0001168300000000 ] - [ -0.0000837700000000, 0.0007381800000000, -0.0001161100000000 ] - [ -0.0002007800000000, -0.0009433600000000, 0.0000261400000000 ] - [ -0.0000390900000000, -0.0007439400000000, -0.0000302500000000 ] - [ 0.0001189800000000, -0.0000420200000000, -0.0000381200000000 ] - [ 0.0001168300000000, -0.0000409400000000, 0.0001839600000000 ] - [ -0.0003367400000000, -0.0002552600000000, -0.0000362800000000 ] - [ -0.0002491200000000, 0.0000794800000000, -0.0001757300000000 ] - [ -0.0137771600000000, 0.0170831300000000, -0.0160501200000000 ] - [ -0.0001849900000000, 0.0002707700000000, 0.0000074200000000 ] - [ -0.0022603900000000, 0.0030560100000000, 0.0014891800000000 ] - [ 0.0004190000000000, 0.0006638200000000, -0.0004832500000000 ] - [ 0.0003803500000000, -0.0010429300000000, -0.0003568900000000 ] - [ 0.0000555100000000, -0.0003171100000000, -0.0000547200000000 ] - [ -0.0000491500000000, -0.0007021700000000, -0.0001689200000000 ] - [ -0.0006130600000000, -0.0006194600000000, 0.0001024300000000 ] - [ -0.0192847700000000, 0.0281933600000000, 0.0187798000000000 ] - [ 0.0000777800000000, -0.0001864300000000, 0.0000033300000000 ] - [ -0.0023347900000000, 0.0026346400000000, -0.0016830800000000 ] - [ 0.0000703500000000, 0.0002825500000000, 0.0001555100000000 ] - [ -0.0007788200000000, -0.0006136100000000, -0.0004960200000000 ] - [ -0.0003349000000000, 0.0000878800000000, -0.0000649000000000 ] - [ 0.0007107500000000, -0.0005399500000000, 0.0004962700000000 ] - [ 0.0002820700000000, -0.0000595300000000, -0.0003751900000000 ] - [ 0.0003206400000000, -0.0003908700000000, -0.0003753100000000 ] - [ -0.0001673300000000, -0.0001048900000000, 0.0001089500000000 ] - [ 0.0002385000000000, -0.0002523300000000, -0.0000085100000000 ] - [ 0.0001961800000000, -0.0000825000000000, -0.0000815100000000 ] - [ 0.0001941400000000, 0.0004237500000000, 0.0000276200000000 ] - [ 0.0001937400000000, 0.0001180800000000, 0.0000281100000000 ] - [ 0.0000712600000000, 0.0005715500000000, -0.0001984400000000 ] - [ 0.0000214800000000, 0.0001840000000000, 0.0000642200000000 ] - [ 0.0004476100000000, -0.0007766900000000, 0.0003576300000000 ] - [ 0.0001861400000000, -0.0004714000000000, -0.0000370900000000 ] - [ -0.0000047800000000, -0.0005737300000000, 0.0001069600000000 ] - [ -0.0004078300000000, -0.0007063300000000, -0.0001765000000000 ] - [ -0.0003434400000000, 0.0007238100000000, -0.0002823100000000 ] - [ -0.0001454100000000, 0.0004238600000000, 0.0001083800000000 ] - [ 0.0002389500000000, 0.0003763800000000, -0.0001965900000000 ] - [ 0.0003435600000000, 0.0005554900000000, 0.0001746600000000 ] - [ 0.0013941000000000, 0.0006605900000000, 0.0007428800000000 ] - [ 0.0002050900000000, 0.0001367000000000, 0.0002028700000000 ] - [ -0.0002491400000000, 0.0003058600000000, -0.0001350300000000 ] - [ -0.0003844300000000, 0.0003852900000000, -0.0002744400000000 ] - [ -0.0004395100000000, -0.0006152100000000, -0.0002353300000000 ] - [ -0.0001469700000000, -0.0001899900000000, -0.0001401800000000 ] - [ 0.0002335900000000, -0.0002903000000000, 0.0000095800000000 ] - [ 0.0002883400000000, -0.0002905200000000, 0.0002893600000000 ] - [ 0.0002013200000000, -0.0017241800000000, 0.0001624800000000 ] - [ 0.0000967100000000, -0.0001425400000000, -0.0001749100000000 ] - [ -0.0008259000000000, -0.0008097200000000, 0.0006135200000000 ] - [ -0.0000292000000000, -0.0004377600000000, -0.0000000200000000 ] - [ 0.0015735100000000, 0.0052377700000000, 0.0001591800000000 ] - [ -0.0001759800000000, 0.0000012400000000, 0.0003333900000000 ] - [ 0.0005911800000000, -0.0002588700000000, -0.0015216000000000 ] - [ 0.0007391600000000, 0.0002350600000000, 0.0010729300000000 ] - [ 0.0004854300000000, -0.0020275400000000, -0.0002163100000000 ] - [ 0.0000841500000000, -0.0000344100000000, 0.0003724600000000 ] - [ -0.0011694600000000, -0.0010174100000000, -0.0006135900000000 ] - [ -0.0002919200000000, -0.0000367100000000, -0.0000458900000000 ] - [ 0.0023987800000000, 0.0030355500000000, -0.0005681800000000 ] - [ -0.0001314700000000, 0.0001630000000000, -0.0002587800000000 ] - [ -0.0021294800000000, 0.0028669200000000, -0.0044298100000000 ] - [ 0.0002713800000000, 0.0003428800000000, -0.0000864200000000 ] - [ 0.0012903500000000, 0.0006623500000000, -0.0011032100000000 ] - [ 0.0001838100000000, 0.0000839400000000, 0.0001143900000000 ] - [ -0.0001570500000000, 0.0003043100000000, 0.0001573000000000 ] - [ -0.0000892300000000, 0.0000849900000000, 0.0002524400000000 ] - [ -0.0002458000000000, -0.0000976700000000, 0.0002663800000000 ] - [ -0.0001664200000000, -0.0000543300000000, 0.0001088400000000 ] - [ 0.0007537200000000, -0.0006913900000000, 0.0007362800000000 ] - [ 0.0002521800000000, -0.0000289100000000, -0.0002814600000000 ]- atom: 29 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000846500000000, -0.0018113100000000, 0.0004834900000000 ] - [ -0.0000762300000000, -0.0001476000000000, -0.0002838800000000 ] - [ -0.0007561800000000, -0.0049509900000000, -0.0066433900000000 ] - [ -0.0000658900000000, 0.0002693200000000, -0.0000142300000000 ] - [ -0.0004935400000000, 0.0018452600000000, 0.0001439800000000 ] - [ -0.0002395200000000, 0.0000551700000000, -0.0000512000000000 ] - [ 0.0002740700000000, 0.0018957900000000, -0.0005995000000000 ] - [ 0.0001570000000000, 0.0003233500000000, 0.0001828600000000 ] - [ 0.0003023800000000, -0.0006537600000000, -0.0001348900000000 ] - [ 0.0003809400000000, -0.0000852700000000, -0.0000848000000000 ] - [ -0.0006080400000000, -0.0003755600000000, 0.0000708500000000 ] - [ -0.0004534100000000, -0.0001259900000000, -0.0000154600000000 ] - [ 0.0080043300000000, -0.0040158900000000, 0.0001171100000000 ] - [ 0.0001389700000000, 0.0002141000000000, 0.0000900800000000 ] - [ -0.0002721600000000, 0.0001832000000000, -0.0013910400000000 ] - [ -0.0009171700000000, 0.0006758800000000, 0.0003272700000000 ] - [ -0.0002163800000000, -0.0016819100000000, 0.0002093700000000 ] - [ -0.0002001400000000, -0.0002588100000000, 0.0000087800000000 ] - [ 0.0003481000000000, -0.0008719100000000, 0.0003106300000000 ] - [ 0.0001664200000000, -0.0004117500000000, -0.0000740700000000 ] - [ -0.0006000500000000, -0.0003893700000000, -0.0005003300000000 ] - [ -0.0002629700000000, -0.0000370300000000, 0.0002260100000000 ] - [ 0.0010540000000000, -0.0009131300000000, 0.0000597800000000 ] - [ 0.0002369000000000, -0.0000305000000000, -0.0000344700000000 ] - [ 0.0004592700000000, 0.0000250700000000, 0.0002120000000000 ] - [ 0.0003205300000000, -0.0000686800000000, -0.0002774100000000 ] - [ -0.0010858000000000, 0.0000040700000000, 0.0005056300000000 ] - [ -0.0002023500000000, -0.0000437600000000, 0.0001027500000000 ] - [ -0.0426114300000000, 0.0757337900000000, -0.0052055900000000 ] - [ 0.0001564000000000, -0.0000517500000000, 0.0001438800000000 ] - [ -0.0000445100000000, 0.0007381900000000, -0.0004397200000000 ] - [ -0.0002607600000000, 0.0010964900000000, 0.0000025400000000 ] - [ -0.0014434400000000, -0.0042832600000000, 0.0081769700000000 ] - [ 0.0000189800000000, 0.0007526100000000, -0.0001438200000000 ] - [ 0.0000905400000000, -0.0012501100000000, -0.0002063000000000 ] - [ -0.0000849800000000, -0.0008863600000000, 0.0000501700000000 ] - [ 0.0001204200000000, -0.0004710300000000, -0.0001801300000000 ] - [ 0.0000904500000000, -0.0004673400000000, 0.0002803200000000 ] - [ -0.0002414500000000, -0.0005822700000000, -0.0001609500000000 ] - [ -0.0002645500000000, 0.0000563800000000, -0.0001204900000000 ] - [ 0.0000105300000000, 0.0000937000000000, -0.0000887500000000 ] - [ 0.0000906600000000, 0.0000263400000000, 0.0001103700000000 ] - [ 0.0001191200000000, -0.0002114500000000, 0.0001433400000000 ] - [ -0.0000531500000000, -0.0000860200000000, -0.0000647100000000 ] - [ -0.0003694400000000, -0.0004520100000000, -0.0001879400000000 ] - [ -0.0003958100000000, -0.0003300200000000, -0.0001107100000000 ] - [ 0.0005040200000000, -0.0004058800000000, 0.0001541600000000 ] - [ 0.0004021900000000, -0.0002137500000000, 0.0000370900000000 ] - [ 0.0006636700000000, 0.0003487200000000, -0.0000310200000000 ] - [ 0.0004914800000000, 0.0003206300000000, 0.0001727000000000 ] - [ -0.0005711400000000, 0.0008016900000000, -0.0003996200000000 ] - [ -0.0003962600000000, 0.0001981100000000, 0.0000113200000000 ] - [ 0.0011423100000000, -0.0006471600000000, -0.0006635000000000 ] - [ 0.0002819100000000, -0.0000044500000000, 0.0000073500000000 ] - [ -0.0002562500000000, 0.0000108400000000, 0.0000724400000000 ] - [ -0.0003946400000000, 0.0000153400000000, -0.0000121300000000 ] - [ -0.0007258300000000, 0.0001398100000000, -0.0002691800000000 ] - [ -0.0002382200000000, 0.0000185000000000, 0.0000276700000000 ] - [ 0.0003903600000000, 0.0000845900000000, -0.0002497800000000 ] - [ 0.0008374500000000, 0.0002225800000000, 0.0001721100000000 ] - [ -0.0002991400000000, 0.0000963000000000, 0.0006038400000000 ] - [ -0.0007479000000000, 0.0004345300000000, -0.0002335400000000 ] - [ 0.0061277600000000, -0.0044746900000000, 0.0008700100000000 ] - [ 0.0001661800000000, 0.0001639100000000, -0.0001832400000000 ] - [ 0.0004536400000000, -0.0001557200000000, -0.0005687900000000 ] - [ 0.0002438000000000, -0.0008055600000000, 0.0003446000000000 ] - [ -0.0006572000000000, -0.0002914700000000, 0.0001132800000000 ] - [ -0.0002250900000000, -0.0000847600000000, 0.0001664200000000 ] - [ 0.0006758100000000, -0.0007552000000000, 0.0002002800000000 ] - [ 0.0002888900000000, -0.0003253700000000, 0.0001825200000000 ] - [ -0.0002579700000000, -0.0004691800000000, -0.0001580300000000 ] - [ -0.0002336300000000, -0.0003673100000000, -0.0001195800000000 ] - [ 0.0001462600000000, 0.0004277700000000, -0.0001135000000000 ] - [ 0.0000835800000000, 0.0004990600000000, 0.0001180600000000 ] - [ 0.0002012500000000, -0.0002940300000000, -0.0000230800000000 ] - [ 0.0000431800000000, -0.0004951600000000, 0.0000293200000000 ] - [ 0.0003634900000000, 0.0004197100000000, 0.0002950200000000 ] - [ 0.0003708700000000, 0.0004220100000000, 0.0000736100000000 ] - [ -0.0001482400000000, 0.0006361000000000, -0.0002134900000000 ] - [ -0.0002341500000000, 0.0002966300000000, -0.0000799200000000 ] - [ 0.0139640300000000, -0.0171192900000000, 0.0166852700000000 ] - [ -0.0001238200000000, -0.0001071400000000, 0.0001145700000000 ] - [ 0.0025820800000000, -0.0029029400000000, -0.0016069700000000 ] - [ -0.0001118000000000, -0.0004975000000000, 0.0003593700000000 ] - [ -0.0000669800000000, 0.0008805200000000, 0.0002372800000000 ] - [ 0.0002502200000000, 0.0001508200000000, -0.0000643100000000 ] - [ -0.0002603900000000, 0.0005351700000000, 0.0002956200000000 ] - [ 0.0003018200000000, 0.0004572100000000, 0.0000198300000000 ] - [ 0.0186825000000000, -0.0281480400000000, -0.0181532900000000 ] - [ 0.0002220800000000, -0.0003720800000000, -0.0001133500000000 ] - [ 0.0020180600000000, -0.0031827700000000, 0.0018085900000000 ] - [ -0.0003765600000000, -0.0008469000000000, -0.0000412200000000 ] - [ 0.0004795300000000, 0.0011780700000000, 0.0006054100000000 ] - [ 0.0000294100000000, 0.0004727300000000, 0.0001783700000000 ] - [ -0.0004004600000000, 0.0011092900000000, -0.0006101100000000 ] - [ 0.0000162900000000, 0.0006231000000000, 0.0002611900000000 ] - [ -0.0006286200000000, 0.0005592400000000, 0.0004995600000000 ] - [ -0.0001437400000000, 0.0002742900000000, 0.0000144900000000 ] - [ 0.0000719100000000, 0.0004181100000000, -0.0001115000000000 ] - [ 0.0001128600000000, 0.0002471200000000, -0.0000382900000000 ] - [ 0.0001168600000000, -0.0005878000000000, -0.0001510400000000 ] - [ 0.0001187200000000, -0.0002818600000000, -0.0001517600000000 ] - [ -0.0003848200000000, -0.0007371400000000, 0.0003210400000000 ] - [ -0.0003335700000000, -0.0003495000000000, 0.0000603700000000 ] - [ -0.0001467200000000, 0.0002148000000000, -0.0004735800000000 ] - [ 0.0001166600000000, -0.0000900600000000, -0.0000793100000000 ] - [ -0.0002921200000000, 0.0000116600000000, 0.0000034000000000 ] - [ 0.0001095400000000, 0.0001449800000000, 0.0002887300000000 ] - [ 0.0000469200000000, -0.0001695300000000, 0.0003975100000000 ] - [ -0.0001529900000000, 0.0001357400000000, 0.0000055100000000 ] - [ 0.0000634200000000, 0.0001862700000000, 0.0000796800000000 ] - [ -0.0000405300000000, 0.0000049300000000, -0.0002902500000000 ] - [ -0.0010421100000000, -0.0005386400000000, -0.0004041100000000 ] - [ 0.0001472800000000, -0.0000122200000000, 0.0001384800000000 ] - [ -0.0001066000000000, -0.0001811600000000, -0.0002070100000000 ] - [ 0.0000341200000000, -0.0002595900000000, -0.0000656900000000 ] - [ 0.0000883700000000, 0.0004833900000000, -0.0001056400000000 ] - [ -0.0002070200000000, 0.0000597000000000, -0.0001999100000000 ] - [ 0.0001155200000000, 0.0001627200000000, 0.0003322800000000 ] - [ 0.0000613800000000, 0.0001619300000000, 0.0000528200000000 ] - [ 0.0000675700000000, 0.0016581300000000, -0.0005312400000000 ] - [ 0.0001713400000000, 0.0000704600000000, -0.0001854600000000 ] - [ 0.0005650700000000, 0.0007381100000000, -0.0002515200000000 ] - [ -0.0002326800000000, 0.0003656500000000, 0.0003669600000000 ] - [ -0.0020016300000000, -0.0054312400000000, 0.0001676200000000 ] - [ -0.0000945700000000, 0.0000697900000000, 0.0000272900000000 ] - [ -0.0003236500000000, 0.0003250300000000, 0.0011671800000000 ] - [ -0.0004730400000000, -0.0001719100000000, -0.0014356000000000 ] - [ -0.0001361900000000, 0.0021602200000000, 0.0005565200000000 ] - [ 0.0002695100000000, 0.0001646600000000, -0.0000280300000000 ] - [ 0.0008130100000000, 0.0011486500000000, 0.0002747400000000 ] - [ -0.0000634400000000, 0.0001657200000000, -0.0002948900000000 ] - [ -0.0026983600000000, -0.0031646000000000, 0.0002149600000000 ] - [ -0.0002242500000000, -0.0002905100000000, -0.0000844200000000 ] - [ 0.0024468100000000, -0.0029936600000000, 0.0046828700000000 ] - [ 0.0000790800000000, -0.0004676200000000, 0.0004324000000000 ] - [ -0.0010267400000000, -0.0007256400000000, 0.0007411200000000 ] - [ 0.0000864700000000, -0.0001541500000000, -0.0004763900000000 ] - [ -0.0001097300000000, -0.0003691700000000, 0.0002081400000000 ] - [ -0.0001824600000000, -0.0001549200000000, 0.0001081900000000 ] - [ -0.0000223600000000, 0.0001704400000000, 0.0000935600000000 ] - [ -0.0000968900000000, 0.0001269200000000, 0.0002569100000000 ] - [ -0.0004870600000000, 0.0007602400000000, -0.0011003100000000 ] - [ 0.0000150000000000, 0.0001007300000000, -0.0000805000000000 ]- atom: 29 displacement: [ -0.0026967483687124, 0.0000000000000000, 0.0096295144340640 ] forces: - [ -0.0001524200000000, -0.0012875400000000, -0.0001554800000000 ] - [ 0.0000502100000000, 0.0001324400000000, 0.0003277300000000 ] - [ 0.0000972100000000, 0.0052586800000000, 0.0026916100000000 ] - [ 0.0000278600000000, -0.0002293600000000, 0.0004127400000000 ] - [ 0.0048903100000000, 0.0006310700000000, 0.0025434000000000 ] - [ -0.0009257100000000, -0.0000085300000000, 0.0006503300000000 ] - [ -0.0081120600000000, 0.0007412600000000, 0.0057060600000000 ] - [ 0.0002681300000000, -0.0001807200000000, 0.0007548500000000 ] - [ 0.0004943100000000, -0.0002104600000000, -0.0002994700000000 ] - [ 0.0002660700000000, 0.0001651800000000, 0.0002388100000000 ] - [ -0.0005521100000000, -0.0000007500000000, -0.0001419000000000 ] - [ -0.0003843800000000, 0.0000407800000000, 0.0001942100000000 ] - [ -0.0032119000000000, 0.0030460800000000, -0.0017820700000000 ] - [ 0.0000398100000000, 0.0001692100000000, 0.0004992700000000 ] - [ 0.0000653800000000, 0.0015551000000000, 0.0016369500000000 ] - [ -0.0007002300000000, -0.0004585900000000, 0.0007744900000000 ] - [ -0.0002132700000000, -0.0001833700000000, -0.0004866500000000 ] - [ -0.0003492200000000, -0.0000658600000000, 0.0003143700000000 ] - [ 0.0005433300000000, -0.0005132200000000, 0.0001104000000000 ] - [ 0.0001228300000000, -0.0000638500000000, 0.0000606800000000 ] - [ -0.0000676000000000, 0.0001447500000000, 0.0001233300000000 ] - [ -0.0003709900000000, -0.0000768800000000, 0.0001844000000000 ] - [ -0.0001643500000000, 0.0004211400000000, -0.0004641300000000 ] - [ 0.0002755700000000, 0.0000019300000000, 0.0001004700000000 ] - [ 0.0004037000000000, -0.0002440500000000, -0.0003088400000000 ] - [ 0.0001109500000000, -0.0000063100000000, -0.0000482800000000 ] - [ -0.0002890900000000, -0.0001808700000000, -0.0004910900000000 ] - [ -0.0000994500000000, -0.0001193200000000, 0.0005737800000000 ] - [ 0.0155021700000000, -0.0077306200000000, -0.0818381800000000 ] - [ 0.0001690200000000, -0.0002317900000000, 0.0006492400000000 ] - [ -0.0018671800000000, -0.0005347500000000, 0.0021655200000000 ] - [ 0.0000059600000000, -0.0000465500000000, 0.0008016200000000 ] - [ -0.0002516900000000, -0.0057835800000000, 0.0047174900000000 ] - [ -0.0003589100000000, 0.0008688000000000, 0.0006358000000000 ] - [ 0.0000470500000000, -0.0005163900000000, -0.0002027400000000 ] - [ -0.0001267600000000, -0.0006820200000000, 0.0002765300000000 ] - [ 0.0001751900000000, 0.0003715000000000, 0.0002531400000000 ] - [ 0.0000905600000000, -0.0000828800000000, 0.0002294400000000 ] - [ -0.0002334700000000, 0.0002174000000000, -0.0005743200000000 ] - [ -0.0002947600000000, 0.0001755600000000, 0.0001577100000000 ] - [ -0.0000557600000000, 0.0000695000000000, -0.0001390000000000 ] - [ 0.0001231800000000, -0.0001142300000000, 0.0001702900000000 ] - [ -0.0001367700000000, 0.0000087500000000, -0.0001942500000000 ] - [ 0.0001128500000000, 0.0000577700000000, 0.0001456800000000 ] - [ -0.0005034500000000, -0.0001961400000000, -0.0001866000000000 ] - [ -0.0002644000000000, -0.0000962900000000, 0.0001028100000000 ] - [ 0.0003866300000000, 0.0000020300000000, -0.0001717900000000 ] - [ 0.0003929400000000, -0.0001401300000000, 0.0001450200000000 ] - [ 0.0001752800000000, 0.0000917300000000, -0.0000773700000000 ] - [ 0.0005863700000000, 0.0001170100000000, 0.0003349600000000 ] - [ 0.0000620800000000, 0.0003290300000000, -0.0003556800000000 ] - [ -0.0004172400000000, -0.0000377900000000, 0.0002442700000000 ] - [ 0.0003783600000000, 0.0000758400000000, -0.0004101100000000 ] - [ 0.0002325700000000, 0.0000913700000000, 0.0002222800000000 ] - [ -0.0002923000000000, 0.0000457600000000, 0.0001044400000000 ] - [ -0.0000606700000000, 0.0002493300000000, -0.0000515500000000 ] - [ -0.0007885300000000, -0.0001095400000000, -0.0006022400000000 ] - [ -0.0002710200000000, -0.0001079100000000, 0.0003440300000000 ] - [ -0.0003255800000000, 0.0000157500000000, 0.0003127200000000 ] - [ 0.0011005300000000, -0.0000853400000000, 0.0000316700000000 ] - [ -0.0005197500000000, -0.0002041900000000, 0.0004300400000000 ] - [ 0.0001883400000000, 0.0004380400000000, 0.0007672500000000 ] - [ 0.0023550200000000, -0.0018495300000000, -0.0018727500000000 ] - [ 0.0001111100000000, 0.0000364400000000, 0.0004196200000000 ] - [ -0.0000017100000000, 0.0002120700000000, -0.0000874000000000 ] - [ 0.0003070000000000, -0.0013391000000000, 0.0003734500000000 ] - [ -0.0001736800000000, -0.0002236600000000, -0.0006805200000000 ] - [ -0.0001773900000000, -0.0000913900000000, 0.0005294900000000 ] - [ 0.0001738800000000, -0.0001372000000000, -0.0000489400000000 ] - [ 0.0003242300000000, -0.0002245300000000, 0.0002853100000000 ] - [ -0.0001987700000000, -0.0002099800000000, -0.0000990300000000 ] - [ -0.0002332400000000, -0.0001768000000000, -0.0001640300000000 ] - [ 0.0000472600000000, 0.0006587400000000, -0.0001732800000000 ] - [ 0.0000673600000000, 0.0005564300000000, 0.0001488100000000 ] - [ 0.0001110700000000, -0.0006152000000000, -0.0002499500000000 ] - [ -0.0000346000000000, -0.0006382000000000, 0.0002798500000000 ] - [ 0.0003127800000000, 0.0000963800000000, 0.0001515400000000 ] - [ 0.0003865800000000, 0.0003088700000000, 0.0001779400000000 ] - [ -0.0005143100000000, 0.0002991100000000, -0.0005033000000000 ] - [ -0.0001287600000000, 0.0001404100000000, 0.0001732100000000 ] - [ 0.0132246400000000, -0.0118454300000000, 0.0255387400000000 ] - [ -0.0000121300000000, 0.0001148900000000, -0.0005723000000000 ] - [ 0.0005138300000000, 0.0006803100000000, -0.0025805400000000 ] - [ 0.0002291600000000, -0.0003228800000000, -0.0011851600000000 ] - [ 0.0000843700000000, 0.0000122700000000, 0.0003623100000000 ] - [ 0.0003290900000000, -0.0000660800000000, -0.0003674300000000 ] - [ -0.0000387600000000, 0.0000325400000000, 0.0001550100000000 ] - [ -0.0001060600000000, -0.0000617000000000, -0.0002233700000000 ] - [ -0.0231382200000000, 0.0257060800000000, 0.0317178200000000 ] - [ 0.0003720800000000, -0.0001545900000000, -0.0007400300000000 ] - [ -0.0007070900000000, -0.0006160300000000, -0.0017477400000000 ] - [ 0.0006478400000000, 0.0007508100000000, -0.0004785100000000 ] - [ 0.0002331200000000, 0.0006550000000000, 0.0009542400000000 ] - [ -0.0002037000000000, 0.0002030600000000, -0.0003432200000000 ] - [ -0.0001048800000000, 0.0008532700000000, -0.0000901500000000 ] - [ 0.0003587900000000, 0.0001030900000000, -0.0003818700000000 ] - [ -0.0001610000000000, 0.0001092600000000, 0.0003827800000000 ] - [ -0.0002440000000000, 0.0001348000000000, -0.0001373800000000 ] - [ 0.0000880300000000, 0.0000080700000000, 0.0001390200000000 ] - [ 0.0001312200000000, 0.0001597000000000, -0.0001852700000000 ] - [ 0.0003251400000000, -0.0002666900000000, 0.0001091900000000 ] - [ 0.0000345000000000, -0.0001404900000000, -0.0004260300000000 ] - [ -0.0004530600000000, -0.0002733600000000, 0.0003062500000000 ] - [ -0.0000446000000000, 0.0001311700000000, -0.0002570900000000 ] - [ 0.0002813000000000, -0.0003796700000000, 0.0003896800000000 ] - [ 0.0000617500000000, -0.0002411100000000, -0.0002538200000000 ] - [ -0.0000774800000000, -0.0002679000000000, 0.0002246000000000 ] - [ -0.0002512400000000, -0.0002610400000000, -0.0000657000000000 ] - [ -0.0001571500000000, -0.0000092600000000, 0.0006436600000000 ] - [ -0.0002189600000000, 0.0004257900000000, -0.0002455200000000 ] - [ 0.0001853400000000, 0.0001165700000000, -0.0000040200000000 ] - [ 0.0000074200000000, 0.0005137400000000, -0.0002031400000000 ] - [ 0.0005147200000000, 0.0003750400000000, 0.0008674700000000 ] - [ 0.0002431300000000, 0.0000494300000000, -0.0001423600000000 ] - [ 0.0006218900000000, 0.0006158600000000, -0.0001169000000000 ] - [ -0.0006893700000000, -0.0000696200000000, -0.0005050100000000 ] - [ -0.0001638800000000, -0.0000227900000000, 0.0000530000000000 ] - [ -0.0001648300000000, -0.0000368500000000, -0.0003871200000000 ] - [ 0.0002777300000000, -0.0000956700000000, 0.0001503800000000 ] - [ 0.0000079800000000, -0.0000433000000000, 0.0000488000000000 ] - [ -0.0004103300000000, -0.0002763200000000, 0.0006257300000000 ] - [ 0.0002063100000000, -0.0001192100000000, -0.0004912900000000 ] - [ 0.0005152200000000, 0.0006008200000000, 0.0003042300000000 ] - [ -0.0001689500000000, -0.0004038600000000, -0.0000775200000000 ] - [ -0.0012748700000000, -0.0016330100000000, 0.0024475700000000 ] - [ -0.0000106100000000, 0.0000838800000000, -0.0005338900000000 ] - [ 0.0005874800000000, -0.0004146200000000, -0.0004424600000000 ] - [ -0.0005395600000000, 0.0003035900000000, -0.0013344600000000 ] - [ 0.0007850400000000, -0.0002566100000000, 0.0011665700000000 ] - [ 0.0002982500000000, 0.0002190700000000, -0.0003000400000000 ] - [ -0.0009269100000000, -0.0005665000000000, -0.0000599900000000 ] - [ -0.0000279400000000, 0.0002109000000000, -0.0004439000000000 ] - [ -0.0012225100000000, -0.0006163600000000, 0.0019799700000000 ] - [ -0.0001577100000000, -0.0000601500000000, -0.0009838600000000 ] - [ 0.0027313300000000, -0.0033434200000000, 0.0079049100000000 ] - [ 0.0005162900000000, -0.0006560300000000, -0.0012484100000000 ] - [ 0.0007693900000000, -0.0010662700000000, 0.0010270400000000 ] - [ -0.0000586400000000, -0.0000193600000000, -0.0007371100000000 ] - [ -0.0008504900000000, -0.0007280500000000, 0.0003614600000000 ] - [ -0.0000464900000000, 0.0000381900000000, -0.0000535400000000 ] - [ -0.0000287800000000, 0.0001634300000000, 0.0003897800000000 ] - [ -0.0003154800000000, -0.0000921200000000, -0.0001773200000000 ] - [ -0.0002043900000000, 0.0003604100000000, -0.0001318500000000 ] - [ 0.0002402000000000, -0.0001104900000000, -0.0004130200000000 ]- atom: 29 displacement: [ 0.0026967483687124, 0.0000000000000000, -0.0096295144340640 ] forces: - [ 0.0001474900000000, 0.0012057800000000, 0.0001520400000000 ] - [ -0.0000453900000000, -0.0002181600000000, -0.0003240100000000 ] - [ -0.0000863200000000, -0.0051236600000000, -0.0026735400000000 ] - [ -0.0000295400000000, 0.0003222700000000, -0.0004158100000000 ] - [ -0.0055974800000000, -0.0007981400000000, -0.0025704400000000 ] - [ 0.0001928400000000, -0.0001721700000000, -0.0006909900000000 ] - [ 0.0087442100000000, -0.0009306600000000, -0.0056162000000000 ] - [ 0.0004737000000000, 0.0000080400000000, -0.0007296600000000 ] - [ 0.0002471700000000, 0.0003860000000000, 0.0003336700000000 ] - [ 0.0004747000000000, 0.0000146000000000, -0.0002045700000000 ] - [ -0.0001826500000000, 0.0001793100000000, 0.0001084600000000 ] - [ -0.0003616600000000, 0.0001291300000000, -0.0002245200000000 ] - [ 0.0036396200000000, -0.0028236900000000, 0.0017666500000000 ] - [ 0.0004160500000000, 0.0000402000000000, -0.0005368800000000 ] - [ -0.0005314000000000, -0.0013699100000000, -0.0016127100000000 ] - [ 0.0002544200000000, 0.0006736900000000, -0.0007459400000000 ] - [ -0.0002412900000000, -0.0000236300000000, 0.0005237700000000 ] - [ -0.0001064100000000, -0.0001439100000000, -0.0002790000000000 ] - [ -0.0000875400000000, 0.0003055500000000, -0.0001521000000000 ] - [ 0.0003379600000000, -0.0001400400000000, -0.0001025900000000 ] - [ -0.0003024900000000, 0.0000124600000000, 0.0002220400000000 ] - [ 0.0000073600000000, 0.0002366400000000, 0.0001663000000000 ] - [ 0.0005270300000000, -0.0002569200000000, 0.0001181900000000 ] - [ 0.0000864100000000, 0.0001626300000000, -0.0004545000000000 ] - [ -0.0000439800000000, 0.0000780100000000, -0.0000485400000000 ] - [ 0.0002505300000000, -0.0001555900000000, -0.0003033300000000 ] - [ -0.0000718800000000, 0.0000168200000000, 0.0008437900000000 ] - [ -0.0002634500000000, -0.0000468600000000, -0.0002199400000000 ] - [ -0.0145361600000000, 0.0064241300000000, 0.0816175100000000 ] - [ 0.0003180600000000, -0.0001479800000000, -0.0004069100000000 ] - [ 0.0014119500000000, 0.0001606700000000, -0.0024430500000000 ] - [ -0.0004926700000000, -0.0003355500000000, -0.0010546400000000 ] - [ 0.0002435300000000, 0.0069370600000000, -0.0047004600000000 ] - [ 0.0003645200000000, 0.0003431400000000, -0.0006384100000000 ] - [ -0.0000496400000000, -0.0006975900000000, 0.0002058100000000 ] - [ 0.0001248500000000, -0.0005339200000000, -0.0002777900000000 ] - [ 0.0003110400000000, 0.0000095500000000, -0.0000121500000000 ] - [ 0.0003917200000000, 0.0004616500000000, 0.0000155300000000 ] - [ -0.0002575200000000, 0.0001692700000000, 0.0003350500000000 ] - [ -0.0001878700000000, 0.0002011400000000, -0.0004078000000000 ] - [ 0.0000512500000000, -0.0001663200000000, 0.0001351600000000 ] - [ -0.0001211800000000, 0.0000149500000000, -0.0001664800000000 ] - [ 0.0001322500000000, 0.0000791700000000, 0.0001897100000000 ] - [ -0.0001073800000000, 0.0000334400000000, -0.0001391700000000 ] - [ -0.0002373600000000, 0.0000177700000000, 0.0001503600000000 ] - [ -0.0004813500000000, -0.0000761000000000, -0.0001343600000000 ] - [ 0.0003533400000000, -0.0001728800000000, 0.0002009400000000 ] - [ 0.0003410800000000, -0.0000369500000000, -0.0001096100000000 ] - [ 0.0005632200000000, 0.0000880200000000, 0.0001150600000000 ] - [ 0.0001498700000000, 0.0000685400000000, -0.0002936600000000 ] - [ -0.0007989300000000, -0.0001532200000000, 0.0003217500000000 ] - [ -0.0003181500000000, 0.0002157600000000, -0.0002800800000000 ] - [ 0.0000838800000000, 0.0001272200000000, 0.0003651300000000 ] - [ 0.0002249900000000, 0.0001165000000000, -0.0002645000000000 ] - [ -0.0001642100000000, 0.0001636600000000, -0.0000636600000000 ] - [ -0.0003961100000000, -0.0000410400000000, 0.0000917200000000 ] - [ 0.0003364700000000, -0.0001007000000000, 0.0006398500000000 ] - [ -0.0001780400000000, -0.0001073200000000, -0.0003121800000000 ] - [ 0.0007834600000000, -0.0002222300000000, -0.0003543800000000 ] - [ -0.0006508000000000, -0.0001205200000000, -0.0000727000000000 ] - [ 0.0001587700000000, 0.0003677700000000, -0.0000719700000000 ] - [ -0.0005577100000000, -0.0002803100000000, -0.0004220000000000 ] - [ -0.0019727000000000, 0.0019902900000000, 0.0015587400000000 ] - [ 0.0002593200000000, 0.0001183400000000, -0.0007626700000000 ] - [ 0.0003639700000000, -0.0003752200000000, -0.0002692100000000 ] - [ 0.0000625000000000, 0.0011971400000000, -0.0007219300000000 ] - [ -0.0001884300000000, 0.0000596800000000, 0.0010354000000000 ] - [ -0.0001990100000000, -0.0000591400000000, -0.0001951000000000 ] - [ 0.0003102800000000, -0.0002408100000000, 0.0002936500000000 ] - [ 0.0001646600000000, -0.0001587200000000, -0.0000447300000000 ] - [ -0.0002849000000000, -0.0001670100000000, -0.0001454300000000 ] - [ -0.0002529600000000, -0.0002034800000000, -0.0000768100000000 ] - [ -0.0000452500000000, 0.0005562700000000, 0.0001723500000000 ] - [ -0.0000661900000000, 0.0006599400000000, -0.0001490900000000 ] - [ -0.0001156000000000, -0.0006029700000000, 0.0002529800000000 ] - [ 0.0000277700000000, -0.0005802300000000, -0.0002769800000000 ] - [ 0.0001757000000000, 0.0002882000000000, 0.0000837300000000 ] - [ 0.0000975900000000, 0.0000703600000000, 0.0000632400000000 ] - [ 0.0000206800000000, 0.0000874700000000, 0.0002615400000000 ] - [ -0.0003665200000000, 0.0002468300000000, -0.0004195300000000 ] - [ -0.0130960400000000, 0.0117569700000000, -0.0252005900000000 ] - [ -0.0003116400000000, 0.0000946100000000, 0.0007166400000000 ] - [ -0.0001951400000000, -0.0004714400000000, 0.0024492800000000 ] - [ 0.0000904100000000, 0.0005347200000000, 0.0010513500000000 ] - [ 0.0002402000000000, -0.0002217800000000, -0.0005042700000000 ] - [ -0.0000032100000000, -0.0001457400000000, 0.0002243500000000 ] - [ -0.0002844300000000, -0.0002437100000000, -0.0000176100000000 ] - [ -0.0002142400000000, -0.0001485000000000, 0.0003614200000000 ] - [ 0.0227026900000000, -0.0252304300000000, -0.0313762200000000 ] - [ -0.0000543500000000, -0.0004122000000000, 0.0006537600000000 ] - [ 0.0003832500000000, 0.0000481200000000, 0.0018420400000000 ] - [ -0.0009741700000000, -0.0013259500000000, 0.0005667300000000 ] - [ -0.0005598800000000, -0.0000903100000000, -0.0008736300000000 ] - [ -0.0001162000000000, 0.0003634500000000, 0.0004346300000000 ] - [ 0.0004297000000000, -0.0002907800000000, -0.0000004100000000 ] - [ -0.0000387600000000, 0.0004666700000000, 0.0002946600000000 ] - [ -0.0001627700000000, 0.0001000500000000, -0.0002415100000000 ] - [ -0.0000772600000000, 0.0000740500000000, 0.0002766200000000 ] - [ 0.0002359900000000, 0.0001978100000000, -0.0002784000000000 ] - [ 0.0001930100000000, 0.0000465900000000, 0.0000447600000000 ] - [ -0.0000015000000000, 0.0000582800000000, -0.0002472100000000 ] - [ 0.0002919300000000, -0.0000648300000000, 0.0002866800000000 ] - [ 0.0001352200000000, 0.0000654600000000, -0.0001717900000000 ] - [ -0.0002781500000000, -0.0003383600000000, 0.0003971900000000 ] - [ 0.0000395700000000, -0.0001873600000000, -0.0004749400000000 ] - [ 0.0002577500000000, -0.0003266400000000, 0.0001637900000000 ] - [ -0.0002430400000000, -0.0002996600000000, -0.0001341400000000 ] - [ -0.0000674000000000, -0.0003047700000000, 0.0001570000000000 ] - [ -0.0001633300000000, 0.0005782400000000, -0.0005563900000000 ] - [ -0.0001013800000000, 0.0001412100000000, 0.0003341600000000 ] - [ 0.0001374000000000, 0.0004500700000000, -0.0000855500000000 ] - [ 0.0003199500000000, 0.0000542100000000, 0.0001168200000000 ] - [ -0.0001331800000000, -0.0002517300000000, -0.0005144200000000 ] - [ 0.0001290100000000, 0.0000729600000000, 0.0004928600000000 ] - [ -0.0009982400000000, -0.0004911000000000, -0.0002314200000000 ] - [ 0.0003196600000000, 0.0001968500000000, 0.0001593500000000 ] - [ -0.0002101000000000, -0.0001010700000000, -0.0004027500000000 ] - [ -0.0002101900000000, -0.0000854700000000, 0.0000394800000000 ] - [ 0.0000962000000000, -0.0000237000000000, 0.0001981000000000 ] - [ 0.0003630000000000, -0.0000769200000000, 0.0003050300000000 ] - [ 0.0007073700000000, 0.0001833300000000, -0.0009766500000000 ] - [ 0.0000885300000000, 0.0000344700000000, 0.0001362700000000 ] - [ -0.0008086100000000, -0.0006858600000000, 0.0000518500000000 ] - [ -0.0001233600000000, 0.0003232900000000, 0.0004358800000000 ] - [ 0.0009980600000000, 0.0017528000000000, -0.0021079600000000 ] - [ -0.0002861100000000, 0.0000025200000000, 0.0008939400000000 ] - [ -0.0002935300000000, 0.0005016800000000, 0.0000755200000000 ] - [ 0.0008338900000000, -0.0002204400000000, 0.0009803100000000 ] - [ -0.0004108700000000, 0.0003851800000000, -0.0008115700000000 ] - [ 0.0000721000000000, -0.0001001100000000, 0.0006554400000000 ] - [ 0.0005510100000000, 0.0006935400000000, -0.0002894800000000 ] - [ -0.0003515700000000, -0.0000885300000000, 0.0000994800000000 ] - [ 0.0008588700000000, 0.0005132500000000, -0.0023349800000000 ] - [ -0.0002165200000000, -0.0000653700000000, 0.0006331400000000 ] - [ -0.0024834600000000, 0.0033606500000000, -0.0077823100000000 ] - [ -0.0001458900000000, 0.0005326700000000, 0.0015963600000000 ] - [ -0.0004823700000000, 0.0009770300000000, -0.0013761600000000 ] - [ 0.0003503400000000, -0.0000653400000000, 0.0003850100000000 ] - [ 0.0005571400000000, 0.0006436500000000, -0.0000035800000000 ] - [ -0.0002505300000000, -0.0001259000000000, 0.0004095700000000 ] - [ -0.0002650300000000, -0.0000798500000000, -0.0000354500000000 ] - [ 0.0000253200000000, 0.0001775700000000, 0.0005359800000000 ] - [ 0.0004990900000000, -0.0002752400000000, -0.0002344300000000 ] - [ 0.0000577600000000, 0.0001956300000000, 0.0000609700000000 ]- atom: 33 displacement: [ 0.0099999386121055, 0.0000000000000000, -0.0000350393225009 ] forces: - [ -0.0002932100000000, 0.0001098000000000, -0.0002280700000000 ] - [ -0.0002342900000000, -0.0001719200000000, -0.0001684400000000 ] - [ -0.0011443600000000, 0.0000170100000000, -0.0001529200000000 ] - [ -0.0001594400000000, 0.0000297900000000, -0.0002828800000000 ] - [ 0.0031948500000000, 0.0064753300000000, 0.0007947900000000 ] - [ -0.0004523100000000, -0.0000919600000000, -0.0001950200000000 ] - [ 0.0039333500000000, -0.0065970800000000, 0.0007953800000000 ] - [ 0.0003016600000000, -0.0000846200000000, -0.0001794600000000 ] - [ 0.0000818100000000, 0.0001866600000000, 0.0001781800000000 ] - [ 0.0003343200000000, 0.0001124600000000, -0.0000923800000000 ] - [ -0.0003950300000000, 0.0001022700000000, -0.0001425400000000 ] - [ -0.0007020100000000, -0.0000324200000000, 0.0001856700000000 ] - [ 0.0058711700000000, 0.0014223400000000, -0.0056389400000000 ] - [ -0.0003147300000000, 0.0003422300000000, 0.0002781100000000 ] - [ -0.0007525200000000, -0.0001472900000000, 0.0003319800000000 ] - [ 0.0053731500000000, -0.0012080000000000, -0.0055175100000000 ] - [ -0.0008722200000000, 0.0009082300000000, 0.0008345200000000 ] - [ -0.0001944600000000, 0.0000554700000000, -0.0001585900000000 ] - [ -0.0004540800000000, -0.0011061600000000, 0.0007905500000000 ] - [ 0.0002342900000000, -0.0002591700000000, -0.0002025900000000 ] - [ 0.0000595400000000, 0.0003140800000000, 0.0006083300000000 ] - [ 0.0005527700000000, 0.0005276500000000, 0.0002976300000000 ] - [ 0.0009193200000000, -0.0003854800000000, -0.0000460300000000 ] - [ 0.0004220200000000, -0.0001630700000000, 0.0002583800000000 ] - [ 0.0012661300000000, -0.0000220100000000, 0.0007731000000000 ] - [ 0.0005136400000000, -0.0001193400000000, -0.0002486800000000 ] - [ 0.0008732900000000, -0.0001029300000000, 0.0010830100000000 ] - [ 0.0001632700000000, -0.0000409800000000, 0.0001170400000000 ] - [ -0.0021131500000000, 0.0012548900000000, -0.0007566800000000 ] - [ 0.0000415500000000, -0.0002082800000000, -0.0002803400000000 ] - [ -0.0004314300000000, -0.0001780200000000, -0.0005409300000000 ] - [ -0.0025914100000000, -0.0016769100000000, -0.0010705700000000 ] - [ -0.0678608200000000, -0.0002112200000000, 0.0270639300000000 ] - [ -0.0003035000000000, 0.0006080800000000, -0.0003497900000000 ] - [ -0.0003512100000000, -0.0008735200000000, -0.0001352300000000 ] - [ -0.0003508200000000, -0.0003495800000000, -0.0001353400000000 ] - [ -0.0001218000000000, 0.0002938400000000, 0.0000658900000000 ] - [ 0.0000817600000000, 0.0000726900000000, -0.0000382900000000 ] - [ -0.0006350900000000, 0.0001316500000000, -0.0001877500000000 ] - [ -0.0003666100000000, 0.0002838900000000, -0.0003251400000000 ] - [ 0.0005250700000000, -0.0000913800000000, 0.0004105300000000 ] - [ 0.0004966600000000, 0.0000547400000000, 0.0003827300000000 ] - [ 0.0006226900000000, 0.0000206300000000, 0.0003496800000000 ] - [ 0.0002413600000000, 0.0000260500000000, 0.0002184400000000 ] - [ 0.0001273300000000, 0.0002154000000000, 0.0002332400000000 ] - [ -0.0002914100000000, 0.0000265500000000, 0.0000765400000000 ] - [ 0.0009055100000000, -0.0003986000000000, 0.0002545700000000 ] - [ 0.0004630600000000, -0.0002066400000000, 0.0000908500000000 ] - [ 0.0011440900000000, 0.0001549700000000, -0.0001405200000000 ] - [ 0.0007668500000000, 0.0004163200000000, 0.0004170800000000 ] - [ -0.0000010900000000, -0.0002664100000000, 0.0004295100000000 ] - [ 0.0003943900000000, 0.0000344200000000, -0.0001655800000000 ] - [ 0.0003093800000000, -0.0000500200000000, 0.0000959400000000 ] - [ 0.0003343700000000, 0.0000899500000000, -0.0000819400000000 ] - [ -0.0001001800000000, 0.0001059300000000, -0.0000295000000000 ] - [ -0.0001149700000000, 0.0002514700000000, 0.0001375100000000 ] - [ 0.0004587600000000, -0.0000153300000000, -0.0002385100000000 ] - [ -0.0002063600000000, -0.0000324100000000, 0.0001233400000000 ] - [ 0.0009023500000000, -0.0001767700000000, -0.0002916700000000 ] - [ 0.0002428900000000, -0.0001538900000000, 0.0000579100000000 ] - [ -0.0001015200000000, 0.0001730100000000, -0.0000569600000000 ] - [ -0.0006544500000000, 0.0003738800000000, 0.0009321400000000 ] - [ -0.0002782200000000, -0.0002339200000000, 0.0005901800000000 ] - [ 0.0002593900000000, -0.0000306900000000, -0.0003999000000000 ] - [ 0.0000416800000000, -0.0005760700000000, -0.0004134100000000 ] - [ 0.0000944900000000, 0.0000128000000000, -0.0001665500000000 ] - [ -0.0002860800000000, 0.0003957800000000, -0.0000246200000000 ] - [ -0.0002993200000000, -0.0001336000000000, 0.0001398400000000 ] - [ 0.0005678100000000, -0.0003158900000000, 0.0002790500000000 ] - [ 0.0004070600000000, -0.0002848000000000, 0.0002232000000000 ] - [ -0.0000682500000000, -0.0001051600000000, -0.0000443700000000 ] - [ 0.0000924300000000, -0.0000736100000000, -0.0000036200000000 ] - [ 0.0003279700000000, 0.0006187600000000, 0.0000112400000000 ] - [ 0.0000567600000000, 0.0006093600000000, 0.0000593800000000 ] - [ 0.0003654100000000, -0.0005998300000000, 0.0001076900000000 ] - [ 0.0003717900000000, -0.0006161900000000, 0.0001044800000000 ] - [ 0.0009341600000000, 0.0003725900000000, 0.0004481400000000 ] - [ 0.0005318200000000, 0.0002244300000000, 0.0001651400000000 ] - [ 0.0004831600000000, -0.0000088000000000, 0.0001640800000000 ] - [ 0.0000549900000000, 0.0001676400000000, -0.0000930600000000 ] - [ 0.0232763400000000, 0.0192106700000000, -0.0121377400000000 ] - [ 0.0002814100000000, -0.0001711600000000, 0.0002743500000000 ] - [ 0.0230862600000000, -0.0182156100000000, -0.0116460200000000 ] - [ 0.0005967000000000, 0.0003772900000000, 0.0001400100000000 ] - [ 0.0011153200000000, -0.0001546600000000, -0.0003790500000000 ] - [ 0.0001762300000000, -0.0002025100000000, 0.0001094100000000 ] - [ -0.0001356300000000, -0.0000031600000000, 0.0002461800000000 ] - [ 0.0007942900000000, -0.0000524200000000, -0.0002493500000000 ] - [ 0.0033341100000000, 0.0009199900000000, -0.0023033900000000 ] - [ 0.0001192500000000, -0.0001366300000000, 0.0002096900000000 ] - [ 0.0030328900000000, -0.0014677200000000, -0.0022209700000000 ] - [ -0.0001954200000000, -0.0004184800000000, 0.0003010100000000 ] - [ 0.0001141600000000, 0.0001947800000000, 0.0002261500000000 ] - [ 0.0001682400000000, 0.0003753600000000, 0.0000950300000000 ] - [ 0.0004807100000000, 0.0001774900000000, 0.0000000400000000 ] - [ 0.0004309800000000, 0.0003743600000000, 0.0001349100000000 ] - [ -0.0005952500000000, -0.0000059900000000, -0.0001455100000000 ] - [ -0.0003367100000000, 0.0001245200000000, 0.0000006300000000 ] - [ -0.0002763600000000, 0.0002151500000000, -0.0002839600000000 ] - [ -0.0000201500000000, 0.0000821800000000, -0.0001326100000000 ] - [ -0.0006016500000000, 0.0000056800000000, -0.0002511800000000 ] - [ -0.0001851000000000, -0.0003633700000000, -0.0003847800000000 ] - [ -0.0005083700000000, 0.0001556500000000, -0.0002507400000000 ] - [ -0.0009164700000000, -0.0002156000000000, -0.0001128600000000 ] - [ -0.0004471100000000, -0.0001368500000000, -0.0004783100000000 ] - [ -0.0000933800000000, -0.0001886800000000, -0.0002687700000000 ] - [ -0.0007659800000000, -0.0004237600000000, -0.0003925200000000 ] - [ -0.0004090900000000, -0.0003721500000000, -0.0001762000000000 ] - [ -0.0009020400000000, 0.0007866600000000, -0.0006237100000000 ] - [ -0.0006450800000000, -0.0000739800000000, 0.0000709500000000 ] - [ -0.0003272800000000, 0.0006377500000000, -0.0000202700000000 ] - [ -0.0005874100000000, -0.0002337300000000, -0.0007192500000000 ] - [ -0.0016688700000000, 0.0000375700000000, -0.0003189600000000 ] - [ 0.0001278200000000, 0.0000152800000000, 0.0000352200000000 ] - [ -0.0020547800000000, 0.0000769600000000, -0.0006643500000000 ] - [ -0.0002598000000000, 0.0000972000000000, -0.0003162700000000 ] - [ -0.0004742500000000, -0.0003781300000000, -0.0004572900000000 ] - [ -0.0004603500000000, -0.0001364100000000, -0.0000722300000000 ] - [ -0.0000730400000000, 0.0000160800000000, 0.0002746100000000 ] - [ -0.0000771400000000, 0.0002670100000000, -0.0001120000000000 ] - [ -0.0009535900000000, 0.0022126400000000, 0.0001046200000000 ] - [ 0.0003468600000000, 0.0000244300000000, -0.0000366400000000 ] - [ -0.0012959400000000, -0.0023106300000000, 0.0004798800000000 ] - [ -0.0000045300000000, -0.0001270700000000, 0.0003351200000000 ] - [ 0.0036128800000000, 0.0000397000000000, 0.0028800000000000 ] - [ -0.0005737800000000, -0.0004684400000000, 0.0017544800000000 ] - [ -0.0002274100000000, 0.0005741500000000, 0.0013869500000000 ] - [ 0.0039860300000000, 0.0000561000000000, 0.0025872400000000 ] - [ 0.0004478700000000, 0.0000352600000000, 0.0001166300000000 ] - [ 0.0002080400000000, 0.0000432200000000, 0.0003413500000000 ] - [ 0.0000586800000000, 0.0000826800000000, -0.0002297300000000 ] - [ -0.0001777300000000, 0.0000735400000000, -0.0000015400000000 ] - [ -0.0004864200000000, -0.0014281800000000, 0.0011002600000000 ] - [ 0.0001672100000000, 0.0001154300000000, 0.0000609200000000 ] - [ 0.0005533200000000, -0.0002182700000000, 0.0004011800000000 ] - [ -0.0001099000000000, 0.0013026500000000, 0.0014460400000000 ] - [ -0.0008760800000000, 0.0007517200000000, -0.0009074300000000 ] - [ 0.0000809400000000, -0.0000417900000000, -0.0001456200000000 ] - [ -0.0012262700000000, -0.0008552100000000, -0.0005419200000000 ] - [ -0.0002682300000000, -0.0000619000000000, 0.0002296700000000 ] - [ -0.0004242200000000, -0.0000388400000000, 0.0002852200000000 ] - [ -0.0002350400000000, 0.0000121900000000, 0.0000401000000000 ] - [ 0.0001150500000000, 0.0000947500000000, -0.0003319600000000 ] - [ -0.0000809000000000, 0.0001422200000000, -0.0000893300000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000346400000000, 0.0005520200000000, -0.0000687300000000 ] - [ 0.0000346400000000, 0.0005520200000000, 0.0000687300000000 ] - [ 0.0000000000000000, 0.0012170800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001247400000000, 0.0000000000000000 ] - [ 0.0041947600000000, 0.0035707900000000, -0.0001890100000000 ] - [ -0.0003257600000000, -0.0001787500000000, 0.0000104100000000 ] - [ -0.0041947600000000, 0.0035707900000000, 0.0001890100000000 ] - [ 0.0003257600000000, -0.0001787500000000, -0.0000104100000000 ] - [ 0.0002930900000000, 0.0006798100000000, 0.0004022100000000 ] - [ 0.0004637500000000, 0.0003473900000000, 0.0000557700000000 ] - [ -0.0004637500000000, 0.0003473900000000, -0.0000557700000000 ] - [ -0.0002930900000000, 0.0006798100000000, -0.0004022100000000 ] - [ -0.0017542000000000, -0.0018978100000000, 0.0016305300000000 ] - [ 0.0004413100000000, -0.0003239900000000, -0.0001612800000000 ] - [ -0.0004413100000000, -0.0003239900000000, 0.0001612800000000 ] - [ 0.0017542000000000, -0.0018978100000000, -0.0016305300000000 ] - [ 0.0008020800000000, 0.0022987400000000, 0.0014466800000000 ] - [ -0.0001740100000000, -0.0000150200000000, -0.0000732700000000 ] - [ -0.0008020800000000, 0.0022987400000000, -0.0014466800000000 ] - [ 0.0001740100000000, -0.0000150200000000, 0.0000732700000000 ] - [ -0.0001113900000000, 0.0001085000000000, 0.0004107400000000 ] - [ 0.0000538900000000, 0.0000107500000000, 0.0000088700000000 ] - [ -0.0000538900000000, 0.0000107500000000, -0.0000088700000000 ] - [ 0.0001113900000000, 0.0001085000000000, -0.0004107400000000 ] - [ -0.0004665900000000, -0.0005954500000000, -0.0005646500000000 ] - [ 0.0001897400000000, -0.0001344400000000, -0.0000929700000000 ] - [ 0.0004665900000000, -0.0005954500000000, 0.0005646500000000 ] - [ -0.0001897400000000, -0.0001344400000000, 0.0000929700000000 ] - [ 0.0000947100000000, 0.0047315800000000, -0.0065613200000000 ] - [ 0.0001305400000000, -0.0003034400000000, 0.0003545900000000 ] - [ -0.0001305400000000, -0.0003034400000000, -0.0003545900000000 ] - [ -0.0000947100000000, 0.0047315800000000, 0.0065613200000000 ] - [ 0.0000000000000000, -0.0801460700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004187500000000, 0.0000000000000000 ] - [ -0.0002726000000000, -0.0003361000000000, 0.0004366800000000 ] - [ 0.0002726000000000, -0.0003361000000000, -0.0004366800000000 ] - [ 0.0004363000000000, 0.0007955500000000, 0.0000800600000000 ] - [ 0.0002486300000000, 0.0004369300000000, 0.0001914700000000 ] - [ -0.0004363000000000, 0.0007955500000000, -0.0000800600000000 ] - [ -0.0002486300000000, 0.0004369300000000, -0.0001914700000000 ] - [ 0.0000984900000000, -0.0002285400000000, 0.0001440300000000 ] - [ -0.0000984900000000, -0.0002285400000000, -0.0001440300000000 ] - [ 0.0000000000000000, 0.0000892700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000565500000000, 0.0000000000000000 ] - [ -0.0000720300000000, 0.0002626700000000, 0.0001119900000000 ] - [ -0.0003656100000000, 0.0000236500000000, 0.0000201400000000 ] - [ 0.0000720300000000, 0.0002626700000000, -0.0001119900000000 ] - [ 0.0003656100000000, 0.0000236500000000, -0.0000201400000000 ] - [ 0.0002636600000000, -0.0001266900000000, -0.0000095500000000 ] - [ 0.0002903800000000, -0.0003466400000000, -0.0001204200000000 ] - [ -0.0002903800000000, -0.0003466400000000, 0.0001204200000000 ] - [ -0.0002636600000000, -0.0001266900000000, 0.0000095500000000 ] - [ 0.0001872200000000, 0.0005365100000000, 0.0000532900000000 ] - [ 0.0002094900000000, 0.0002238500000000, 0.0000205500000000 ] - [ -0.0002094900000000, 0.0002238500000000, -0.0000205500000000 ] - [ -0.0001872200000000, 0.0005365100000000, -0.0000532900000000 ] - [ 0.0001645700000000, -0.0002147100000000, -0.0002628000000000 ] - [ -0.0000427800000000, -0.0002045300000000, 0.0000489500000000 ] - [ -0.0001645700000000, -0.0002147100000000, 0.0002628000000000 ] - [ 0.0000427800000000, -0.0002045300000000, -0.0000489500000000 ] - [ -0.0001067700000000, 0.0001595100000000, 0.0000382200000000 ] - [ 0.0002733700000000, 0.0008357900000000, 0.0006386500000000 ] - [ -0.0002733700000000, 0.0008357900000000, -0.0006386500000000 ] - [ 0.0001067700000000, 0.0001595100000000, -0.0000382200000000 ] - [ 0.0002411400000000, 0.0004441600000000, 0.0001038200000000 ] - [ 0.0002092000000000, 0.0003427800000000, -0.0001666700000000 ] - [ -0.0002411400000000, 0.0004441600000000, -0.0001038200000000 ] - [ -0.0002092000000000, 0.0003427800000000, 0.0001666700000000 ] - [ 0.0002262700000000, 0.0000143800000000, 0.0001606700000000 ] - [ 0.0002020600000000, -0.0000503900000000, 0.0000486200000000 ] - [ -0.0002020600000000, -0.0000503900000000, -0.0000486200000000 ] - [ -0.0002262700000000, 0.0000143800000000, -0.0001606700000000 ] - [ 0.0000000000000000, 0.0008872800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0007334800000000, 0.0000000000000000 ] - [ 0.0000137800000000, -0.0007816900000000, -0.0001520800000000 ] - [ -0.0000137800000000, -0.0007816900000000, 0.0001520800000000 ] - [ 0.0002217400000000, -0.0001662200000000, 0.0001178200000000 ] - [ 0.0001647000000000, 0.0000339600000000, 0.0001426700000000 ] - [ -0.0002217400000000, -0.0001662200000000, -0.0001178200000000 ] - [ -0.0001647000000000, 0.0000339600000000, -0.0001426700000000 ] - [ 0.0217645900000000, 0.0339191800000000, -0.0156070300000000 ] - [ -0.0003115000000000, 0.0004128700000000, 0.0000194700000000 ] - [ -0.0217645900000000, 0.0339191800000000, 0.0156070300000000 ] - [ 0.0003115000000000, 0.0004128700000000, -0.0000194700000000 ] - [ 0.0009140500000000, -0.0009325400000000, -0.0007748500000000 ] - [ -0.0001174200000000, -0.0005017100000000, 0.0001145900000000 ] - [ 0.0001174200000000, -0.0005017100000000, -0.0001145900000000 ] - [ -0.0009140500000000, -0.0009325400000000, 0.0007748500000000 ] - [ 0.0006065100000000, -0.0024769600000000, 0.0002259300000000 ] - [ 0.0002209900000000, -0.0004019900000000, -0.0000881800000000 ] - [ -0.0006065100000000, -0.0024769600000000, -0.0002259300000000 ] - [ -0.0002209900000000, -0.0004019900000000, 0.0000881800000000 ] - [ 0.0000212100000000, -0.0003149300000000, -0.0000412500000000 ] - [ -0.0004525100000000, -0.0001973600000000, 0.0000446200000000 ] - [ 0.0004525100000000, -0.0001973600000000, -0.0000446200000000 ] - [ -0.0000212100000000, -0.0003149300000000, 0.0000412500000000 ] - [ -0.0001512000000000, -0.0002660700000000, -0.0001000800000000 ] - [ -0.0001406900000000, -0.0000404600000000, 0.0000802700000000 ] - [ 0.0001512000000000, -0.0002660700000000, 0.0001000800000000 ] - [ 0.0001406900000000, -0.0000404600000000, -0.0000802700000000 ] - [ 0.0000895000000000, 0.0002444600000000, 0.0000923000000000 ] - [ 0.0001444600000000, 0.0001282700000000, -0.0000245200000000 ] - [ -0.0001444600000000, 0.0001282700000000, 0.0000245200000000 ] - [ -0.0000895000000000, 0.0002444600000000, -0.0000923000000000 ] - [ 0.0002365900000000, -0.0003725400000000, -0.0000925200000000 ] - [ 0.0002340300000000, -0.0003992100000000, 0.0000387300000000 ] - [ -0.0002365900000000, -0.0003725400000000, 0.0000925200000000 ] - [ -0.0002340300000000, -0.0003992100000000, -0.0000387300000000 ] - [ -0.0003170400000000, 0.0009239000000000, -0.0002776100000000 ] - [ -0.0001201900000000, 0.0004419200000000, 0.0001451800000000 ] - [ 0.0001201900000000, 0.0004419200000000, -0.0001451800000000 ] - [ 0.0003170400000000, 0.0009239000000000, 0.0002776100000000 ] - [ 0.0003460600000000, 0.0005447600000000, 0.0003798900000000 ] - [ 0.0001580800000000, 0.0002172100000000, 0.0001898500000000 ] - [ -0.0003460600000000, 0.0005447600000000, -0.0003798900000000 ] - [ -0.0001580800000000, 0.0002172100000000, -0.0001898500000000 ] - [ -0.0006591300000000, -0.0002200000000000, -0.0004400600000000 ] - [ -0.0001966800000000, -0.0001125100000000, -0.0001038900000000 ] - [ 0.0001966800000000, -0.0001125100000000, 0.0001038900000000 ] - [ 0.0006591300000000, -0.0002200000000000, 0.0004400600000000 ] - [ 0.0023778800000000, -0.0016858000000000, -0.0011958700000000 ] - [ 0.0001952600000000, 0.0000177900000000, -0.0000406700000000 ] - [ -0.0023778800000000, -0.0016858000000000, 0.0011958700000000 ] - [ -0.0001952600000000, 0.0000177900000000, 0.0000406700000000 ] - [ -0.0008173100000000, 0.0018809300000000, -0.0019074900000000 ] - [ -0.0002534400000000, 0.0001251100000000, 0.0005400700000000 ] - [ 0.0002534400000000, 0.0001251100000000, -0.0005400700000000 ] - [ 0.0008173100000000, 0.0018809300000000, 0.0019074900000000 ] - [ 0.0002203500000000, -0.0010491800000000, 0.0002476800000000 ] - [ 0.0001494600000000, -0.0001310000000000, 0.0001925100000000 ] - [ -0.0002203500000000, -0.0010491800000000, -0.0002476800000000 ] - [ -0.0001494600000000, -0.0001310000000000, -0.0001925100000000 ] - [ -0.0012694800000000, -0.0003670100000000, 0.0007715400000000 ] - [ -0.0005649300000000, -0.0004126600000000, -0.0013180500000000 ] - [ 0.0005649300000000, -0.0004126600000000, 0.0013180500000000 ] - [ 0.0012694800000000, -0.0003670100000000, -0.0007715400000000 ] - [ 0.0010243800000000, -0.0006228500000000, 0.0002380100000000 ] - [ 0.0002192700000000, -0.0000601600000000, -0.0001379600000000 ] - [ -0.0010243800000000, -0.0006228500000000, -0.0002380100000000 ] - [ -0.0002192700000000, -0.0000601600000000, 0.0001379600000000 ] - [ -0.0002646700000000, -0.0001960600000000, 0.0002208500000000 ] - [ -0.0002827200000000, -0.0002908300000000, 0.0000121600000000 ] - [ 0.0002827200000000, -0.0002908300000000, -0.0000121600000000 ] - [ 0.0002646700000000, -0.0001960600000000, -0.0002208500000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000394200000000, -0.0006410300000000, 0.0000740000000000 ] - [ -0.0000394200000000, -0.0006410300000000, -0.0000740000000000 ] - [ 0.0000000000000000, -0.0011404600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000327600000000, 0.0000000000000000 ] - [ -0.0048990600000000, -0.0036965200000000, 0.0001565100000000 ] - [ -0.0004255700000000, 0.0000147700000000, -0.0000576700000000 ] - [ 0.0048990600000000, -0.0036965200000000, -0.0001565100000000 ] - [ 0.0004255700000000, 0.0000147700000000, 0.0000576700000000 ] - [ 0.0004627400000000, -0.0005204500000000, -0.0003602700000000 ] - [ 0.0002852500000000, -0.0002063600000000, -0.0000275400000000 ] - [ -0.0002852500000000, -0.0002063600000000, 0.0000275400000000 ] - [ -0.0004627400000000, -0.0005204500000000, 0.0003602700000000 ] - [ 0.0021707500000000, 0.0021393400000000, -0.0016064900000000 ] - [ 0.0000212000000000, 0.0005481300000000, 0.0001398900000000 ] - [ -0.0000212000000000, 0.0005481300000000, -0.0001398900000000 ] - [ -0.0021707500000000, 0.0021393400000000, 0.0016064900000000 ] - [ -0.0012833300000000, -0.0025489100000000, -0.0014456800000000 ] - [ -0.0003021800000000, -0.0001983400000000, 0.0001041700000000 ] - [ 0.0012833300000000, -0.0025489100000000, 0.0014456800000000 ] - [ 0.0003021800000000, -0.0001983400000000, -0.0001041700000000 ] - [ -0.0002733100000000, 0.0000440100000000, -0.0000771500000000 ] - [ -0.0004419700000000, 0.0001468100000000, 0.0003308000000000 ] - [ 0.0004419700000000, 0.0001468100000000, -0.0003308000000000 ] - [ 0.0002733100000000, 0.0000440100000000, 0.0000771500000000 ] - [ 0.0008669900000000, 0.0004593400000000, 0.0002456200000000 ] - [ 0.0002067600000000, -0.0000037800000000, -0.0002243700000000 ] - [ -0.0008669900000000, 0.0004593400000000, -0.0002456200000000 ] - [ -0.0002067600000000, -0.0000037800000000, 0.0002243700000000 ] - [ 0.0003826500000000, -0.0050493400000000, 0.0067206300000000 ] - [ 0.0003615800000000, -0.0000645400000000, -0.0001222500000000 ] - [ -0.0003615800000000, -0.0000645400000000, 0.0001222500000000 ] - [ -0.0003826500000000, -0.0050493400000000, -0.0067206300000000 ] - [ 0.0000000000000000, 0.0800127700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0008218500000000, 0.0000000000000000 ] - [ 0.0002596500000000, -0.0008987700000000, -0.0004319600000000 ] - [ -0.0002596500000000, -0.0008987700000000, 0.0004319600000000 ] - [ 0.0000501000000000, -0.0004401800000000, 0.0001617900000000 ] - [ 0.0002300500000000, -0.0000813500000000, 0.0000307400000000 ] - [ -0.0000501000000000, -0.0004401800000000, -0.0001617900000000 ] - [ -0.0002300500000000, -0.0000813500000000, -0.0000307400000000 ] - [ -0.0001027700000000, 0.0001561800000000, -0.0001493400000000 ] - [ 0.0001027700000000, 0.0001561800000000, 0.0001493400000000 ] - [ 0.0000000000000000, 0.0000031200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000376500000000, 0.0000000000000000 ] - [ -0.0006786400000000, -0.0004249700000000, -0.0001570000000000 ] - [ -0.0003842800000000, -0.0001837500000000, -0.0000629000000000 ] - [ 0.0006786400000000, -0.0004249700000000, 0.0001570000000000 ] - [ 0.0003842800000000, -0.0001837500000000, 0.0000629000000000 ] - [ 0.0004932300000000, 0.0002704100000000, 0.0000406400000000 ] - [ 0.0004700900000000, 0.0004949600000000, 0.0001562900000000 ] - [ -0.0004700900000000, 0.0004949600000000, -0.0001562900000000 ] - [ -0.0004932300000000, 0.0002704100000000, -0.0000406400000000 ] - [ 0.0002781900000000, -0.0003128800000000, -0.0000758600000000 ] - [ 0.0002581200000000, -0.0000025300000000, -0.0000435200000000 ] - [ -0.0002581200000000, -0.0000025300000000, 0.0000435200000000 ] - [ -0.0002781900000000, -0.0003128800000000, 0.0000758600000000 ] - [ -0.0006330200000000, -0.0000089700000000, 0.0002855300000000 ] - [ -0.0004259800000000, -0.0000167900000000, -0.0000279600000000 ] - [ 0.0006330200000000, -0.0000089700000000, -0.0002855300000000 ] - [ 0.0004259800000000, -0.0000167900000000, 0.0000279600000000 ] - [ -0.0002808900000000, -0.0000088700000000, 0.0002933200000000 ] - [ -0.0006672800000000, -0.0006930400000000, -0.0003160800000000 ] - [ 0.0006672800000000, -0.0006930400000000, 0.0003160800000000 ] - [ 0.0002808900000000, -0.0000088700000000, -0.0002933200000000 ] - [ 0.0001483500000000, -0.0005925800000000, -0.0004330600000000 ] - [ 0.0001781700000000, -0.0004941900000000, -0.0001649100000000 ] - [ -0.0001483500000000, -0.0005925800000000, 0.0004330600000000 ] - [ -0.0001781700000000, -0.0004941900000000, 0.0001649100000000 ] - [ 0.0002614200000000, -0.0003785000000000, 0.0000696100000000 ] - [ 0.0002880900000000, -0.0003137000000000, 0.0001846000000000 ] - [ -0.0002880900000000, -0.0003137000000000, -0.0001846000000000 ] - [ -0.0002614200000000, -0.0003785000000000, -0.0000696100000000 ] - [ 0.0000000000000000, 0.0003486300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005046000000000, 0.0000000000000000 ] - [ -0.0000142600000000, -0.0004533400000000, 0.0001525900000000 ] - [ 0.0000142600000000, -0.0004533400000000, -0.0001525900000000 ] - [ 0.0002594600000000, 0.0005181700000000, 0.0001182600000000 ] - [ 0.0003100900000000, 0.0003143500000000, 0.0001002100000000 ] - [ -0.0002594600000000, 0.0005181700000000, -0.0001182600000000 ] - [ -0.0003100900000000, 0.0003143500000000, -0.0001002100000000 ] - [ -0.0212251900000000, -0.0331001000000000, 0.0151012600000000 ] - [ -0.0000040100000000, -0.0002186900000000, 0.0001170600000000 ] - [ 0.0212251900000000, -0.0331001000000000, -0.0151012600000000 ] - [ 0.0000040100000000, -0.0002186900000000, -0.0001170600000000 ] - [ -0.0005988200000000, 0.0007446500000000, 0.0006387700000000 ] - [ 0.0004521600000000, 0.0003061100000000, -0.0002697600000000 ] - [ -0.0004521600000000, 0.0003061100000000, 0.0002697600000000 ] - [ 0.0005988200000000, 0.0007446500000000, -0.0006387700000000 ] - [ -0.0002973600000000, 0.0019203600000000, -0.0003256000000000 ] - [ 0.0000887100000000, -0.0001588500000000, -0.0000123300000000 ] - [ 0.0002973600000000, 0.0019203600000000, 0.0003256000000000 ] - [ -0.0000887100000000, -0.0001588500000000, 0.0000123300000000 ] - [ -0.0003331100000000, 0.0008775500000000, 0.0001393800000000 ] - [ 0.0001441500000000, 0.0007622700000000, 0.0000535700000000 ] - [ -0.0001441500000000, 0.0007622700000000, -0.0000535700000000 ] - [ 0.0003331100000000, 0.0008775500000000, -0.0001393800000000 ] - [ -0.0001653200000000, 0.0004620300000000, 0.0002377500000000 ] - [ -0.0001762900000000, 0.0002341700000000, 0.0000560000000000 ] - [ 0.0001653200000000, 0.0004620300000000, -0.0002377500000000 ] - [ 0.0001762900000000, 0.0002341700000000, -0.0000560000000000 ] - [ 0.0002444300000000, -0.0004396100000000, -0.0002411400000000 ] - [ 0.0001784700000000, -0.0003230800000000, -0.0001238800000000 ] - [ -0.0001784700000000, -0.0003230800000000, 0.0001238800000000 ] - [ -0.0002444300000000, -0.0004396100000000, 0.0002411400000000 ] - [ 0.0000742900000000, -0.0001902300000000, -0.0000042600000000 ] - [ 0.0000768100000000, -0.0001634000000000, -0.0001393300000000 ] - [ -0.0000742900000000, -0.0001902300000000, 0.0000042600000000 ] - [ -0.0000768100000000, -0.0001634000000000, 0.0001393300000000 ] - [ 0.0000089100000000, -0.0003643600000000, 0.0003781900000000 ] - [ -0.0001950600000000, 0.0001192800000000, -0.0000480700000000 ] - [ 0.0001950600000000, 0.0001192800000000, 0.0000480700000000 ] - [ -0.0000089100000000, -0.0003643600000000, -0.0003781900000000 ] - [ 0.0000228800000000, -0.0004389000000000, -0.0000086700000000 ] - [ 0.0002032800000000, -0.0001097500000000, 0.0001680400000000 ] - [ -0.0000228800000000, -0.0004389000000000, 0.0000086700000000 ] - [ -0.0002032800000000, -0.0001097500000000, -0.0001680400000000 ] - [ 0.0003100400000000, 0.0001096600000000, 0.0000879300000000 ] - [ -0.0001640300000000, 0.0000061400000000, -0.0002520200000000 ] - [ 0.0001640300000000, 0.0000061400000000, 0.0002520200000000 ] - [ -0.0003100400000000, 0.0001096600000000, -0.0000879300000000 ] - [ -0.0020683700000000, 0.0016145200000000, 0.0008664100000000 ] - [ 0.0001352700000000, -0.0000947900000000, -0.0003075600000000 ] - [ 0.0020683700000000, 0.0016145200000000, -0.0008664100000000 ] - [ -0.0001352700000000, -0.0000947900000000, 0.0003075600000000 ] - [ 0.0005057200000000, -0.0018201200000000, 0.0022961900000000 ] - [ -0.0000881000000000, -0.0000485100000000, -0.0001852800000000 ] - [ 0.0000881000000000, -0.0000485100000000, 0.0001852800000000 ] - [ -0.0005057200000000, -0.0018201200000000, -0.0022961900000000 ] - [ 0.0001358800000000, 0.0011649600000000, 0.0001060400000000 ] - [ 0.0002099700000000, 0.0002377700000000, 0.0001724600000000 ] - [ -0.0001358800000000, 0.0011649600000000, -0.0001060400000000 ] - [ -0.0002099700000000, 0.0002377700000000, -0.0001724600000000 ] - [ 0.0009058900000000, 0.0002736100000000, -0.0011250900000000 ] - [ 0.0001994600000000, 0.0003075700000000, 0.0009652900000000 ] - [ -0.0001994600000000, 0.0003075700000000, -0.0009652900000000 ] - [ -0.0009058900000000, 0.0002736100000000, 0.0011250900000000 ] - [ -0.0006889100000000, 0.0005498500000000, -0.0005863400000000 ] - [ 0.0001214000000000, -0.0000158200000000, -0.0002011100000000 ] - [ 0.0006889100000000, 0.0005498500000000, 0.0005863400000000 ] - [ -0.0001214000000000, -0.0000158200000000, 0.0002011100000000 ] - [ -0.0000733600000000, 0.0002803700000000, 0.0001178100000000 ] - [ -0.0000554800000000, 0.0003648800000000, 0.0003375100000000 ] - [ 0.0000554800000000, 0.0003648800000000, -0.0003375100000000 ] - [ 0.0000733600000000, 0.0002803700000000, -0.0001178100000000 ]- atom: 33 displacement: [ -0.0026967483687124, 0.0000000000000000, 0.0096295144340640 ] forces: - [ 0.0000460200000000, -0.0004903200000000, 0.0001317900000000 ] - [ 0.0000477800000000, 0.0004166600000000, 0.0001315200000000 ] - [ 0.0001095700000000, 0.0000300200000000, -0.0011654200000000 ] - [ 0.0000445700000000, 0.0000429400000000, 0.0003794300000000 ] - [ -0.0008349400000000, -0.0019174000000000, -0.0019106700000000 ] - [ -0.0005276600000000, 0.0000681000000000, 0.0005692300000000 ] - [ -0.0000502300000000, 0.0017113900000000, -0.0018804300000000 ] - [ 0.0002207900000000, -0.0002482800000000, 0.0006023000000000 ] - [ 0.0005497100000000, 0.0001102700000000, -0.0000286800000000 ] - [ 0.0002161600000000, 0.0000250100000000, 0.0000838000000000 ] - [ -0.0005352400000000, 0.0001486700000000, 0.0000570900000000 ] - [ -0.0001936900000000, 0.0000631700000000, -0.0000564800000000 ] - [ -0.0067926600000000, -0.0013636700000000, 0.0044844100000000 ] - [ -0.0000693900000000, 0.0001819100000000, 0.0010095500000000 ] - [ -0.0005102200000000, 0.0000283200000000, 0.0010519900000000 ] - [ -0.0073224000000000, 0.0015909200000000, 0.0045877500000000 ] - [ 0.0006181200000000, 0.0005056900000000, -0.0008312400000000 ] - [ -0.0003824900000000, -0.0002699600000000, 0.0003580500000000 ] - [ 0.0010570800000000, -0.0007057100000000, -0.0008893300000000 ] - [ 0.0000622000000000, 0.0000591200000000, 0.0003136300000000 ] - [ 0.0003602000000000, 0.0005795200000000, 0.0009345500000000 ] - [ -0.0008773200000000, -0.0004252800000000, -0.0001170100000000 ] - [ -0.0005105000000000, 0.0005786100000000, -0.0004614300000000 ] - [ 0.0007249600000000, -0.0004245400000000, 0.0005895400000000 ] - [ 0.0003244000000000, -0.0002922600000000, -0.0013985900000000 ] - [ -0.0000163300000000, 0.0000116800000000, 0.0002372700000000 ] - [ -0.0000312900000000, 0.0001302000000000, -0.0010396900000000 ] - [ -0.0003765300000000, -0.0001675200000000, 0.0005874100000000 ] - [ 0.0015710400000000, -0.0083739300000000, 0.0052744800000000 ] - [ 0.0000775900000000, -0.0000485800000000, 0.0008171500000000 ] - [ -0.0004093000000000, -0.0003392200000000, 0.0005675300000000 ] - [ 0.0011127700000000, 0.0080625000000000, 0.0050378700000000 ] - [ 0.0441416100000000, -0.0002306000000000, -0.0671253000000000 ] - [ -0.0002331300000000, 0.0006125900000000, 0.0008554900000000 ] - [ -0.0000521800000000, -0.0001195700000000, 0.0002644800000000 ] - [ -0.0000512400000000, -0.0011006000000000, 0.0002634900000000 ] - [ 0.0003165600000000, -0.0000273500000000, -0.0000670000000000 ] - [ 0.0002419800000000, 0.0002625200000000, 0.0004454800000000 ] - [ -0.0001655500000000, 0.0004069000000000, -0.0003212100000000 ] - [ -0.0002363900000000, 0.0001168600000000, 0.0001964200000000 ] - [ -0.0001001800000000, 0.0000825900000000, -0.0000953200000000 ] - [ -0.0000970300000000, -0.0001631200000000, -0.0000922300000000 ] - [ -0.0003924000000000, 0.0000344700000000, -0.0004665300000000 ] - [ 0.0002481600000000, 0.0000336000000000, 0.0003414000000000 ] - [ -0.0006633700000000, -0.0003847200000000, -0.0004139300000000 ] - [ -0.0003016100000000, 0.0000555500000000, 0.0002679600000000 ] - [ 0.0000915300000000, 0.0002103300000000, -0.0003879700000000 ] - [ 0.0004515600000000, -0.0002329100000000, 0.0002957000000000 ] - [ -0.0002402900000000, 0.0000460000000000, 0.0001962600000000 ] - [ 0.0010203100000000, 0.0004463300000000, 0.0001892400000000 ] - [ 0.0002741800000000, -0.0002631500000000, 0.0001554300000000 ] - [ -0.0009923300000000, 0.0001355400000000, 0.0001642200000000 ] - [ 0.0003333700000000, 0.0000821000000000, -0.0002888200000000 ] - [ 0.0001814600000000, 0.0001353100000000, 0.0001720900000000 ] - [ -0.0002590300000000, 0.0000765600000000, 0.0002158000000000 ] - [ -0.0001122500000000, 0.0001247400000000, -0.0002396900000000 ] - [ -0.0005691000000000, -0.0002881300000000, -0.0001123800000000 ] - [ -0.0000715000000000, -0.0000454800000000, 0.0002317100000000 ] - [ -0.0001260900000000, 0.0000736000000000, -0.0001561700000000 ] - [ 0.0003693400000000, -0.0001655200000000, 0.0001828100000000 ] - [ -0.0003099000000000, -0.0000015000000000, 0.0005520000000000 ] - [ 0.0006390500000000, 0.0004998100000000, -0.0003592100000000 ] - [ 0.0010063600000000, -0.0003484200000000, -0.0006965800000000 ] - [ 0.0000450200000000, 0.0001623600000000, 0.0001947400000000 ] - [ 0.0001220700000000, 0.0001369400000000, -0.0004278100000000 ] - [ 0.0002595300000000, -0.0003119300000000, 0.0001489600000000 ] - [ -0.0002415200000000, -0.0002956900000000, -0.0000765000000000 ] - [ -0.0001012700000000, 0.0001533200000000, 0.0004968100000000 ] - [ 0.0000444000000000, -0.0000427200000000, -0.0001029900000000 ] - [ 0.0003425600000000, -0.0002852800000000, 0.0002927800000000 ] - [ -0.0001382700000000, -0.0000995800000000, 0.0000378600000000 ] - [ -0.0004337600000000, -0.0003369400000000, -0.0003583100000000 ] - [ -0.0001006900000000, 0.0006081800000000, -0.0001745000000000 ] - [ 0.0000253700000000, 0.0006118000000000, 0.0001591900000000 ] - [ -0.0000160700000000, -0.0007538100000000, -0.0000159500000000 ] - [ -0.0000106100000000, -0.0004653200000000, -0.0000198000000000 ] - [ -0.0000314400000000, 0.0001216200000000, -0.0002316200000000 ] - [ 0.0002384900000000, 0.0002096300000000, 0.0004192900000000 ] - [ -0.0005191800000000, 0.0002691600000000, -0.0004805200000000 ] - [ -0.0002431700000000, 0.0001734800000000, 0.0001681600000000 ] - [ -0.0185187800000000, -0.0181053400000000, 0.0182076000000000 ] - [ 0.0000953600000000, 0.0001023900000000, -0.0007577700000000 ] - [ -0.0189503100000000, 0.0190652100000000, 0.0184041000000000 ] - [ 0.0004048900000000, 0.0000786600000000, -0.0008883400000000 ] - [ -0.0001971000000000, -0.0004060200000000, 0.0000738000000000 ] - [ 0.0004728400000000, 0.0001455800000000, -0.0003945300000000 ] - [ 0.0001624300000000, -0.0003263600000000, -0.0002621800000000 ] - [ -0.0005133000000000, 0.0002286200000000, 0.0002092700000000 ] - [ -0.0028863600000000, 0.0011446100000000, 0.0031249300000000 ] - [ 0.0005518700000000, -0.0005204200000000, -0.0006235800000000 ] - [ -0.0032035800000000, -0.0016916300000000, 0.0032491100000000 ] - [ 0.0002449400000000, -0.0000373800000000, -0.0005196400000000 ] - [ -0.0000309000000000, 0.0003606600000000, 0.0002264000000000 ] - [ -0.0003799200000000, 0.0001608400000000, -0.0001790100000000 ] - [ -0.0000686000000000, 0.0004015700000000, -0.0002853100000000 ] - [ 0.0002727700000000, 0.0002000600000000, 0.0001236400000000 ] - [ 0.0000075500000000, 0.0001870600000000, 0.0004707900000000 ] - [ -0.0002551200000000, 0.0000648100000000, -0.0001894700000000 ] - [ 0.0003176900000000, -0.0000029600000000, 0.0003364300000000 ] - [ 0.0000524100000000, 0.0001183700000000, -0.0003199200000000 ] - [ 0.0004809000000000, -0.0000445900000000, 0.0001483200000000 ] - [ 0.0000059000000000, -0.0002466500000000, -0.0003703000000000 ] - [ -0.0003022500000000, 0.0000619700000000, -0.0002338800000000 ] - [ 0.0001677000000000, -0.0001392800000000, 0.0002815300000000 ] - [ 0.0005778000000000, -0.0004547700000000, 0.0006050200000000 ] - [ -0.0002161900000000, -0.0001027600000000, -0.0005290300000000 ] - [ 0.0002750000000000, -0.0001053800000000, 0.0007118400000000 ] - [ -0.0005208100000000, -0.0004550900000000, -0.0004247100000000 ] - [ -0.0001943500000000, -0.0000763100000000, 0.0004921700000000 ] - [ 0.0000071500000000, 0.0006073200000000, -0.0002034200000000 ] - [ 0.0003143300000000, -0.0000495700000000, -0.0003088700000000 ] - [ 0.0001115800000000, 0.0006369500000000, 0.0003924000000000 ] - [ 0.0016324200000000, 0.0001348300000000, 0.0013275500000000 ] - [ -0.0000063900000000, 0.0000489900000000, -0.0003409800000000 ] - [ 0.0012651000000000, -0.0000039800000000, 0.0009843400000000 ] - [ -0.0003735200000000, 0.0000849700000000, -0.0006823900000000 ] - [ -0.0003448200000000, -0.0001322900000000, 0.0000047500000000 ] - [ -0.0000153600000000, 0.0000693400000000, -0.0003901600000000 ] - [ 0.0003514600000000, -0.0002056300000000, -0.0000450800000000 ] - [ 0.0000240800000000, 0.0000014400000000, 0.0003504900000000 ] - [ 0.0014063500000000, -0.0021091800000000, 0.0003892900000000 ] - [ 0.0001560500000000, 0.0001022500000000, -0.0007674800000000 ] - [ 0.0011410100000000, 0.0020376800000000, 0.0007496900000000 ] - [ -0.0001177800000000, -0.0001814100000000, -0.0004060300000000 ] - [ 0.0010176700000000, -0.0008942300000000, 0.0063333400000000 ] - [ 0.0004098000000000, 0.0006261300000000, -0.0015528600000000 ] - [ 0.0006819300000000, -0.0005460600000000, -0.0019092800000000 ] - [ 0.0014261900000000, 0.0009632300000000, 0.0061862200000000 ] - [ 0.0000917200000000, 0.0000694900000000, 0.0006294900000000 ] - [ 0.0002965400000000, 0.0001076400000000, -0.0002220900000000 ] - [ -0.0002752700000000, 0.0000677800000000, 0.0002860000000000 ] - [ -0.0000718500000000, 0.0000262900000000, -0.0005693200000000 ] - [ 0.0010961200000000, 0.0015078700000000, -0.0005790000000000 ] - [ -0.0007901000000000, -0.0007194800000000, -0.0015395900000000 ] - [ -0.0004216200000000, 0.0005874300000000, -0.0011982300000000 ] - [ 0.0014602800000000, -0.0016461800000000, -0.0002252400000000 ] - [ 0.0003755200000000, -0.0003049600000000, 0.0004887700000000 ] - [ 0.0001004500000000, -0.0001007300000000, -0.0005579900000000 ] - [ 0.0001093700000000, 0.0002290100000000, 0.0008534400000000 ] - [ -0.0001767600000000, 0.0000194600000000, -0.0001978000000000 ] - [ 0.0000011800000000, 0.0001138500000000, 0.0001736400000000 ] - [ -0.0002838600000000, -0.0000691200000000, 0.0000909400000000 ] - [ -0.0000108200000000, 0.0001506000000000, -0.0002727700000000 ] - [ 0.0002732800000000, -0.0000327600000000, -0.0001838900000000 ]- atom: 81 displacement: [ 0.0099999386121055, 0.0000000000000000, -0.0000350393225009 ] forces: - [ 0.0005984500000000, 0.0006887200000000, 0.0002999400000000 ] - [ 0.0002930100000000, 0.0000044800000000, 0.0002550900000000 ] - [ 0.0027705600000000, 0.0007007600000000, 0.0024638800000000 ] - [ 0.0002136700000000, -0.0000061400000000, 0.0002310400000000 ] - [ 0.0320505700000000, 0.0230416300000000, 0.0222340700000000 ] - [ -0.0001737900000000, -0.0000472000000000, 0.0000869400000000 ] - [ -0.0022388900000000, 0.0017276700000000, 0.0011938400000000 ] - [ 0.0007066500000000, -0.0001674200000000, -0.0002251400000000 ] - [ 0.0008772600000000, 0.0003123600000000, -0.0001092200000000 ] - [ 0.0003362700000000, 0.0000765000000000, 0.0001220500000000 ] - [ -0.0000230500000000, 0.0002461600000000, 0.0001448600000000 ] - [ -0.0000748500000000, -0.0002986100000000, 0.0001339200000000 ] - [ 0.0419452700000000, -0.0260966500000000, -0.0344653700000000 ] - [ 0.0002748800000000, 0.0001783200000000, 0.0003176100000000 ] - [ 0.0004534300000000, -0.0003648900000000, -0.0009171500000000 ] - [ -0.0019031800000000, 0.0002840100000000, 0.0016026900000000 ] - [ -0.0002105500000000, -0.0014185300000000, -0.0006201900000000 ] - [ -0.0002867000000000, -0.0001359400000000, 0.0001300100000000 ] - [ 0.0014193200000000, -0.0010722500000000, -0.0000327300000000 ] - [ 0.0003000100000000, 0.0004469200000000, 0.0003053300000000 ] - [ -0.0005398700000000, -0.0002363900000000, -0.0003587300000000 ] - [ -0.0008217800000000, -0.0001219000000000, 0.0001210200000000 ] - [ -0.0010422100000000, 0.0012963100000000, -0.0006730600000000 ] - [ 0.0003464900000000, 0.0000021100000000, -0.0000713300000000 ] - [ -0.0002626200000000, 0.0005470100000000, -0.0020742100000000 ] - [ -0.0006743800000000, 0.0000454800000000, 0.0002298500000000 ] - [ -0.0012998200000000, -0.0001269400000000, -0.0000482800000000 ] - [ -0.0004681800000000, -0.0000667400000000, -0.0000165300000000 ] - [ 0.0201776600000000, -0.0137405500000000, 0.0190114600000000 ] - [ 0.0004355200000000, -0.0002226700000000, 0.0003344100000000 ] - [ 0.0006615700000000, -0.0004563000000000, 0.0002096800000000 ] - [ 0.0024786900000000, 0.0022403700000000, 0.0010088400000000 ] - [ 0.0229176500000000, 0.0217641700000000, -0.0127428900000000 ] - [ 0.0004350500000000, 0.0004472900000000, 0.0003822300000000 ] - [ 0.0009610500000000, 0.0001591500000000, -0.0001028500000000 ] - [ 0.0000247300000000, -0.0008943000000000, 0.0003368500000000 ] - [ 0.0004307900000000, 0.0000798900000000, 0.0003022000000000 ] - [ 0.0005653800000000, 0.0006513000000000, 0.0002675900000000 ] - [ 0.0003969100000000, 0.0004123900000000, -0.0000263200000000 ] - [ -0.0001248700000000, 0.0000946900000000, 0.0000844500000000 ] - [ -0.0007111700000000, -0.0000581800000000, -0.0003558900000000 ] - [ -0.0005267500000000, -0.0000203700000000, -0.0005013000000000 ] - [ -0.0007963500000000, 0.0002880900000000, -0.0005634100000000 ] - [ -0.0002079800000000, 0.0000562500000000, -0.0001377400000000 ] - [ -0.0009375800000000, -0.0001979800000000, -0.0000826200000000 ] - [ -0.0005174800000000, -0.0001377400000000, -0.0001289700000000 ] - [ -0.0000039200000000, 0.0002644400000000, -0.0002927700000000 ] - [ 0.0002650900000000, -0.0000719600000000, 0.0000930100000000 ] - [ -0.0007784900000000, -0.0000784200000000, 0.0002950900000000 ] - [ 0.0002957000000000, 0.0000998600000000, -0.0005129000000000 ] - [ -0.0013787400000000, 0.0003092700000000, -0.0003330100000000 ] - [ -0.0008806200000000, 0.0001130100000000, -0.0000154300000000 ] - [ -0.0003052100000000, 0.0004449200000000, 0.0001682200000000 ] - [ 0.0001118400000000, 0.0001022500000000, -0.0000974600000000 ] - [ -0.0003794400000000, 0.0000965300000000, 0.0001287400000000 ] - [ -0.0002711500000000, -0.0001266900000000, -0.0000704400000000 ] - [ -0.0010948200000000, -0.0005386300000000, 0.0005459100000000 ] - [ -0.0002181500000000, -0.0001389100000000, -0.0002511500000000 ] - [ -0.0004951200000000, -0.0001305500000000, 0.0002904900000000 ] - [ -0.0004122200000000, -0.0001052800000000, -0.0002551200000000 ] - [ -0.0002235200000000, -0.0000417900000000, 0.0006380500000000 ] - [ 0.0005083500000000, -0.0024315000000000, -0.0028117000000000 ] - [ -0.0013861800000000, 0.0018542400000000, -0.0005313900000000 ] - [ 0.0001235100000000, 0.0001657700000000, -0.0000694500000000 ] - [ 0.0001763600000000, 0.0001693900000000, 0.0000485800000000 ] - [ 0.0002593800000000, 0.0005698800000000, -0.0005254100000000 ] - [ 0.0002243900000000, -0.0010015700000000, 0.0006752700000000 ] - [ 0.0000148200000000, -0.0001290900000000, 0.0001954800000000 ] - [ -0.0004510600000000, 0.0002919100000000, -0.0000713300000000 ] - [ 0.0001190100000000, -0.0002029500000000, -0.0000028600000000 ] - [ -0.0004931400000000, -0.0002307600000000, -0.0002283600000000 ] - [ -0.0005940800000000, -0.0002819600000000, -0.0002951700000000 ] - [ -0.0004369700000000, 0.0006087100000000, 0.0000492100000000 ] - [ -0.0001763200000000, 0.0006187200000000, -0.0001520200000000 ] - [ -0.0007564000000000, -0.0006884500000000, 0.0001267000000000 ] - [ -0.0003491200000000, -0.0006217000000000, -0.0002452500000000 ] - [ -0.0005225100000000, -0.0000458100000000, -0.0004002300000000 ] - [ -0.0003757700000000, 0.0000068500000000, 0.0000707300000000 ] - [ -0.0012924800000000, 0.0002336900000000, -0.0002451100000000 ] - [ -0.0005254100000000, 0.0002241900000000, -0.0003399600000000 ] - [ -0.1269407100000000, -0.0047582200000000, 0.0134442500000000 ] - [ -0.0002206000000000, 0.0001184300000000, -0.0002457100000000 ] - [ 0.0071031100000000, -0.0041733300000000, -0.0077420100000000 ] - [ -0.0007089700000000, -0.0001434700000000, 0.0000389400000000 ] - [ -0.0013161100000000, -0.0000766800000000, 0.0008156700000000 ] - [ 0.0002773100000000, 0.0000802500000000, -0.0003273600000000 ] - [ -0.0003566900000000, -0.0004812200000000, -0.0002237400000000 ] - [ -0.0003607900000000, 0.0002203300000000, -0.0003170500000000 ] - [ 0.0051567600000000, -0.0076302100000000, -0.0037739600000000 ] - [ -0.0000199800000000, -0.0004618000000000, -0.0001154500000000 ] - [ -0.0105508300000000, 0.0027733200000000, 0.0032486400000000 ] - [ -0.0002555900000000, -0.0004011400000000, -0.0001929800000000 ] - [ -0.0012089900000000, 0.0001445500000000, -0.0007446800000000 ] - [ -0.0004312600000000, 0.0003626500000000, -0.0000430800000000 ] - [ -0.0000254200000000, -0.0000696600000000, 0.0000720500000000 ] - [ 0.0000762500000000, 0.0003160700000000, -0.0003281100000000 ] - [ 0.0005380100000000, 0.0000339900000000, 0.0001359700000000 ] - [ 0.0000527400000000, 0.0000867000000000, 0.0001774900000000 ] - [ 0.0006690800000000, -0.0000348900000000, 0.0000996400000000 ] - [ 0.0003665300000000, 0.0001497900000000, -0.0000384300000000 ] - [ 0.0012644500000000, 0.0000048600000000, 0.0000069700000000 ] - [ 0.0005528000000000, 0.0001102800000000, 0.0002521600000000 ] - [ 0.0006474400000000, -0.0003539000000000, 0.0003951100000000 ] - [ 0.0006445900000000, 0.0002530600000000, 0.0002594700000000 ] - [ 0.0009681600000000, -0.0009510600000000, 0.0008342800000000 ] - [ 0.0001829100000000, -0.0001673800000000, -0.0000632100000000 ] - [ 0.0005266000000000, -0.0004331600000000, 0.0004224800000000 ] - [ 0.0001915900000000, -0.0001246300000000, 0.0003012600000000 ] - [ 0.0009222600000000, 0.0001658900000000, 0.0002428200000000 ] - [ 0.0002465800000000, 0.0005019400000000, 0.0002228300000000 ] - [ 0.0009924500000000, -0.0000414800000000, -0.0002035400000000 ] - [ 0.0010608800000000, 0.0007404400000000, 0.0007827300000000 ] - [ 0.0052405400000000, -0.0002626600000000, 0.0009296300000000 ] - [ 0.0001300300000000, 0.0000035700000000, 0.0001825500000000 ] - [ 0.0011565800000000, 0.0001734000000000, -0.0001240300000000 ] - [ 0.0000928300000000, 0.0000808000000000, 0.0001870300000000 ] - [ 0.0003933400000000, 0.0001330400000000, 0.0000292600000000 ] - [ 0.0000538900000000, -0.0000893000000000, -0.0001140500000000 ] - [ 0.0006261800000000, -0.0003537000000000, -0.0001233100000000 ] - [ -0.0000802300000000, -0.0004113300000000, 0.0005238400000000 ] - [ -0.0020097100000000, -0.0036174300000000, 0.0024135100000000 ] - [ 0.0000277900000000, -0.0000468400000000, -0.0005847500000000 ] - [ 0.0017060400000000, 0.0016328900000000, -0.0003857100000000 ] - [ -0.0004239600000000, 0.0001336300000000, 0.0000798500000000 ] - [ 0.0037818600000000, 0.0039983400000000, 0.0046404900000000 ] - [ 0.0001353000000000, 0.0002099400000000, -0.0005015400000000 ] - [ 0.0018613600000000, -0.0008366600000000, -0.0040026600000000 ] - [ -0.0030684400000000, -0.0007777900000000, -0.0018954100000000 ] - [ 0.0000127400000000, -0.0002890900000000, -0.0001205800000000 ] - [ 0.0000806400000000, 0.0000051200000000, 0.0001963200000000 ] - [ -0.0009307300000000, 0.0006658200000000, -0.0003908900000000 ] - [ -0.0002924800000000, -0.0000048800000000, -0.0003339700000000 ] - [ -0.0012517100000000, 0.0060653800000000, -0.0053638500000000 ] - [ -0.0008712600000000, -0.0005345000000000, -0.0000401600000000 ] - [ 0.0010362900000000, -0.0013476200000000, 0.0033985600000000 ] - [ 0.0004838700000000, -0.0007120400000000, -0.0007976300000000 ] - [ 0.0015223600000000, -0.0004677400000000, -0.0001078500000000 ] - [ 0.0003428000000000, 0.0000172600000000, 0.0001128800000000 ] - [ 0.0024134800000000, 0.0014104100000000, 0.0008885200000000 ] - [ -0.0000140600000000, 0.0000057300000000, 0.0001267600000000 ] - [ 0.0001161600000000, 0.0002080900000000, -0.0000773900000000 ] - [ 0.0001023400000000, 0.0004121800000000, 0.0007062700000000 ] - [ 0.0005899000000000, -0.0003428000000000, 0.0001941900000000 ] - [ 0.0004653400000000, -0.0000334600000000, -0.0001742000000000 ]- atom: 81 displacement: [ -0.0099999386121055, 0.0000000000000000, 0.0000350393225009 ] forces: - [ -0.0006061100000000, -0.0007728000000000, -0.0003059900000000 ] - [ -0.0002892200000000, -0.0000907200000000, -0.0002494500000000 ] - [ -0.0027536700000000, -0.0006266000000000, -0.0024498000000000 ] - [ -0.0002214600000000, 0.0000826900000000, -0.0002371000000000 ] - [ -0.0324594400000000, -0.0225248400000000, -0.0216369500000000 ] - [ -0.0005615200000000, -0.0001200600000000, -0.0001106600000000 ] - [ 0.0029770300000000, -0.0019087200000000, -0.0011632800000000 ] - [ 0.0000371100000000, -0.0000035600000000, 0.0002505400000000 ] - [ -0.0001326900000000, -0.0001405000000000, 0.0001371700000000 ] - [ 0.0004018300000000, 0.0000998600000000, -0.0000882200000000 ] - [ -0.0007071100000000, -0.0000776300000000, -0.0001686600000000 ] - [ -0.0006613800000000, 0.0004658800000000, -0.0001585300000000 ] - [ -0.0406794800000000, 0.0253776300000000, 0.0331945800000000 ] - [ 0.0001769400000000, 0.0000307000000000, -0.0003581300000000 ] - [ -0.0008978600000000, 0.0005785800000000, 0.0009485900000000 ] - [ 0.0014470500000000, -0.0000603600000000, -0.0015618400000000 ] - [ -0.0002276700000000, 0.0012012300000000, 0.0006422100000000 ] - [ -0.0001508000000000, -0.0000837200000000, -0.0001057900000000 ] - [ -0.0009658800000000, 0.0008662900000000, -0.0000082500000000 ] - [ 0.0001549500000000, -0.0006533300000000, -0.0003475700000000 ] - [ 0.0001614800000000, 0.0003832700000000, 0.0006937400000000 ] - [ 0.0004413500000000, 0.0002683700000000, 0.0002131300000000 ] - [ 0.0014163600000000, -0.0011449300000000, 0.0003418200000000 ] - [ 0.0000184600000000, 0.0001572300000000, -0.0002759600000000 ] - [ 0.0006392800000000, -0.0006874000000000, 0.0017339500000000 ] - [ 0.0010439300000000, -0.0002020900000000, -0.0005703000000000 ] - [ 0.0009204200000000, -0.0000196500000000, 0.0003809800000000 ] - [ 0.0000909500000000, -0.0000846300000000, 0.0003544500000000 ] - [ -0.0200180600000000, 0.0138874600000000, -0.0193975700000000 ] - [ 0.0000430000000000, -0.0001516800000000, -0.0000892400000000 ] - [ -0.0011483300000000, 0.0000757900000000, -0.0004475800000000 ] - [ -0.0029532300000000, -0.0026142000000000, -0.0012630900000000 ] - [ -0.0234273900000000, -0.0213331700000000, 0.0133221100000000 ] - [ -0.0004405900000000, 0.0007604900000000, -0.0003806100000000 ] - [ -0.0009686700000000, -0.0013605600000000, 0.0001099200000000 ] - [ -0.0000326400000000, -0.0003149900000000, -0.0003307000000000 ] - [ 0.0000535000000000, 0.0002984700000000, -0.0000657500000000 ] - [ -0.0000898900000000, -0.0002788700000000, -0.0000250200000000 ] - [ -0.0008877900000000, -0.0000266100000000, -0.0002173500000000 ] - [ -0.0003644900000000, 0.0002871700000000, -0.0003353500000000 ] - [ 0.0007119600000000, -0.0000267900000000, 0.0003597400000000 ] - [ 0.0005186300000000, -0.0000529900000000, 0.0004948100000000 ] - [ 0.0007955000000000, -0.0002071200000000, 0.0005656700000000 ] - [ 0.0002181100000000, 0.0000282000000000, 0.0001509800000000 ] - [ 0.0002020700000000, 0.0000334500000000, 0.0000627700000000 ] - [ -0.0002213300000000, -0.0000240700000000, 0.0001118400000000 ] - [ 0.0007446100000000, -0.0004386800000000, 0.0003251000000000 ] - [ 0.0004711800000000, -0.0001110400000000, -0.0000556300000000 ] - [ 0.0015167000000000, 0.0002557700000000, -0.0002594500000000 ] - [ 0.0004521200000000, 0.0000690200000000, 0.0005368500000000 ] - [ 0.0006454600000000, -0.0001460300000000, 0.0003134500000000 ] - [ 0.0001458800000000, 0.0000458700000000, -0.0000001000000000 ] - [ 0.0007600400000000, -0.0002374800000000, -0.0002076400000000 ] - [ 0.0003422200000000, 0.0001051400000000, 0.0000578300000000 ] - [ -0.0000571600000000, 0.0001219100000000, -0.0001055800000000 ] - [ -0.0001678500000000, 0.0003482400000000, 0.0000954700000000 ] - [ 0.0006547700000000, 0.0003147200000000, -0.0005221000000000 ] - [ -0.0002216100000000, -0.0000804800000000, 0.0002743700000000 ] - [ 0.0009533000000000, -0.0000744300000000, -0.0003357100000000 ] - [ 0.0008673700000000, -0.0001018300000000, 0.0002134000000000 ] - [ -0.0001483100000000, 0.0001959500000000, -0.0002954100000000 ] - [ -0.0008909400000000, 0.0025747800000000, 0.0031438200000000 ] - [ 0.0017391700000000, -0.0016800300000000, 0.0001883200000000 ] - [ 0.0002559600000000, -0.0000194300000000, -0.0002607600000000 ] - [ 0.0001913800000000, -0.0003291100000000, -0.0003934700000000 ] - [ 0.0001187200000000, -0.0007143600000000, 0.0001933400000000 ] - [ -0.0005958000000000, 0.0008435700000000, -0.0003312000000000 ] - [ -0.0003907100000000, -0.0000213300000000, 0.0001424500000000 ] - [ 0.0009278100000000, -0.0006654900000000, 0.0003102700000000 ] - [ 0.0003638900000000, -0.0001787200000000, 0.0002357700000000 ] - [ 0.0000072700000000, -0.0001475800000000, -0.0000271600000000 ] - [ 0.0001032900000000, -0.0001017000000000, 0.0000442900000000 ] - [ 0.0004237500000000, 0.0005990300000000, -0.0000394900000000 ] - [ 0.0001637800000000, 0.0005893500000000, 0.0001599900000000 ] - [ 0.0007433500000000, -0.0005189100000000, -0.0001174400000000 ] - [ 0.0003343700000000, -0.0005860300000000, 0.0002544500000000 ] - [ 0.0009901500000000, 0.0004089500000000, 0.0006409600000000 ] - [ 0.0008543300000000, 0.0003684600000000, 0.0001643900000000 ] - [ 0.0007989600000000, 0.0001498100000000, -0.0000042300000000 ] - [ 0.0000378700000000, 0.0001536900000000, 0.0000878800000000 ] - [ 0.1265678000000000, 0.0054781800000000, -0.0125268600000000 ] - [ -0.0001047000000000, 0.0000831400000000, 0.0003899500000000 ] - [ -0.0068239100000000, 0.0043443100000000, 0.0076429200000000 ] - [ 0.0010299700000000, 0.0003440100000000, -0.0001774500000000 ] - [ 0.0016308300000000, -0.0001242900000000, -0.0009472300000000 ] - [ 0.0000414300000000, -0.0002816200000000, 0.0001896100000000 ] - [ 0.0000371900000000, 0.0002792900000000, 0.0003630400000000 ] - [ 0.0000325600000000, -0.0004226100000000, 0.0004581700000000 ] - [ -0.0048588700000000, 0.0070809900000000, 0.0036426600000000 ] - [ 0.0003376300000000, -0.0001038200000000, 0.0000224300000000 ] - [ 0.0102114500000000, -0.0033342900000000, -0.0031507100000000 ] - [ -0.0000617400000000, -0.0001655700000000, 0.0002831200000000 ] - [ 0.0008959600000000, 0.0004223800000000, 0.0008370400000000 ] - [ 0.0001126300000000, 0.0002033800000000, 0.0001344100000000 ] - [ 0.0003427100000000, 0.0006332800000000, -0.0001659700000000 ] - [ 0.0002398400000000, 0.0002498700000000, 0.0002341200000000 ] - [ -0.0008641400000000, 0.0001667400000000, 0.0000009500000000 ] - [ -0.0003757300000000, 0.0001135800000000, -0.0000401500000000 ] - [ -0.0003481500000000, 0.0002327600000000, -0.0002375100000000 ] - [ -0.0000487300000000, 0.0000497100000000, -0.0000979400000000 ] - [ -0.0009447100000000, -0.0002051900000000, -0.0001459000000000 ] - [ -0.0002277500000000, -0.0003084100000000, -0.0003886400000000 ] - [ -0.0009734800000000, 0.0001527300000000, -0.0002553800000000 ] - [ -0.0009697700000000, -0.0004536100000000, -0.0001133200000000 ] - [ -0.0006489400000000, 0.0003825900000000, -0.0009335700000000 ] - [ 0.0001347300000000, -0.0003994300000000, -0.0000318800000000 ] - [ -0.0008438800000000, -0.0001340600000000, -0.0003313700000000 ] - [ -0.0005120400000000, -0.0004425700000000, -0.0002099900000000 ] - [ -0.0012387500000000, 0.0003987500000000, -0.0001518000000000 ] - [ -0.0005623100000000, 0.0000672100000000, -0.0001280400000000 ] - [ -0.0006752800000000, 0.0006060800000000, 0.0001060200000000 ] - [ -0.0007368700000000, -0.0001661000000000, -0.0008717900000000 ] - [ -0.0048261900000000, 0.0003966500000000, -0.0005890500000000 ] - [ 0.0002572600000000, 0.0001359900000000, 0.0001668600000000 ] - [ -0.0015419100000000, -0.0000491600000000, -0.0002285500000000 ] - [ -0.0004848000000000, 0.0000453500000000, -0.0005373600000000 ] - [ -0.0007830200000000, -0.0002582800000000, -0.0003820100000000 ] - [ -0.0004383400000000, -0.0000460600000000, -0.0002416500000000 ] - [ -0.0002369600000000, 0.0002124400000000, 0.0004687100000000 ] - [ 0.0004751700000000, 0.0002730400000000, -0.0001721400000000 ] - [ 0.0022831600000000, 0.0035068200000000, -0.0027722500000000 ] - [ 0.0002490200000000, -0.0000552300000000, 0.0002274100000000 ] - [ -0.0019922600000000, -0.0017268000000000, 0.0007458500000000 ] - [ 0.0001232000000000, -0.0002375600000000, 0.0002806700000000 ] - [ -0.0041102200000000, -0.0039170500000000, -0.0043070000000000 ] - [ -0.0004265300000000, -0.0001016000000000, 0.0008588100000000 ] - [ -0.0015719900000000, 0.0009341000000000, 0.0036385400000000 ] - [ 0.0033514900000000, 0.0008867800000000, 0.0015303700000000 ] - [ 0.0003732400000000, 0.0004297000000000, 0.0004617600000000 ] - [ 0.0003119500000000, 0.0001284500000000, 0.0001523900000000 ] - [ 0.0005445000000000, -0.0005393800000000, 0.0000394600000000 ] - [ -0.0000895900000000, 0.0001394000000000, -0.0000165700000000 ] - [ 0.0008528200000000, -0.0061640200000000, 0.0049947900000000 ] - [ 0.0004852000000000, 0.0004097900000000, -0.0003124500000000 ] - [ -0.0006529400000000, 0.0012073200000000, -0.0030418500000000 ] - [ -0.0000972800000000, 0.0005711000000000, 0.0011543700000000 ] - [ -0.0012392300000000, 0.0003664100000000, -0.0002527200000000 ] - [ -0.0000585700000000, -0.0001241300000000, -0.0004721700000000 ] - [ -0.0027165300000000, -0.0015174800000000, -0.0005277700000000 ] - [ -0.0002722300000000, -0.0001100400000000, 0.0002339100000000 ] - [ -0.0004127800000000, -0.0001020300000000, 0.0004385600000000 ] - [ -0.0003952600000000, -0.0003067500000000, -0.0003459600000000 ] - [ -0.0003074000000000, 0.0004449000000000, -0.0005490800000000 ] - [ -0.0001865200000000, 0.0001381900000000, -0.0001901400000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001083400000000, -0.0010083300000000, 0.0002539600000000 ] - [ 0.0001066200000000, -0.0002540300000000, -0.0000951900000000 ] - [ 0.0014786700000000, -0.0024808700000000, -0.0008275600000000 ] - [ -0.0000126800000000, 0.0001454000000000, 0.0000472800000000 ] - [ 0.0229422400000000, 0.0259331000000000, 0.0229843200000000 ] - [ -0.0004348100000000, 0.0001396400000000, 0.0000980900000000 ] - [ 0.0009216000000000, 0.0025187800000000, -0.0020212400000000 ] - [ 0.0001794700000000, 0.0001100000000000, 0.0002311300000000 ] - [ 0.0002623000000000, -0.0005390600000000, -0.0001612000000000 ] - [ 0.0003306900000000, -0.0001328200000000, -0.0000275500000000 ] - [ -0.0003338600000000, -0.0005461700000000, 0.0002467900000000 ] - [ -0.0002393100000000, -0.0004242500000000, 0.0000910400000000 ] - [ -0.0233809300000000, 0.0248231700000000, 0.0226713700000000 ] - [ 0.0001270800000000, 0.0004042700000000, 0.0001960200000000 ] - [ -0.0004160100000000, 0.0009586200000000, 0.0003159100000000 ] - [ -0.0032289400000000, 0.0015465600000000, 0.0024289100000000 ] - [ -0.0004404500000000, -0.0008696000000000, -0.0004780900000000 ] - [ -0.0002795000000000, -0.0002839300000000, 0.0001023800000000 ] - [ 0.0002241400000000, -0.0011087800000000, 0.0005934000000000 ] - [ 0.0002401100000000, -0.0007410900000000, -0.0001489200000000 ] - [ -0.0002208100000000, 0.0000346600000000, -0.0000108400000000 ] - [ -0.0004590600000000, -0.0001091400000000, 0.0002383400000000 ] - [ 0.0008407000000000, -0.0004939400000000, -0.0000088400000000 ] - [ 0.0003534300000000, -0.0000448400000000, 0.0000934000000000 ] - [ 0.0012255800000000, 0.0009411100000000, 0.0013162000000000 ] - [ 0.0007312600000000, -0.0000661600000000, -0.0004996600000000 ] - [ -0.0006831300000000, 0.0002201600000000, -0.0003336500000000 ] - [ -0.0002651400000000, -0.0000023800000000, 0.0003240100000000 ] - [ -0.0139646200000000, 0.0169987400000000, -0.0162922500000000 ] - [ 0.0002656300000000, -0.0000018300000000, 0.0001316100000000 ] - [ -0.0006272800000000, 0.0003882000000000, 0.0002248300000000 ] - [ 0.0021342700000000, 0.0027872100000000, -0.0000496400000000 ] - [ 0.0182637200000000, 0.0338124000000000, -0.0137737200000000 ] - [ -0.0002806100000000, 0.0009169300000000, -0.0000621000000000 ] - [ -0.0000531700000000, -0.0014342400000000, -0.0003435100000000 ] - [ -0.0000987600000000, -0.0010031300000000, 0.0002199700000000 ] - [ 0.0002021400000000, -0.0004261400000000, -0.0000391900000000 ] - [ 0.0000967500000000, -0.0003461700000000, 0.0000286000000000 ] - [ -0.0001899800000000, -0.0007701900000000, 0.0000189700000000 ] - [ -0.0002066300000000, -0.0000364600000000, -0.0000616400000000 ] - [ 0.0002125700000000, 0.0001237600000000, -0.0000480100000000 ] - [ 0.0001614300000000, 0.0002904500000000, 0.0002795100000000 ] - [ 0.0002269500000000, -0.0002928700000000, 0.0002008600000000 ] - [ 0.0000746600000000, -0.0000057100000000, 0.0000148000000000 ] - [ -0.0004640200000000, -0.0004712200000000, -0.0001763300000000 ] - [ -0.0003436500000000, -0.0002220900000000, -0.0000333400000000 ] - [ 0.0006475100000000, -0.0007500500000000, 0.0004169700000000 ] - [ 0.0004448200000000, -0.0002513700000000, 0.0000311500000000 ] - [ 0.0014801000000000, 0.0005894300000000, -0.0001281400000000 ] - [ 0.0002276100000000, 0.0006747600000000, -0.0004048500000000 ] - [ 0.0000826000000000, 0.0005149700000000, -0.0002583400000000 ] - [ -0.0007353200000000, 0.0002885800000000, 0.0000027500000000 ] - [ 0.0005846300000000, -0.0002203700000000, -0.0001926800000000 ] - [ 0.0002400400000000, -0.0000314800000000, 0.0000043600000000 ] - [ -0.0002789600000000, -0.0000612000000000, 0.0000803300000000 ] - [ -0.0004094100000000, -0.0007106800000000, 0.0000098200000000 ] - [ -0.0014483900000000, 0.0004054400000000, 0.0007966800000000 ] - [ -0.0002631900000000, 0.0000124200000000, -0.0001739500000000 ] - [ 0.0002195100000000, 0.0000593900000000, -0.0001131700000000 ] - [ 0.0006778800000000, 0.0000310000000000, 0.0001335400000000 ] - [ -0.0005129400000000, -0.0000878200000000, 0.0008927400000000 ] - [ -0.0000941700000000, -0.0014823700000000, -0.0018275600000000 ] - [ 0.0016074100000000, -0.0012002300000000, -0.0000461100000000 ] - [ 0.0001723400000000, 0.0000812800000000, -0.0001508200000000 ] - [ 0.0004125400000000, -0.0001949100000000, -0.0004223900000000 ] - [ 0.0002401000000000, -0.0008306300000000, 0.0001518100000000 ] - [ -0.0002782700000000, -0.0011381200000000, 0.0007799400000000 ] - [ -0.0000932600000000, -0.0002242100000000, 0.0001146900000000 ] - [ 0.0004704900000000, -0.0006617700000000, 0.0001855500000000 ] - [ 0.0002851100000000, -0.0003787200000000, 0.0001587500000000 ] - [ -0.0002156500000000, -0.0003604200000000, -0.0001683200000000 ] - [ -0.0003487000000000, -0.0005335000000000, -0.0000463800000000 ] - [ -0.0001147700000000, 0.0002364800000000, 0.0000720500000000 ] - [ 0.0000178000000000, 0.0004644900000000, -0.0000191100000000 ] - [ 0.0001072100000000, -0.0002564300000000, 0.0000850100000000 ] - [ -0.0002642100000000, -0.0003703900000000, -0.0002300300000000 ] - [ -0.0001196900000000, 0.0008368100000000, 0.0001877200000000 ] - [ 0.0006979800000000, 0.0004551000000000, -0.0000025100000000 ] - [ -0.0000049300000000, 0.0006997700000000, -0.0002178600000000 ] - [ -0.0004547800000000, 0.0003862900000000, -0.0002168300000000 ] - [ -0.0053578300000000, -0.1120596500000000, -0.0138257100000000 ] - [ -0.0001504800000000, -0.0001599300000000, 0.0000481200000000 ] - [ 0.0044194100000000, -0.0110781000000000, -0.0039447900000000 ] - [ 0.0004164100000000, -0.0002141600000000, -0.0003334100000000 ] - [ 0.0001942900000000, 0.0007911000000000, -0.0001308800000000 ] - [ 0.0003538200000000, 0.0002274200000000, -0.0001961200000000 ] - [ -0.0004919000000000, 0.0006558100000000, 0.0002357300000000 ] - [ 0.0002081500000000, 0.0006562000000000, -0.0002288500000000 ] - [ -0.0066089100000000, 0.0045893000000000, 0.0026829500000000 ] - [ 0.0003036400000000, -0.0003249400000000, -0.0001678900000000 ] - [ -0.0052965500000000, 0.0052278200000000, 0.0074714200000000 ] - [ -0.0002633200000000, -0.0004067600000000, -0.0002054300000000 ] - [ -0.0003317800000000, 0.0013000400000000, -0.0001606400000000 ] - [ -0.0001695200000000, 0.0006005600000000, 0.0001494400000000 ] - [ -0.0000717600000000, 0.0010223400000000, -0.0002744800000000 ] - [ 0.0000724100000000, 0.0006913600000000, 0.0000473900000000 ] - [ -0.0002386500000000, 0.0005898800000000, 0.0001229900000000 ] - [ -0.0001870900000000, 0.0002584800000000, 0.0000252300000000 ] - [ 0.0003035900000000, 0.0007620700000000, -0.0004309200000000 ] - [ 0.0001225200000000, 0.0003074900000000, -0.0000826000000000 ] - [ 0.0002761600000000, -0.0014165000000000, -0.0008617700000000 ] - [ 0.0003851200000000, -0.0000645000000000, 0.0001831200000000 ] - [ -0.0005270200000000, -0.0003461700000000, -0.0000080800000000 ] - [ 0.0000816800000000, -0.0003449500000000, 0.0001943200000000 ] - [ -0.0002150900000000, 0.0003031000000000, -0.0004707300000000 ] - [ 0.0000157800000000, -0.0001102000000000, -0.0001036800000000 ] - [ -0.0002000600000000, 0.0001114500000000, -0.0000404200000000 ] - [ -0.0001734800000000, -0.0001402300000000, 0.0000846500000000 ] - [ -0.0003429100000000, -0.0004509900000000, 0.0005770700000000 ] - [ -0.0000939800000000, 0.0000651300000000, -0.0001311400000000 ] - [ -0.0002725700000000, 0.0004240700000000, 0.0002474400000000 ] - [ 0.0000588400000000, -0.0013807200000000, -0.0006390800000000 ] - [ -0.0019865300000000, -0.0015386400000000, -0.0018989300000000 ] - [ 0.0000089800000000, -0.0002375000000000, 0.0004280600000000 ] - [ 0.0004234800000000, -0.0003892700000000, 0.0000747500000000 ] - [ -0.0003195500000000, -0.0001613900000000, -0.0002766200000000 ] - [ -0.0000931300000000, 0.0002000800000000, 0.0000038600000000 ] - [ -0.0001100400000000, 0.0000826700000000, -0.0002985400000000 ] - [ -0.0000440700000000, 0.0002759600000000, 0.0003591700000000 ] - [ -0.0000587700000000, 0.0004162800000000, -0.0000820800000000 ] - [ -0.0015881500000000, 0.0050674900000000, -0.0003236800000000 ] - [ 0.0001570300000000, 0.0000441300000000, -0.0001012900000000 ] - [ 0.0012095800000000, 0.0018057500000000, -0.0002333900000000 ] - [ -0.0000156800000000, -0.0001056200000000, 0.0002880200000000 ] - [ 0.0026166500000000, -0.0021827900000000, 0.0040510400000000 ] - [ 0.0000785100000000, 0.0001664200000000, -0.0005835200000000 ] - [ -0.0007595800000000, 0.0011423800000000, 0.0028883600000000 ] - [ -0.0015412300000000, -0.0010625000000000, -0.0030944400000000 ] - [ -0.0002378500000000, 0.0013002400000000, 0.0001058700000000 ] - [ 0.0002901900000000, 0.0002394200000000, 0.0000795100000000 ] - [ 0.0000483900000000, 0.0015604500000000, -0.0000852600000000 ] - [ -0.0002137300000000, 0.0003704700000000, -0.0002575300000000 ] - [ 0.0063161200000000, 0.0037535800000000, -0.0073878600000000 ] - [ -0.0005636500000000, -0.0003445000000000, 0.0003531200000000 ] - [ -0.0004026000000000, 0.0015565800000000, -0.0027108500000000 ] - [ 0.0000178500000000, -0.0006458300000000, 0.0002944400000000 ] - [ -0.0002380000000000, -0.0002044500000000, 0.0001385000000000 ] - [ 0.0001865400000000, -0.0000489700000000, -0.0002942800000000 ] - [ 0.0024401100000000, 0.0025033500000000, 0.0010559600000000 ] - [ -0.0001468400000000, -0.0001883900000000, 0.0002303600000000 ] - [ 0.0001205900000000, 0.0004600100000000, -0.0000293400000000 ] - [ 0.0000571000000000, 0.0004527800000000, 0.0006567700000000 ] - [ -0.0001204100000000, 0.0004442400000000, -0.0003912600000000 ] - [ 0.0001837100000000, 0.0002125400000000, -0.0001362400000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001102900000000, 0.0009088300000000, -0.0002530200000000 ] - [ -0.0001051400000000, 0.0001503200000000, 0.0001001500000000 ] - [ -0.0014756100000000, 0.0025650500000000, 0.0008261800000000 ] - [ 0.0000051300000000, -0.0000512200000000, -0.0000532800000000 ] - [ -0.0229021600000000, -0.0256196800000000, -0.0222445200000000 ] - [ -0.0002966400000000, -0.0003118200000000, -0.0001251100000000 ] - [ -0.0001903500000000, -0.0026979900000000, 0.0020469200000000 ] - [ 0.0005545000000000, -0.0002825300000000, -0.0002048700000000 ] - [ 0.0004666000000000, 0.0007065100000000, 0.0001876000000000 ] - [ 0.0003990700000000, 0.0003084100000000, 0.0000619800000000 ] - [ -0.0004009100000000, 0.0007142200000000, -0.0002732600000000 ] - [ -0.0004935600000000, 0.0005951800000000, -0.0001197700000000 ] - [ 0.0243329700000000, -0.0246051400000000, -0.0231699200000000 ] - [ 0.0003425900000000, -0.0001963200000000, -0.0002384900000000 ] - [ -0.0000427700000000, -0.0007450500000000, -0.0002784100000000 ] - [ 0.0027678000000000, -0.0013342200000000, -0.0023920900000000 ] - [ -0.0000183900000000, 0.0006535500000000, 0.0005124100000000 ] - [ -0.0001794100000000, 0.0000659300000000, -0.0000716000000000 ] - [ 0.0002425000000000, 0.0008941000000000, -0.0006335500000000 ] - [ 0.0002293100000000, 0.0005268300000000, 0.0001105300000000 ] - [ -0.0001424000000000, 0.0001255300000000, 0.0003597200000000 ] - [ 0.0000975700000000, 0.0002724300000000, 0.0001144500000000 ] - [ -0.0004746500000000, 0.0006502700000000, -0.0003361700000000 ] - [ 0.0000090500000000, 0.0002074100000000, -0.0004471600000000 ] - [ -0.0008638900000000, -0.0011022700000000, -0.0016688100000000 ] - [ -0.0003744400000000, -0.0001038900000000, 0.0001405800000000 ] - [ 0.0003153000000000, -0.0003772600000000, 0.0006766900000000 ] - [ -0.0001048200000000, -0.0001523700000000, 0.0000155100000000 ] - [ 0.0139991100000000, -0.0171917600000000, 0.0160641400000000 ] - [ 0.0002086600000000, -0.0003709200000000, 0.0001082100000000 ] - [ 0.0001390500000000, -0.0007721000000000, -0.0004637000000000 ] - [ -0.0026182600000000, -0.0031724000000000, -0.0001978400000000 ] - [ -0.0190606900000000, -0.0331904200000000, 0.0143712200000000 ] - [ 0.0002758100000000, 0.0003000000000000, 0.0000649600000000 ] - [ 0.0000538100000000, 0.0002198000000000, 0.0003469100000000 ] - [ 0.0000976500000000, -0.0002190100000000, -0.0002181500000000 ] - [ 0.0002820200000000, 0.0008048100000000, 0.0002832000000000 ] - [ 0.0003818500000000, 0.0007192100000000, 0.0002126600000000 ] - [ -0.0002941700000000, 0.0011468600000000, -0.0002616900000000 ] - [ -0.0002800200000000, 0.0004130500000000, -0.0001802500000000 ] - [ -0.0002046200000000, -0.0002236600000000, 0.0000577400000000 ] - [ -0.0001586100000000, -0.0003826200000000, -0.0002764700000000 ] - [ -0.0002289900000000, 0.0003914800000000, -0.0002007500000000 ] - [ -0.0000716500000000, 0.0001013100000000, -0.0000116700000000 ] - [ -0.0002663900000000, 0.0003013800000000, 0.0001516200000000 ] - [ -0.0003886500000000, 0.0000539300000000, 0.0000113500000000 ] - [ 0.0000836900000000, 0.0005745100000000, -0.0003853800000000 ] - [ 0.0002848700000000, 0.0000728600000000, 0.0000027700000000 ] - [ -0.0007533800000000, -0.0004150000000000, 0.0001640200000000 ] - [ 0.0004994000000000, -0.0005110500000000, 0.0004278600000000 ] - [ -0.0008119600000000, -0.0003544200000000, 0.0002408300000000 ] - [ 0.0000038700000000, -0.0001312900000000, -0.0000204200000000 ] - [ -0.0001164400000000, 0.0004271800000000, 0.0001493600000000 ] - [ 0.0002318900000000, 0.0002388700000000, -0.0000491400000000 ] - [ -0.0001783700000000, 0.0002780600000000, -0.0000480900000000 ] - [ -0.0000488000000000, 0.0009266700000000, 0.0000208100000000 ] - [ 0.0009813200000000, -0.0006234700000000, -0.0007627300000000 ] - [ -0.0001990400000000, -0.0002300100000000, 0.0002108400000000 ] - [ 0.0002551200000000, -0.0002697000000000, 0.0000681100000000 ] - [ -0.0002079200000000, -0.0002417000000000, -0.0001796000000000 ] - [ 0.0001532600000000, 0.0002482700000000, -0.0005347100000000 ] - [ -0.0002736400000000, 0.0016512500000000, 0.0021911600000000 ] - [ -0.0012570000000000, 0.0013749100000000, -0.0003036100000000 ] - [ 0.0001964900000000, 0.0000732800000000, -0.0001927900000000 ] - [ -0.0000535900000000, 0.0000254200000000, 0.0000628800000000 ] - [ 0.0001271600000000, 0.0006703700000000, -0.0004992800000000 ] - [ -0.0000836600000000, 0.0009724400000000, -0.0004306100000000 ] - [ -0.0002683900000000, 0.0000608900000000, 0.0002354900000000 ] - [ 0.0000089300000000, 0.0002831800000000, 0.0000561300000000 ] - [ 0.0001944400000000, 0.0000007000000000, 0.0000820500000000 ] - [ -0.0002714300000000, -0.0000202400000000, -0.0000768300000000 ] - [ -0.0001374600000000, 0.0001522800000000, -0.0001948400000000 ] - [ 0.0001085600000000, 0.0009795900000000, -0.0000680300000000 ] - [ -0.0000228400000000, 0.0007543200000000, 0.0000231100000000 ] - [ -0.0001126700000000, -0.0009636500000000, -0.0000816700000000 ] - [ 0.0002604600000000, -0.0008446100000000, 0.0002336300000000 ] - [ 0.0005920900000000, -0.0004715300000000, 0.0000489300000000 ] - [ -0.0002183500000000, -0.0000792900000000, 0.0002426800000000 ] - [ -0.0004778100000000, -0.0003278900000000, -0.0000243300000000 ] - [ -0.0000274300000000, -0.0000159300000000, -0.0000271300000000 ] - [ 0.0049708300000000, 0.1123376500000000, 0.0136202800000000 ] - [ -0.0001763000000000, 0.0003517100000000, 0.0000958500000000 ] - [ -0.0040840500000000, 0.0112946600000000, 0.0038053300000000 ] - [ -0.0000840400000000, 0.0004031100000000, 0.0001950300000000 ] - [ 0.0001359700000000, -0.0009872800000000, -0.0000105700000000 ] - [ -0.0000252800000000, -0.0004212900000000, 0.0000560700000000 ] - [ 0.0001624900000000, -0.0008542700000000, -0.0000915900000000 ] - [ -0.0005399000000000, -0.0008517000000000, 0.0003670300000000 ] - [ 0.0069098100000000, -0.0051479200000000, -0.0028149800000000 ] - [ 0.0000210200000000, -0.0002473500000000, 0.0000747600000000 ] - [ 0.0049977200000000, -0.0057644900000000, -0.0073375400000000 ] - [ -0.0000529500000000, -0.0001698900000000, 0.0003024000000000 ] - [ 0.0000093900000000, -0.0007323600000000, 0.0002516200000000 ] - [ -0.0001535200000000, -0.0000331200000000, -0.0000591600000000 ] - [ 0.0003942900000000, -0.0004516700000000, 0.0001784800000000 ] - [ 0.0002517300000000, -0.0001156100000000, -0.0001452000000000 ] - [ -0.0000924400000000, -0.0003994700000000, 0.0000154000000000 ] - [ -0.0001455900000000, -0.0000667100000000, 0.0001137000000000 ] - [ 0.0000239700000000, -0.0005745300000000, 0.0002917500000000 ] - [ 0.0002067500000000, -0.0001161700000000, -0.0000562400000000 ] - [ 0.0000554600000000, 0.0012222900000000, 0.0007158100000000 ] - [ -0.0000541700000000, -0.0001273900000000, -0.0003217000000000 ] - [ 0.0001928700000000, 0.0001512700000000, 0.0001479300000000 ] - [ -0.0004121500000000, 0.0001521900000000, -0.0000554300000000 ] - [ 0.0005312100000000, -0.0008773100000000, 0.0003641800000000 ] - [ 0.0003078700000000, -0.0004652000000000, 0.0000069000000000 ] - [ -0.0001213800000000, -0.0006872900000000, 0.0001310500000000 ] - [ -0.0001497500000000, -0.0004320700000000, 0.0000068900000000 ] - [ 0.0000195600000000, 0.0010198400000000, -0.0004872200000000 ] - [ -0.0002261400000000, 0.0005038100000000, 0.0002279700000000 ] - [ 0.0005966300000000, 0.0001480700000000, -0.0003464300000000 ] - [ 0.0002641900000000, 0.0019575700000000, 0.0005431900000000 ] - [ 0.0023478200000000, 0.0016420100000000, 0.0022482500000000 ] - [ 0.0003453500000000, 0.0003458300000000, -0.0000768300000000 ] - [ -0.0007792900000000, 0.0005069800000000, -0.0004210000000000 ] - [ -0.0000353900000000, 0.0002837800000000, -0.0000713700000000 ] - [ -0.0002634400000000, -0.0003252100000000, -0.0003472500000000 ] - [ -0.0002496100000000, -0.0002025900000000, -0.0000462600000000 ] - [ 0.0003968900000000, -0.0003842900000000, -0.0000064100000000 ] - [ 0.0004088000000000, -0.0005347900000000, 0.0004314500000000 ] - [ 0.0019232700000000, -0.0051876700000000, -0.0000335200000000 ] - [ 0.0001540400000000, -0.0001226400000000, -0.0002500200000000 ] - [ -0.0015051300000000, -0.0018758800000000, 0.0005827000000000 ] - [ -0.0002866100000000, 0.0000231000000000, 0.0000670100000000 ] - [ -0.0029360100000000, 0.0022638100000000, -0.0036992200000000 ] - [ -0.0003917500000000, -0.0000941700000000, 0.0009314600000000 ] - [ 0.0010767900000000, -0.0010673000000000, -0.0032431500000000 ] - [ 0.0018534400000000, 0.0011365800000000, 0.0027397700000000 ] - [ 0.0005834000000000, -0.0011891600000000, 0.0002406500000000 ] - [ 0.0000657800000000, -0.0001211100000000, 0.0002738100000000 ] - [ -0.0004022300000000, -0.0014417000000000, -0.0002532600000000 ] - [ -0.0001477300000000, -0.0002604000000000, -0.0000881000000000 ] - [ -0.0066147100000000, -0.0038113200000000, 0.0069646700000000 ] - [ 0.0002073000000000, 0.0002240000000000, -0.0006988800000000 ] - [ 0.0007474100000000, -0.0016690200000000, 0.0030636700000000 ] - [ 0.0003337500000000, 0.0005376200000000, 0.0000525700000000 ] - [ 0.0005511000000000, 0.0001261600000000, -0.0004942900000000 ] - [ 0.0001244700000000, -0.0000264500000000, -0.0000576500000000 ] - [ -0.0027598000000000, -0.0025852600000000, -0.0006997700000000 ] - [ -0.0001695200000000, 0.0001086100000000, 0.0001121400000000 ] - [ -0.0004290100000000, -0.0003838400000000, 0.0003821200000000 ] - [ -0.0003607000000000, -0.0003795600000000, -0.0003010500000000 ] - [ 0.0004367400000000, -0.0003742000000000, 0.0000390600000000 ] - [ 0.0001262400000000, -0.0001400400000000, -0.0002124800000000 ]- atom: 81 displacement: [ -0.0026967483687124, 0.0000000000000000, 0.0096295144340640 ] forces: - [ -0.0000305600000000, 0.0004888900000000, -0.0000248900000000 ] - [ 0.0000583100000000, -0.0002965900000000, -0.0001389900000000 ] - [ 0.0015825700000000, -0.0004621300000000, 0.0022314100000000 ] - [ -0.0000837100000000, 0.0002554700000000, -0.0004753200000000 ] - [ 0.0111540400000000, 0.0135118200000000, 0.0175807900000000 ] - [ -0.0000948100000000, -0.0001621600000000, -0.0006452100000000 ] - [ 0.0010668600000000, -0.0024387000000000, 0.0023290100000000 ] - [ 0.0002847300000000, 0.0000816500000000, -0.0005879300000000 ] - [ -0.0000125500000000, 0.0002923400000000, 0.0003212300000000 ] - [ 0.0005287900000000, 0.0000818600000000, -0.0001210900000000 ] - [ -0.0002316700000000, -0.0002598900000000, 0.0002161600000000 ] - [ -0.0003094400000000, 0.0001977200000000, -0.0002134000000000 ] - [ -0.0429531900000000, 0.0305648100000000, 0.0438938700000000 ] - [ 0.0005358800000000, 0.0000876800000000, -0.0009416500000000 ] - [ -0.0007807600000000, -0.0001468700000000, -0.0005812600000000 ] - [ 0.0016873000000000, -0.0001284300000000, -0.0011864100000000 ] - [ -0.0001680700000000, 0.0010375600000000, 0.0013502700000000 ] - [ -0.0001061900000000, -0.0000822300000000, -0.0002630000000000 ] - [ -0.0005241100000000, 0.0008695700000000, 0.0001258400000000 ] - [ 0.0002921400000000, -0.0006060700000000, -0.0003694200000000 ] - [ -0.0002236600000000, 0.0000482500000000, 0.0002238300000000 ] - [ 0.0003726500000000, 0.0002883200000000, 0.0003211300000000 ] - [ 0.0021589200000000, -0.0018943100000000, 0.0007703400000000 ] - [ -0.0000467000000000, 0.0003234600000000, -0.0006995000000000 ] - [ -0.0008083400000000, 0.0006378500000000, 0.0007267200000000 ] - [ 0.0007190600000000, -0.0001691500000000, -0.0007393000000000 ] - [ 0.0004606900000000, -0.0003518800000000, 0.0011116000000000 ] - [ -0.0001917400000000, -0.0000220900000000, -0.0001651500000000 ] - [ 0.0130113100000000, -0.0120895600000000, 0.0253758000000000 ] - [ 0.0004280500000000, -0.0002357300000000, -0.0005102700000000 ] - [ -0.0001180300000000, 0.0002976000000000, -0.0012372600000000 ] - [ 0.0007109500000000, -0.0023408800000000, -0.0024724000000000 ] - [ -0.0179775500000000, -0.0203552800000000, 0.0187787400000000 ] - [ 0.0000746100000000, 0.0006053100000000, -0.0008659300000000 ] - [ -0.0005668500000000, -0.0014881800000000, 0.0000906200000000 ] - [ 0.0001721800000000, -0.0003335200000000, -0.0003764600000000 ] - [ 0.0003392100000000, 0.0004402500000000, 0.0002151200000000 ] - [ 0.0001744900000000, 0.0000321300000000, -0.0002048900000000 ] - [ -0.0004691400000000, -0.0001579800000000, 0.0002577800000000 ] - [ -0.0001874900000000, 0.0002230300000000, -0.0004382700000000 ] - [ 0.0004287100000000, -0.0002098300000000, 0.0002572900000000 ] - [ -0.0001530800000000, 0.0000650900000000, -0.0001612400000000 ] - [ 0.0005753000000000, -0.0001573800000000, 0.0007359900000000 ] - [ -0.0000643600000000, 0.0000287900000000, -0.0001979200000000 ] - [ 0.0000027300000000, 0.0001344100000000, 0.0003258300000000 ] - [ -0.0004208300000000, -0.0001188700000000, -0.0001582300000000 ] - [ 0.0005447400000000, -0.0005837100000000, 0.0006691500000000 ] - [ 0.0003915200000000, -0.0000369000000000, -0.0002715300000000 ] - [ 0.0014620600000000, 0.0003558300000000, -0.0001668500000000 ] - [ -0.0001434300000000, -0.0000409100000000, -0.0004122200000000 ] - [ -0.0004535700000000, -0.0001265900000000, 0.0001749300000000 ] - [ -0.0002713800000000, 0.0001473800000000, -0.0001873600000000 ] - [ 0.0000836300000000, 0.0002773200000000, 0.0004612200000000 ] - [ 0.0002106800000000, 0.0000987100000000, -0.0001619200000000 ] - [ -0.0001416300000000, 0.0001038000000000, -0.0001514500000000 ] - [ -0.0003834000000000, -0.0005278800000000, 0.0002533500000000 ] - [ -0.0003762100000000, 0.0004795200000000, 0.0010868800000000 ] - [ -0.0002880000000000, -0.0001376100000000, -0.0003593200000000 ] - [ 0.0002700400000000, -0.0001965200000000, 0.0001524200000000 ] - [ 0.0000510100000000, -0.0001189900000000, -0.0001904700000000 ] - [ 0.0000427300000000, 0.0002898400000000, -0.0001855900000000 ] - [ -0.0003838700000000, -0.0006985600000000, -0.0005239200000000 ] - [ -0.0020053800000000, 0.0022915800000000, 0.0000716900000000 ] - [ 0.0002250500000000, 0.0000626800000000, -0.0005503700000000 ] - [ 0.0003637900000000, -0.0002179000000000, 0.0000118500000000 ] - [ 0.0001011900000000, 0.0001160500000000, -0.0004003200000000 ] - [ 0.0000328000000000, -0.0004190100000000, 0.0015134600000000 ] - [ -0.0001677700000000, -0.0001999300000000, -0.0002599900000000 ] - [ 0.0007928600000000, -0.0007412000000000, 0.0006022700000000 ] - [ 0.0001625800000000, -0.0001477100000000, -0.0000787700000000 ] - [ -0.0001659400000000, -0.0001545300000000, -0.0002094300000000 ] - [ -0.0001906400000000, -0.0002178500000000, 0.0001265400000000 ] - [ -0.0000820000000000, 0.0004424200000000, 0.0003287500000000 ] - [ -0.0000099900000000, 0.0006172100000000, -0.0002320200000000 ] - [ 0.0000355600000000, -0.0004181200000000, 0.0001296600000000 ] - [ -0.0002072400000000, -0.0005463200000000, -0.0003223100000000 ] - [ 0.0000203800000000, 0.0004922500000000, 0.0003982100000000 ] - [ 0.0004689400000000, 0.0002441000000000, -0.0001696600000000 ] - [ 0.0003508400000000, 0.0002621700000000, 0.0001760400000000 ] - [ -0.0004015800000000, 0.0002818100000000, -0.0004696600000000 ] - [ 0.0456734200000000, -0.0109437100000000, -0.1126770100000000 ] - [ -0.0004427600000000, 0.0000713400000000, 0.0009058600000000 ] - [ -0.0091337700000000, 0.0049567800000000, 0.0054325600000000 ] - [ 0.0004973200000000, 0.0004156300000000, 0.0008360900000000 ] - [ 0.0013985200000000, -0.0001594000000000, -0.0013082900000000 ] - [ -0.0001153900000000, -0.0002666400000000, 0.0002501300000000 ] - [ -0.0004792300000000, 0.0002883400000000, 0.0003194000000000 ] - [ -0.0003823900000000, -0.0003414300000000, 0.0003488200000000 ] - [ 0.0032133400000000, -0.0036210100000000, -0.0081224300000000 ] - [ -0.0000609100000000, -0.0001275500000000, 0.0005481600000000 ] - [ -0.0021969600000000, 0.0061275200000000, 0.0036947500000000 ] - [ -0.0009038600000000, -0.0009015100000000, 0.0006859600000000 ] - [ -0.0006340700000000, 0.0003899600000000, -0.0007549500000000 ] - [ -0.0002070200000000, 0.0003392900000000, 0.0003944100000000 ] - [ 0.0005319200000000, 0.0001514700000000, 0.0001196600000000 ] - [ -0.0000757500000000, 0.0002903100000000, -0.0000519100000000 ] - [ -0.0002846100000000, 0.0001664900000000, -0.0007535600000000 ] - [ -0.0001119200000000, 0.0000585100000000, 0.0002769800000000 ] - [ 0.0001853000000000, 0.0004809800000000, -0.0006657200000000 ] - [ 0.0001334700000000, 0.0000946400000000, 0.0001367200000000 ] - [ -0.0000663100000000, -0.0008850300000000, -0.0007736100000000 ] - [ 0.0003728800000000, 0.0000915700000000, 0.0004045800000000 ] - [ -0.0001964600000000, -0.0001485300000000, 0.0000599200000000 ] - [ -0.0000615600000000, -0.0001175300000000, 0.0001016300000000 ] - [ -0.0005760200000000, 0.0004860500000000, -0.0018154800000000 ] - [ 0.0002878600000000, -0.0004234000000000, 0.0003369500000000 ] - [ -0.0005610100000000, -0.0001386800000000, -0.0005395800000000 ] - [ -0.0001987500000000, -0.0003473800000000, 0.0001995200000000 ] - [ -0.0005942500000000, 0.0008315600000000, -0.0006712200000000 ] - [ -0.0000686000000000, 0.0001478900000000, 0.0002914500000000 ] - [ -0.0003299400000000, 0.0007437900000000, 0.0002736000000000 ] - [ 0.0004439900000000, -0.0000659500000000, 0.0001577500000000 ] - [ -0.0032991300000000, -0.0013727300000000, -0.0029534400000000 ] - [ 0.0001476500000000, -0.0000229300000000, 0.0007946400000000 ] - [ -0.0008990900000000, 0.0000900100000000, -0.0006972700000000 ] - [ 0.0000087700000000, 0.0001333200000000, 0.0001550400000000 ] - [ -0.0006260000000000, -0.0002242700000000, -0.0004577300000000 ] - [ -0.0002023200000000, -0.0001403000000000, -0.0000131400000000 ] - [ -0.0002306200000000, 0.0002728400000000, 0.0006956700000000 ] - [ 0.0004950000000000, -0.0001563900000000, 0.0002107300000000 ] - [ 0.0022678300000000, 0.0031546200000000, -0.0039491900000000 ] - [ 0.0001023900000000, -0.0000526900000000, 0.0004602100000000 ] - [ -0.0022389500000000, -0.0020111500000000, 0.0008655900000000 ] - [ 0.0000704200000000, 0.0001193900000000, 0.0006542900000000 ] - [ 0.0021200300000000, 0.0024693000000000, -0.0034216000000000 ] - [ -0.0003972600000000, -0.0001824400000000, 0.0010512500000000 ] - [ -0.0015420700000000, 0.0012782700000000, 0.0044749400000000 ] - [ 0.0017230400000000, -0.0019690300000000, 0.0046687300000000 ] - [ -0.0000802300000000, -0.0004695100000000, -0.0005917900000000 ] - [ 0.0001612100000000, -0.0000073300000000, 0.0005519800000000 ] - [ -0.0002315900000000, 0.0003684700000000, -0.0006519000000000 ] - [ -0.0003274200000000, 0.0000760000000000, 0.0002073100000000 ] - [ -0.0047512700000000, -0.0083320300000000, 0.0004419600000000 ] - [ -0.0000075200000000, 0.0002975000000000, 0.0011519500000000 ] - [ 0.0006242100000000, -0.0007471100000000, 0.0024044000000000 ] - [ -0.0007910200000000, 0.0006578100000000, 0.0004767700000000 ] - [ 0.0003102900000000, 0.0003133400000000, -0.0010481000000000 ] - [ 0.0002929800000000, -0.0000143500000000, 0.0002310800000000 ] - [ 0.0017643400000000, 0.0015777100000000, 0.0010706700000000 ] - [ -0.0002461000000000, -0.0001740900000000, 0.0006193400000000 ] - [ -0.0000834700000000, 0.0001692300000000, -0.0000507700000000 ] - [ 0.0000977200000000, 0.0002606900000000, 0.0005909300000000 ] - [ 0.0003651700000000, -0.0002470600000000, 0.0002327400000000 ] - [ 0.0001115400000000, 0.0001219800000000, -0.0001336600000000 ]- atom: 81 displacement: [ 0.0026967483687124, 0.0000000000000000, -0.0096295144340640 ] forces: - [ 0.0000180200000000, -0.0005819000000000, 0.0000155300000000 ] - [ -0.0000353700000000, 0.0002016100000000, 0.0001647900000000 ] - [ -0.0016009500000000, 0.0005477000000000, -0.0022513600000000 ] - [ 0.0000804700000000, -0.0001756400000000, 0.0004734900000000 ] - [ -0.0116526500000000, -0.0135110100000000, -0.0176640200000000 ] - [ -0.0006569100000000, -0.0000141800000000, 0.0006162900000000 ] - [ -0.0003315300000000, 0.0022874700000000, -0.0023317800000000 ] - [ 0.0004523400000000, -0.0002401500000000, 0.0006002800000000 ] - [ 0.0007571600000000, -0.0001073000000000, -0.0002828400000000 ] - [ 0.0002059700000000, 0.0001056900000000, 0.0001667500000000 ] - [ -0.0004902100000000, 0.0004217600000000, -0.0002317500000000 ] - [ -0.0004266700000000, -0.0000354400000000, 0.0002011300000000 ] - [ 0.0450990200000000, -0.0316409300000000, -0.0450790800000000 ] - [ -0.0000968900000000, 0.0001358500000000, 0.0009119600000000 ] - [ 0.0003188000000000, 0.0003501300000000, 0.0006402300000000 ] - [ -0.0021720800000000, 0.0003380800000000, 0.0012575400000000 ] - [ -0.0002599500000000, -0.0012633000000000, -0.0013265800000000 ] - [ -0.0003337000000000, -0.0001398900000000, 0.0002958100000000 ] - [ 0.0009896300000000, -0.0010724100000000, -0.0001781300000000 ] - [ 0.0001805900000000, 0.0004053100000000, 0.0003110000000000 ] - [ -0.0001267500000000, 0.0001216900000000, 0.0001422500000000 ] - [ -0.0007164100000000, -0.0001120700000000, 0.0000527500000000 ] - [ -0.0017762600000000, 0.0020353200000000, -0.0010903300000000 ] - [ 0.0004174500000000, -0.0001704900000000, 0.0003573600000000 ] - [ 0.0011947700000000, -0.0007666800000000, -0.0010453900000000 ] - [ -0.0003659900000000, -0.0000022200000000, 0.0003757400000000 ] - [ -0.0008416500000000, 0.0002123100000000, -0.0007866000000000 ] - [ -0.0001463300000000, -0.0001605000000000, 0.0005451100000000 ] - [ -0.0128629000000000, 0.0119499200000000, -0.0252475200000000 ] - [ 0.0000573900000000, -0.0001413200000000, 0.0007605000000000 ] - [ -0.0003522200000000, -0.0006656200000000, 0.0009954400000000 ] - [ -0.0011816100000000, 0.0019589200000000, 0.0022404400000000 ] - [ 0.0173163500000000, 0.0207973400000000, -0.0184676300000000 ] - [ -0.0000616000000000, 0.0006104400000000, 0.0008557200000000 ] - [ 0.0005400200000000, 0.0002837700000000, -0.0000656900000000 ] - [ -0.0001789800000000, -0.0008791300000000, 0.0003856700000000 ] - [ 0.0001490600000000, -0.0000563700000000, 0.0000295600000000 ] - [ 0.0002887800000000, 0.0003306500000000, 0.0004353300000000 ] - [ -0.0000374300000000, 0.0005586000000000, -0.0005129900000000 ] - [ -0.0002955500000000, 0.0001536800000000, 0.0001947700000000 ] - [ -0.0004046600000000, 0.0001210000000000, -0.0002277200000000 ] - [ 0.0000993200000000, -0.0001566100000000, 0.0001055900000000 ] - [ -0.0006064700000000, 0.0002529500000000, -0.0007668200000000 ] - [ 0.0000507600000000, 0.0000633200000000, 0.0001865100000000 ] - [ -0.0007313900000000, -0.0003198500000000, -0.0003622600000000 ] - [ -0.0003043600000000, -0.0000476500000000, 0.0001407800000000 ] - [ 0.0001994400000000, 0.0004189800000000, -0.0006471600000000 ] - [ 0.0003471600000000, -0.0001445500000000, 0.0003050600000000 ] - [ -0.0007357400000000, -0.0001692700000000, 0.0002107800000000 ] - [ 0.0008810500000000, 0.0001678100000000, 0.0003999600000000 ] - [ -0.0002889000000000, 0.0002772600000000, -0.0001775100000000 ] - [ -0.0004510500000000, 0.0000560400000000, 0.0001336000000000 ] - [ 0.0003779500000000, -0.0000731900000000, -0.0005112200000000 ] - [ 0.0002623900000000, 0.0001008900000000, 0.0001034000000000 ] - [ -0.0002946500000000, 0.0001218600000000, 0.0001800800000000 ] - [ -0.0000614000000000, 0.0007481400000000, -0.0002185600000000 ] - [ -0.0000732500000000, -0.0007013300000000, -0.0010485100000000 ] - [ -0.0001900800000000, -0.0000612900000000, 0.0004227700000000 ] - [ 0.0001733600000000, -0.0000227500000000, -0.0001864400000000 ] - [ 0.0004122300000000, -0.0000870500000000, 0.0001405600000000 ] - [ -0.0004102900000000, -0.0001377300000000, 0.0005333200000000 ] - [ 0.0000217500000000, 0.0008729300000000, 0.0008976800000000 ] - [ 0.0023799300000000, -0.0021432500000000, -0.0004041400000000 ] - [ 0.0001483000000000, 0.0000859800000000, 0.0002173800000000 ] - [ -0.0000158500000000, 0.0000426800000000, -0.0003795800000000 ] - [ 0.0002702700000000, -0.0002652700000000, 0.0000627100000000 ] - [ -0.0003852700000000, 0.0002467800000000, -0.0011500800000000 ] - [ -0.0002073700000000, 0.0000523000000000, 0.0005932000000000 ] - [ -0.0003256300000000, 0.0003763300000000, -0.0003513600000000 ] - [ 0.0003021500000000, -0.0002152200000000, 0.0003157700000000 ] - [ -0.0003377700000000, -0.0002424200000000, -0.0000367600000000 ] - [ -0.0003148900000000, -0.0001828300000000, -0.0003645100000000 ] - [ 0.0000780300000000, 0.0007691000000000, -0.0003210400000000 ] - [ -0.0000101200000000, 0.0005919000000000, 0.0002505900000000 ] - [ -0.0000428400000000, -0.0007927000000000, -0.0001214700000000 ] - [ 0.0002324600000000, -0.0006596700000000, 0.0003072100000000 ] - [ 0.0004453600000000, -0.0001375100000000, -0.0001380400000000 ] - [ 0.0000167700000000, 0.0001386000000000, 0.0004088100000000 ] - [ -0.0008261400000000, 0.0001045900000000, -0.0004230400000000 ] - [ -0.0000891300000000, 0.0001068900000000, 0.0002528700000000 ] - [ -0.0469278500000000, 0.0127007900000000, 0.1135368600000000 ] - [ 0.0001192300000000, 0.0001156400000000, -0.0007692700000000 ] - [ 0.0094034600000000, -0.0047988400000000, -0.0055375000000000 ] - [ -0.0001805400000000, -0.0002296800000000, -0.0009665800000000 ] - [ -0.0010760200000000, -0.0000284700000000, 0.0011811400000000 ] - [ 0.0004322500000000, 0.0000776700000000, -0.0003885100000000 ] - [ 0.0001596500000000, -0.0004805900000000, -0.0001840000000000 ] - [ 0.0000584800000000, 0.0001555100000000, -0.0002254400000000 ] - [ -0.0028921500000000, 0.0030687900000000, 0.0080442000000000 ] - [ 0.0003722300000000, -0.0004420600000000, -0.0006406600000000 ] - [ 0.0018986000000000, -0.0066545600000000, -0.0035878600000000 ] - [ 0.0005874200000000, 0.0003364200000000, -0.0005800200000000 ] - [ 0.0003213600000000, 0.0001738800000000, 0.0008451800000000 ] - [ -0.0001080400000000, 0.0002210900000000, -0.0002988700000000 ] - [ -0.0002061800000000, 0.0004107200000000, -0.0002196700000000 ] - [ 0.0003929900000000, 0.0002742700000000, -0.0000486100000000 ] - [ -0.0000283800000000, 0.0000237300000000, 0.0008895700000000 ] - [ -0.0002089800000000, 0.0001296200000000, -0.0001413500000000 ] - [ 0.0001407400000000, -0.0002921200000000, 0.0005382600000000 ] - [ 0.0001940600000000, 0.0000909100000000, -0.0002683000000000 ] - [ 0.0003857100000000, 0.0006988300000000, 0.0006315900000000 ] - [ -0.0000377600000000, -0.0002781400000000, -0.0005335500000000 ] - [ -0.0001307300000000, -0.0000341600000000, 0.0000649600000000 ] - [ -0.0002558300000000, -0.0000660500000000, 0.0000427000000000 ] - [ 0.0008975700000000, -0.0010469300000000, 0.0017151400000000 ] - [ 0.0000394300000000, -0.0001403300000000, -0.0004355800000000 ] - [ 0.0002476300000000, -0.0004267500000000, 0.0006359400000000 ] - [ -0.0001152900000000, -0.0002186000000000, -0.0001086800000000 ] - [ 0.0002823200000000, -0.0002696700000000, 0.0007669100000000 ] - [ -0.0002486800000000, 0.0004231700000000, -0.0001811100000000 ] - [ 0.0006475900000000, -0.0001775900000000, -0.0003782300000000 ] - [ -0.0001320600000000, 0.0006287500000000, -0.0002454500000000 ] - [ 0.0036592900000000, 0.0014792000000000, 0.0033010900000000 ] - [ 0.0002065000000000, 0.0001318200000000, -0.0004357700000000 ] - [ 0.0005505200000000, 0.0000305500000000, 0.0003620300000000 ] - [ -0.0003606200000000, -0.0000171800000000, -0.0005037900000000 ] - [ 0.0002689600000000, 0.0001106400000000, 0.0001118700000000 ] - [ -0.0001444100000000, 0.0000217900000000, -0.0003276200000000 ] - [ 0.0005767400000000, -0.0003895500000000, -0.0003466900000000 ] - [ -0.0001361800000000, 0.0000467400000000, 0.0001434500000000 ] - [ -0.0019933900000000, -0.0032274000000000, 0.0035999500000000 ] - [ 0.0001785700000000, -0.0000177500000000, -0.0008018900000000 ] - [ 0.0019641700000000, 0.0019470300000000, -0.0005020400000000 ] - [ -0.0003700200000000, -0.0001883900000000, -0.0003002500000000 ] - [ -0.0024035800000000, -0.0023909200000000, 0.0037800800000000 ] - [ 0.0001144500000000, 0.0002467700000000, -0.0007050400000000 ] - [ 0.0018412600000000, -0.0012116400000000, -0.0048393900000000 ] - [ -0.0014305200000000, 0.0020256700000000, -0.0050006000000000 ] - [ 0.0004362200000000, 0.0005862000000000, 0.0009420400000000 ] - [ 0.0001863000000000, 0.0001297300000000, -0.0002018200000000 ] - [ -0.0001198700000000, -0.0002500900000000, 0.0003039900000000 ] - [ -0.0000302100000000, 0.0000328900000000, -0.0005492500000000 ] - [ 0.0044295000000000, 0.0082938700000000, -0.0008060400000000 ] - [ -0.0003457400000000, -0.0004113400000000, -0.0015013200000000 ] - [ -0.0002766100000000, 0.0006326500000000, -0.0020508600000000 ] - [ 0.0011374000000000, -0.0007697000000000, -0.0001345000000000 ] - [ -0.0000185000000000, -0.0003812500000000, 0.0006963700000000 ] - [ -0.0000079200000000, -0.0000590300000000, -0.0005813400000000 ] - [ -0.0020549900000000, -0.0016492800000000, -0.0007102000000000 ] - [ -0.0000341700000000, 0.0000975900000000, -0.0002678500000000 ] - [ -0.0002093500000000, -0.0000938300000000, 0.0004109600000000 ] - [ -0.0003849100000000, -0.0001893100000000, -0.0002339900000000 ] - [ -0.0000867400000000, 0.0003149400000000, -0.0005873600000000 ] - [ 0.0001690000000000, -0.0000525400000000, -0.0002135900000000 ]- atom: 89 displacement: [ 0.0099999386121055, 0.0000000000000000, -0.0000350393225009 ] forces: - [ 0.0012427700000000, -0.0010299500000000, 0.0012169500000000 ] - [ 0.0004570000000000, -0.0001062800000000, -0.0002300600000000 ] - [ 0.0183999500000000, 0.0178368900000000, 0.0174888400000000 ] - [ 0.0002252600000000, -0.0000761700000000, 0.0003062300000000 ] - [ -0.0028369300000000, 0.0008292700000000, -0.0015078900000000 ] - [ -0.0005501400000000, -0.0000430100000000, 0.0002002100000000 ] - [ 0.0363741200000000, 0.0190672800000000, -0.0162696000000000 ] - [ 0.0006224800000000, -0.0003672100000000, 0.0001503900000000 ] - [ 0.0015292300000000, 0.0010451900000000, 0.0001719900000000 ] - [ 0.0007551300000000, 0.0002947400000000, 0.0002200600000000 ] - [ -0.0004723100000000, -0.0001201600000000, 0.0002273300000000 ] - [ -0.0001476000000000, -0.0001210900000000, -0.0002453400000000 ] - [ -0.0014776700000000, 0.0015030000000000, 0.0001233300000000 ] - [ 0.0002596000000000, 0.0001721600000000, -0.0000282100000000 ] - [ 0.0001636600000000, 0.0005329900000000, 0.0011663900000000 ] - [ 0.0000157900000000, -0.0031366200000000, 0.0034650000000000 ] - [ 0.0001870600000000, 0.0003692500000000, -0.0001285300000000 ] - [ -0.0001370500000000, -0.0001456000000000, 0.0001905400000000 ] - [ 0.0003020100000000, -0.0003025500000000, -0.0001562300000000 ] - [ 0.0001271300000000, -0.0001174200000000, 0.0001142600000000 ] - [ 0.0000587800000000, 0.0002098600000000, 0.0002147700000000 ] - [ -0.0004587700000000, -0.0002395800000000, 0.0001471600000000 ] - [ -0.0003291700000000, 0.0004011800000000, -0.0002552400000000 ] - [ 0.0000871900000000, 0.0000981200000000, -0.0003210500000000 ] - [ -0.0001180500000000, 0.0000777400000000, -0.0004459100000000 ] - [ -0.0001154200000000, -0.0001215300000000, -0.0002493100000000 ] - [ -0.0001685600000000, -0.0008934900000000, -0.0004035800000000 ] - [ -0.0002687300000000, -0.0001757000000000, 0.0003464300000000 ] - [ 0.0232448900000000, -0.0195891000000000, -0.0176417500000000 ] - [ 0.0005513900000000, -0.0002705700000000, 0.0004332600000000 ] - [ -0.0002844100000000, -0.0004152100000000, 0.0007018900000000 ] - [ 0.0024416800000000, 0.0019762000000000, 0.0000689600000000 ] - [ 0.0031944500000000, 0.0010680100000000, -0.0022919200000000 ] - [ -0.0000322400000000, 0.0006795600000000, 0.0004046900000000 ] - [ 0.0002735200000000, -0.0004367400000000, 0.0002003300000000 ] - [ 0.0003332600000000, -0.0009121400000000, -0.0001477700000000 ] - [ 0.0009157800000000, -0.0003549100000000, 0.0000352300000000 ] - [ 0.0005202700000000, 0.0000636700000000, 0.0004089300000000 ] - [ 0.0002996600000000, -0.0004386000000000, 0.0004325500000000 ] - [ -0.0000690600000000, 0.0000081900000000, -0.0001220400000000 ] - [ -0.0004294600000000, -0.0002517400000000, -0.0002785000000000 ] - [ -0.0002345500000000, -0.0000711700000000, -0.0001417300000000 ] - [ -0.0003852100000000, -0.0000178900000000, -0.0002033400000000 ] - [ -0.0000841900000000, 0.0000655900000000, -0.0001155900000000 ] - [ -0.0005912700000000, 0.0000490400000000, 0.0001484200000000 ] - [ -0.0003388600000000, -0.0000141600000000, -0.0000569900000000 ] - [ -0.0000212100000000, -0.0001450500000000, 0.0000644100000000 ] - [ 0.0002275000000000, -0.0000304500000000, -0.0000743400000000 ] - [ -0.0002138700000000, 0.0000419600000000, 0.0000508700000000 ] - [ 0.0000947700000000, 0.0001064300000000, -0.0002067400000000 ] - [ -0.0006780900000000, -0.0005425300000000, -0.0004833400000000 ] - [ -0.0007256900000000, -0.0000112400000000, 0.0001724400000000 ] - [ -0.0002087300000000, 0.0009708100000000, 0.0004154200000000 ] - [ 0.0001549400000000, 0.0001763500000000, -0.0000289400000000 ] - [ -0.0004973600000000, 0.0000970700000000, 0.0000706500000000 ] - [ -0.0009305000000000, -0.0000740800000000, -0.0000086900000000 ] - [ -0.0013273300000000, -0.0000132500000000, 0.0002794200000000 ] - [ -0.0004255100000000, -0.0000480400000000, -0.0002233700000000 ] - [ -0.0007635600000000, -0.0001412100000000, 0.0008390200000000 ] - [ 0.0001575800000000, -0.0005583600000000, -0.0009381800000000 ] - [ -0.0004987300000000, -0.0001268900000000, 0.0005829100000000 ] - [ -0.0015209200000000, 0.0000085400000000, -0.0016747700000000 ] - [ 0.0269220800000000, -0.0188634800000000, 0.0237436600000000 ] - [ 0.0001969500000000, 0.0001867800000000, 0.0003454300000000 ] - [ 0.0013961300000000, 0.0009960100000000, 0.0011613900000000 ] - [ 0.0009545000000000, -0.0000608200000000, -0.0005703400000000 ] - [ -0.0010075500000000, -0.0006955600000000, 0.0006947400000000 ] - [ -0.0001833400000000, -0.0000701000000000, 0.0000244900000000 ] - [ -0.0002867200000000, 0.0001039200000000, 0.0001105500000000 ] - [ 0.0001113900000000, -0.0001585700000000, -0.0000028400000000 ] - [ -0.0004381100000000, 0.0000656700000000, -0.0002751600000000 ] - [ -0.0005908500000000, -0.0003389400000000, -0.0001333400000000 ] - [ -0.0005980500000000, 0.0006961400000000, 0.0002646100000000 ] - [ -0.0002481500000000, 0.0006928200000000, -0.0004574800000000 ] - [ -0.0007373200000000, -0.0007768700000000, -0.0002541800000000 ] - [ -0.0004824000000000, -0.0005781300000000, 0.0000291000000000 ] - [ -0.0003279100000000, 0.0001119900000000, -0.0000122600000000 ] - [ -0.0001447300000000, 0.0000070800000000, -0.0001465300000000 ] - [ -0.0010601600000000, -0.0000019400000000, -0.0003609700000000 ] - [ -0.0004388500000000, 0.0001990600000000, -0.0002419400000000 ] - [ 0.0048834900000000, -0.0066917600000000, 0.0046658500000000 ] - [ -0.0003391900000000, 0.0002326200000000, -0.0002098600000000 ] - [ -0.0102405300000000, 0.0052607900000000, -0.0051202200000000 ] - [ 0.0000618100000000, 0.0001960700000000, -0.0008730800000000 ] - [ -0.0008915800000000, -0.0002591200000000, -0.0008524800000000 ] - [ -0.0001132000000000, -0.0000996900000000, -0.0001932400000000 ] - [ -0.0002413500000000, -0.0000017200000000, -0.0001968200000000 ] - [ -0.0003432000000000, 0.0001376200000000, 0.0004068700000000 ] - [ -0.1099124700000000, 0.0065948200000000, -0.0095209200000000 ] - [ -0.0000494400000000, -0.0002566300000000, -0.0003935000000000 ] - [ 0.0047145500000000, -0.0046948600000000, 0.0075839400000000 ] - [ 0.0001283900000000, 0.0001674300000000, -0.0003552900000000 ] - [ 0.0000772100000000, 0.0009956200000000, -0.0006095000000000 ] - [ -0.0001487700000000, 0.0004117100000000, 0.0002876300000000 ] - [ -0.0016515300000000, 0.0005163000000000, -0.0002531300000000 ] - [ -0.0016465000000000, 0.0001602200000000, -0.0002686600000000 ] - [ 0.0006430300000000, -0.0002801700000000, -0.0004606400000000 ] - [ -0.0001372400000000, -0.0000530900000000, 0.0002114400000000 ] - [ 0.0008420300000000, 0.0001300800000000, -0.0002882700000000 ] - [ 0.0005107900000000, 0.0001031300000000, -0.0000078600000000 ] - [ 0.0012378600000000, -0.0002774800000000, -0.0002147500000000 ] - [ 0.0005642000000000, -0.0000235500000000, 0.0001413400000000 ] - [ 0.0007352400000000, 0.0000100100000000, 0.0006187300000000 ] - [ 0.0006727300000000, 0.0003438000000000, -0.0002059800000000 ] - [ 0.0006867800000000, -0.0003418100000000, 0.0000119000000000 ] - [ 0.0002788400000000, -0.0003092400000000, 0.0000785700000000 ] - [ 0.0002566600000000, -0.0002194900000000, 0.0001240700000000 ] - [ -0.0002734900000000, -0.0004822300000000, 0.0001027300000000 ] - [ 0.0005614200000000, 0.0007422000000000, 0.0000771100000000 ] - [ 0.0000709300000000, 0.0005124200000000, -0.0000127900000000 ] - [ 0.0006201700000000, 0.0002235300000000, 0.0000095100000000 ] - [ 0.0006208700000000, 0.0003103600000000, 0.0000944400000000 ] - [ 0.0013731700000000, -0.0000722700000000, 0.0001849800000000 ] - [ 0.0003017200000000, 0.0000406900000000, 0.0003851700000000 ] - [ 0.0014736700000000, 0.0008604100000000, -0.0005591500000000 ] - [ -0.0006619500000000, 0.0003881500000000, 0.0000433300000000 ] - [ -0.0002983000000000, -0.0001799100000000, -0.0000376500000000 ] - [ -0.0000832300000000, -0.0000222700000000, -0.0002357500000000 ] - [ 0.0004996000000000, -0.0000268700000000, 0.0001969000000000 ] - [ 0.0003914700000000, -0.0000131300000000, 0.0003348900000000 ] - [ 0.0001160600000000, -0.0003769900000000, 0.0000646400000000 ] - [ 0.0002059600000000, -0.0000229600000000, -0.0001779600000000 ] - [ -0.0007866800000000, 0.0007674100000000, 0.0005161900000000 ] - [ -0.0003380900000000, -0.0003533800000000, 0.0000468600000000 ] - [ -0.0032992700000000, -0.0015388100000000, 0.0013302500000000 ] - [ 0.0000858200000000, 0.0002073100000000, -0.0006980600000000 ] - [ 0.0006838200000000, -0.0002571500000000, -0.0007523900000000 ] - [ -0.0000647000000000, -0.0001440500000000, 0.0001720500000000 ] - [ -0.0036265900000000, -0.0018800100000000, -0.0031992400000000 ] - [ -0.0000942000000000, -0.0000554100000000, 0.0001575600000000 ] - [ 0.0020505500000000, 0.0023622800000000, 0.0006585100000000 ] - [ -0.0000917000000000, 0.0001377300000000, -0.0003054900000000 ] - [ 0.0036007600000000, 0.0006817200000000, -0.0019139600000000 ] - [ -0.0004304600000000, -0.0003788200000000, 0.0002808400000000 ] - [ -0.0039175400000000, 0.0032175300000000, -0.0008782800000000 ] - [ -0.0002540200000000, -0.0015336700000000, -0.0024534700000000 ] - [ 0.0074555900000000, -0.0015471900000000, -0.0008848500000000 ] - [ 0.0000974200000000, -0.0000061300000000, 0.0001196500000000 ] - [ 0.0012394300000000, 0.0002878400000000, 0.0003615200000000 ] - [ 0.0002596000000000, -0.0001135800000000, 0.0003872000000000 ] - [ 0.0005647400000000, 0.0001821700000000, -0.0000141000000000 ] - [ 0.0002098400000000, 0.0003484400000000, 0.0007668400000000 ] - [ 0.0017848700000000, -0.0015883100000000, 0.0020341900000000 ] - [ 0.0004615200000000, -0.0002331200000000, -0.0004076600000000 ]- atom: 89 displacement: [ -0.0099999386121055, 0.0000000000000000, 0.0000350393225009 ] forces: - [ -0.0012434800000000, 0.0009406400000000, -0.0012077200000000 ] - [ -0.0004526700000000, 0.0000248900000000, 0.0002361000000000 ] - [ -0.0181981800000000, -0.0172457100000000, -0.0169764900000000 ] - [ -0.0002234600000000, 0.0001579900000000, -0.0003009700000000 ] - [ 0.0020822100000000, -0.0010134600000000, 0.0014670900000000 ] - [ -0.0002040000000000, -0.0001433900000000, -0.0002342400000000 ] - [ -0.0363004200000000, -0.0200371500000000, 0.0170121100000000 ] - [ 0.0001193800000000, 0.0001833400000000, -0.0001147500000000 ] - [ -0.0007805800000000, -0.0008587900000000, -0.0001297400000000 ] - [ -0.0000108400000000, -0.0001093100000000, -0.0001831200000000 ] - [ -0.0002786900000000, 0.0002982200000000, -0.0002574600000000 ] - [ -0.0006050900000000, 0.0003060900000000, 0.0002122200000000 ] - [ 0.0019253000000000, -0.0013006600000000, -0.0001536700000000 ] - [ 0.0001666900000000, 0.0000427200000000, -0.0000033100000000 ] - [ -0.0005968500000000, -0.0003188900000000, -0.0011241500000000 ] - [ -0.0004352500000000, 0.0033527700000000, -0.0034316700000000 ] - [ -0.0006089500000000, -0.0005880100000000, 0.0001594000000000 ] - [ -0.0002880700000000, -0.0000726900000000, -0.0001541400000000 ] - [ 0.0001255300000000, 0.0000865800000000, 0.0001221100000000 ] - [ 0.0003033400000000, -0.0000980600000000, -0.0001508600000000 ] - [ -0.0004167700000000, -0.0000560500000000, 0.0001319300000000 ] - [ 0.0001011800000000, 0.0003938300000000, 0.0002019900000000 ] - [ 0.0006915600000000, -0.0002482600000000, -0.0000900400000000 ] - [ 0.0002727800000000, 0.0000591000000000, -0.0000288500000000 ] - [ 0.0004762800000000, -0.0002356200000000, 0.0000985500000000 ] - [ 0.0004776500000000, -0.0000331200000000, -0.0000961200000000 ] - [ -0.0001883400000000, 0.0007412300000000, 0.0007476100000000 ] - [ -0.0000921200000000, 0.0000228400000000, 0.0000002300000000 ] - [ -0.0224263100000000, 0.0185155300000000, 0.0173932100000000 ] - [ -0.0000557500000000, -0.0001306000000000, -0.0001805200000000 ] - [ -0.0002009600000000, 0.0000272400000000, -0.0009597200000000 ] - [ -0.0029438700000000, -0.0023757900000000, -0.0003258300000000 ] - [ -0.0031982900000000, 0.0001606700000000, 0.0022878100000000 ] - [ 0.0000399500000000, 0.0005456100000000, -0.0004077900000000 ] - [ -0.0002755600000000, -0.0007860900000000, -0.0001969600000000 ] - [ -0.0003262000000000, -0.0003126400000000, 0.0001444200000000 ] - [ -0.0004243100000000, 0.0007527200000000, 0.0002207300000000 ] - [ -0.0000314800000000, 0.0003273000000000, -0.0001578900000000 ] - [ -0.0007964700000000, 0.0008328200000000, -0.0006943200000000 ] - [ -0.0004240900000000, 0.0003845700000000, -0.0001328100000000 ] - [ 0.0004412100000000, 0.0001775600000000, 0.0002867300000000 ] - [ 0.0002440000000000, -0.0000108400000000, 0.0001508700000000 ] - [ 0.0003813600000000, 0.0000940300000000, 0.0002001100000000 ] - [ 0.0000827000000000, 0.0000128900000000, 0.0001156700000000 ] - [ -0.0001588200000000, -0.0002423200000000, -0.0001902500000000 ] - [ -0.0004131200000000, -0.0001734300000000, 0.0000224300000000 ] - [ 0.0007727100000000, -0.0000316300000000, -0.0000364400000000 ] - [ 0.0005225100000000, -0.0001561100000000, 0.0001109300000000 ] - [ 0.0009645000000000, 0.0001476900000000, -0.0000095700000000 ] - [ 0.0006535200000000, 0.0000864400000000, 0.0002505600000000 ] - [ -0.0000718200000000, 0.0007261300000000, 0.0004570700000000 ] - [ -0.0000271500000000, 0.0001937000000000, -0.0002020600000000 ] - [ 0.0006319400000000, -0.0007518700000000, -0.0004390500000000 ] - [ 0.0002698700000000, 0.0000412800000000, -0.0000027700000000 ] - [ 0.0000707500000000, 0.0001226800000000, -0.0000374400000000 ] - [ 0.0005019500000000, 0.0002887800000000, 0.0000484700000000 ] - [ 0.0009049100000000, -0.0002057600000000, -0.0002484300000000 ] - [ 0.0000067500000000, -0.0001740100000000, 0.0002572100000000 ] - [ 0.0011886600000000, -0.0000741500000000, -0.0008709500000000 ] - [ 0.0002725300000000, 0.0003366300000000, 0.0009057500000000 ] - [ 0.0001384700000000, 0.0002797600000000, -0.0002336600000000 ] - [ 0.0011753700000000, 0.0001432700000000, 0.0020342800000000 ] - [ -0.0268092600000000, 0.0195760700000000, -0.0247933500000000 ] - [ 0.0001659300000000, -0.0000317900000000, -0.0006904200000000 ] - [ -0.0010353300000000, -0.0011579500000000, -0.0015183800000000 ] - [ -0.0005907800000000, -0.0000987300000000, 0.0002259900000000 ] - [ 0.0006459300000000, 0.0005372600000000, -0.0003491600000000 ] - [ -0.0001734600000000, -0.0000836500000000, 0.0003258900000000 ] - [ 0.0007811200000000, -0.0005011600000000, 0.0001561900000000 ] - [ 0.0003801300000000, -0.0002386200000000, 0.0002635900000000 ] - [ -0.0000567000000000, -0.0004607000000000, 0.0000210700000000 ] - [ 0.0001002200000000, -0.0000550500000000, -0.0001135200000000 ] - [ 0.0006113900000000, 0.0005293400000000, -0.0002740300000000 ] - [ 0.0002525300000000, 0.0005327700000000, 0.0004535500000000 ] - [ 0.0007390600000000, -0.0004503700000000, 0.0002576300000000 ] - [ 0.0004843600000000, -0.0006483600000000, -0.0000263700000000 ] - [ 0.0008226300000000, 0.0002891300000000, 0.0002641500000000 ] - [ 0.0006399000000000, 0.0003902200000000, 0.0004044900000000 ] - [ 0.0005681100000000, 0.0003975400000000, 0.0000987500000000 ] - [ -0.0000541600000000, 0.0001959200000000, -0.0000170200000000 ] - [ -0.0051832900000000, 0.0068544100000000, -0.0045614700000000 ] - [ 0.0000256300000000, -0.0000406800000000, 0.0003390500000000 ] - [ 0.0105774900000000, -0.0050748100000000, 0.0049979200000000 ] - [ 0.0002512200000000, -0.0000041800000000, 0.0007456900000000 ] - [ 0.0012077000000000, 0.0000694200000000, 0.0007212600000000 ] - [ 0.0004275500000000, -0.0000904200000000, 0.0000669900000000 ] - [ -0.0000712800000000, -0.0001875600000000, 0.0003270200000000 ] - [ 0.0000348900000000, -0.0003283400000000, -0.0002757300000000 ] - [ 0.1105366400000000, -0.0066771400000000, 0.0092346400000000 ] - [ 0.0003615800000000, -0.0002967000000000, 0.0003003400000000 ] - [ -0.0049958600000000, 0.0041701500000000, -0.0074423900000000 ] - [ -0.0004267600000000, -0.0007197300000000, 0.0004615800000000 ] - [ -0.0003675000000000, -0.0004378700000000, 0.0007192800000000 ] - [ -0.0001583300000000, 0.0001429100000000, -0.0001883100000000 ] - [ 0.0019565000000000, 0.0000395600000000, 0.0001491800000000 ] - [ 0.0019498000000000, 0.0003882000000000, 0.0001677800000000 ] - [ -0.0009605100000000, 0.0004697900000000, 0.0005953100000000 ] - [ -0.0001772400000000, 0.0002434400000000, -0.0000789900000000 ] - [ -0.0005311200000000, 0.0000606600000000, 0.0001630600000000 ] - [ -0.0001959200000000, 0.0000858400000000, -0.0001198300000000 ] - [ -0.0009232100000000, 0.0000841900000000, 0.0000837400000000 ] - [ -0.0002514300000000, -0.0001655800000000, -0.0002720100000000 ] - [ -0.0010517700000000, -0.0001971400000000, -0.0004895400000000 ] - [ -0.0009863800000000, -0.0005322300000000, 0.0003364600000000 ] - [ -0.0003908600000000, -0.0002075600000000, -0.0001154700000000 ] - [ 0.0000276100000000, -0.0002450000000000, -0.0001772600000000 ] - [ -0.0005664300000000, -0.0003331100000000, -0.0000239800000000 ] - [ -0.0000296800000000, -0.0000713100000000, 0.0000009100000000 ] - [ -0.0008752500000000, -0.0001873900000000, 0.0000234500000000 ] - [ -0.0003788900000000, 0.0000413200000000, 0.0001117300000000 ] - [ -0.0003225000000000, 0.0003238700000000, -0.0001153400000000 ] - [ -0.0003232900000000, 0.0002411000000000, -0.0001987900000000 ] - [ -0.0010103600000000, 0.0001762900000000, 0.0001663400000000 ] - [ 0.0000618900000000, 0.0000699300000000, -0.0000359200000000 ] - [ -0.0018283800000000, -0.0007302300000000, 0.0002038800000000 ] - [ 0.0002963900000000, -0.0002734700000000, -0.0003949700000000 ] - [ -0.0000669600000000, 0.0000633000000000, -0.0003153500000000 ] - [ -0.0002847600000000, -0.0000929700000000, -0.0001145300000000 ] - [ -0.0001388600000000, -0.0000810500000000, 0.0001530600000000 ] - [ -0.0000289100000000, -0.0000985700000000, 0.0000152600000000 ] - [ 0.0002005000000000, 0.0003026200000000, -0.0004217300000000 ] - [ 0.0001062400000000, -0.0000528700000000, -0.0001754000000000 ] - [ 0.0004823100000000, -0.0008454600000000, -0.0001579000000000 ] - [ 0.0000309100000000, 0.0002764200000000, 0.0003099500000000 ] - [ 0.0029969600000000, 0.0016176400000000, -0.0009709400000000 ] - [ -0.0003942200000000, -0.0001321400000000, 0.0010551600000000 ] - [ -0.0003720200000000, 0.0003372500000000, 0.0003967100000000 ] - [ 0.0003776100000000, 0.0002164600000000, -0.0005245400000000 ] - [ 0.0039991700000000, 0.0019809800000000, 0.0035492900000000 ] - [ 0.0004606700000000, 0.0001707200000000, 0.0001975500000000 ] - [ -0.0024165800000000, -0.0022563200000000, -0.0010014200000000 ] - [ -0.0002744500000000, -0.0000288400000000, -0.0000475700000000 ] - [ -0.0039559400000000, -0.0008032500000000, 0.0015494500000000 ] - [ 0.0000633500000000, 0.0002650800000000, -0.0006305300000000 ] - [ 0.0042755200000000, -0.0033326300000000, 0.0012414700000000 ] - [ 0.0006118700000000, 0.0014150700000000, 0.0027971900000000 ] - [ -0.0072309600000000, 0.0014788100000000, 0.0005367700000000 ] - [ 0.0002099000000000, -0.0000699900000000, -0.0004740500000000 ] - [ -0.0015476100000000, -0.0003634300000000, 0.0000034300000000 ] - [ -0.0005709300000000, 0.0000353200000000, -0.0000342200000000 ] - [ -0.0008731800000000, -0.0001039800000000, 0.0003729100000000 ] - [ -0.0005141900000000, -0.0002727000000000, -0.0004065900000000 ] - [ -0.0014779200000000, 0.0016593300000000, -0.0023852800000000 ] - [ -0.0001553900000000, 0.0003096100000000, 0.0000553800000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007525700000000, -0.0001934200000000, 0.0005563400000000 ] - [ 0.0000718900000000, -0.0000404900000000, -0.0004823500000000 ] - [ 0.0169130300000000, 0.0341603000000000, 0.0193430500000000 ] - [ -0.0000587400000000, 0.0004779600000000, -0.0000899400000000 ] - [ 0.0003019800000000, 0.0029784800000000, 0.0022690100000000 ] - [ 0.0000415200000000, 0.0000493900000000, -0.0002575300000000 ] - [ 0.0194943000000000, 0.0221671000000000, -0.0140802600000000 ] - [ 0.0001266000000000, 0.0002320200000000, 0.0000019500000000 ] - [ 0.0000181400000000, -0.0006427100000000, 0.0001835700000000 ] - [ 0.0004570300000000, -0.0001872200000000, -0.0002264400000000 ] - [ -0.0005665300000000, -0.0002580200000000, 0.0002140800000000 ] - [ -0.0003285500000000, -0.0001979600000000, -0.0001845100000000 ] - [ 0.0025107800000000, -0.0014780400000000, 0.0001158700000000 ] - [ 0.0003023600000000, 0.0001038800000000, -0.0000139200000000 ] - [ -0.0002975000000000, -0.0001799700000000, -0.0009912700000000 ] - [ -0.0003678800000000, -0.0015416800000000, 0.0017666800000000 ] - [ -0.0001886700000000, -0.0015064800000000, -0.0000326000000000 ] - [ -0.0001706800000000, -0.0004007300000000, -0.0000362700000000 ] - [ 0.0002627400000000, -0.0009303700000000, 0.0001594800000000 ] - [ 0.0001608500000000, -0.0004031200000000, 0.0000270600000000 ] - [ -0.0004048200000000, -0.0003088300000000, -0.0001123800000000 ] - [ -0.0004026400000000, -0.0004402400000000, 0.0000929100000000 ] - [ 0.0005816600000000, -0.0004717900000000, -0.0000528200000000 ] - [ 0.0002371600000000, -0.0000811700000000, -0.0000932800000000 ] - [ 0.0002947200000000, -0.0000928800000000, 0.0000440600000000 ] - [ 0.0002638600000000, -0.0001645500000000, -0.0002881800000000 ] - [ -0.0007880500000000, -0.0007351400000000, -0.0001749100000000 ] - [ -0.0003164400000000, -0.0001650300000000, 0.0001687100000000 ] - [ -0.0195395700000000, 0.0276706800000000, 0.0205664700000000 ] - [ 0.0003397100000000, -0.0000911100000000, 0.0002844300000000 ] - [ 0.0000828400000000, 0.0003698800000000, -0.0011079600000000 ] - [ 0.0017373600000000, 0.0027190600000000, 0.0007802400000000 ] - [ 0.0011980200000000, -0.0015945800000000, 0.0018034200000000 ] - [ 0.0001307900000000, 0.0004804100000000, -0.0002080600000000 ] - [ -0.0000937200000000, -0.0011972700000000, 0.0000575400000000 ] - [ 0.0000922100000000, -0.0010853000000000, -0.0000908200000000 ] - [ 0.0001621300000000, -0.0006334100000000, -0.0004969600000000 ] - [ 0.0001119500000000, -0.0001566600000000, 0.0002747200000000 ] - [ -0.0004785400000000, -0.0007030700000000, 0.0001961400000000 ] - [ -0.0002136300000000, -0.0000021700000000, -0.0002053400000000 ] - [ -0.0001412700000000, -0.0001538100000000, -0.0001940000000000 ] - [ -0.0000431100000000, -0.0000752900000000, 0.0000646600000000 ] - [ -0.0000831600000000, -0.0003675300000000, -0.0000480500000000 ] - [ -0.0000424600000000, -0.0001381100000000, -0.0000246900000000 ] - [ -0.0003107400000000, -0.0006481000000000, -0.0003389100000000 ] - [ -0.0004313600000000, -0.0002952500000000, -0.0000109700000000 ] - [ 0.0003648000000000, -0.0004128600000000, 0.0001348400000000 ] - [ 0.0004295900000000, -0.0002334600000000, 0.0000414500000000 ] - [ 0.0005760400000000, 0.0002521700000000, -0.0001271100000000 ] - [ 0.0003988200000000, 0.0003222200000000, 0.0002188500000000 ] - [ -0.0011161800000000, 0.0010276800000000, -0.0008782200000000 ] - [ -0.0006257500000000, 0.0001267000000000, 0.0001645600000000 ] - [ 0.0012968600000000, -0.0003457700000000, -0.0005387900000000 ] - [ 0.0002111300000000, 0.0000478200000000, 0.0000083600000000 ] - [ -0.0001535300000000, 0.0000772500000000, 0.0000619700000000 ] - [ -0.0006553900000000, -0.0000184900000000, 0.0000653700000000 ] - [ 0.0001559000000000, 0.0002472100000000, 0.0001967700000000 ] - [ -0.0003214200000000, 0.0001804000000000, -0.0001843800000000 ] - [ -0.0006700800000000, 0.0005589400000000, 0.0002596200000000 ] - [ 0.0004823700000000, 0.0008953800000000, 0.0010926200000000 ] - [ -0.0000056800000000, 0.0005106100000000, 0.0000554700000000 ] - [ -0.0028374300000000, 0.0006770000000000, -0.0027471500000000 ] - [ -0.0186889000000000, 0.0247799200000000, -0.0238806500000000 ] - [ -0.0001088600000000, 0.0004562800000000, 0.0001200400000000 ] - [ 0.0012241500000000, 0.0001896500000000, -0.0015494500000000 ] - [ -0.0001090500000000, 0.0001120800000000, 0.0004565700000000 ] - [ -0.0012752200000000, 0.0001008300000000, 0.0008982700000000 ] - [ -0.0001664900000000, 0.0000146900000000, -0.0000380400000000 ] - [ 0.0005845000000000, -0.0006850800000000, 0.0001224900000000 ] - [ 0.0002235400000000, -0.0003767200000000, 0.0001633800000000 ] - [ -0.0001689100000000, -0.0006242300000000, -0.0001234300000000 ] - [ -0.0003814000000000, -0.0004834900000000, -0.0001747700000000 ] - [ 0.0001443700000000, 0.0005098900000000, -0.0001460500000000 ] - [ 0.0000895600000000, 0.0004862400000000, 0.0002132100000000 ] - [ 0.0005069900000000, 0.0000399600000000, -0.0002236800000000 ] - [ -0.0003607600000000, -0.0004427100000000, 0.0002465900000000 ] - [ 0.0000670700000000, 0.0002792500000000, 0.0002478600000000 ] - [ 0.0002117400000000, 0.0004666200000000, -0.0001250800000000 ] - [ -0.0006257600000000, 0.0006334200000000, -0.0005424500000000 ] - [ -0.0003557600000000, 0.0003381400000000, -0.0000118500000000 ] - [ -0.0075226700000000, 0.0049565700000000, -0.0054823000000000 ] - [ -0.0003382600000000, 0.0000604200000000, 0.0001819100000000 ] - [ -0.0029312100000000, 0.0055796300000000, -0.0075495200000000 ] - [ 0.0002814600000000, -0.0000164000000000, 0.0006097400000000 ] - [ 0.0000237300000000, 0.0009139400000000, 0.0000057700000000 ] - [ 0.0002391600000000, 0.0002145800000000, 0.0000138400000000 ] - [ -0.0001963400000000, 0.0002997800000000, 0.0000500400000000 ] - [ 0.0001897600000000, 0.0006334000000000, 0.0003021500000000 ] - [ 0.0066343100000000, -0.1149522900000000, 0.0017376700000000 ] - [ 0.0001871000000000, -0.0004837300000000, -0.0000845100000000 ] - [ 0.0042852300000000, -0.0116219000000000, 0.0045451000000000 ] - [ -0.0006135300000000, -0.0011842600000000, 0.0002600400000000 ] - [ 0.0005468500000000, 0.0010409600000000, -0.0001836900000000 ] - [ -0.0000286100000000, 0.0005306700000000, 0.0003595200000000 ] - [ 0.0002783000000000, 0.0009177500000000, -0.0007304100000000 ] - [ -0.0000654600000000, 0.0009157100000000, 0.0006113800000000 ] - [ -0.0008257400000000, 0.0006923000000000, 0.0006797800000000 ] - [ -0.0000470900000000, 0.0002794800000000, -0.0000443100000000 ] - [ 0.0003136600000000, 0.0004998300000000, -0.0001762200000000 ] - [ 0.0000023800000000, 0.0002450600000000, -0.0000440600000000 ] - [ 0.0000461700000000, -0.0008384200000000, 0.0004700000000000 ] - [ 0.0003784900000000, -0.0003225600000000, -0.0001473000000000 ] - [ -0.0006176900000000, -0.0017712900000000, 0.0002994800000000 ] - [ 0.0001588300000000, 0.0000332200000000, -0.0003205400000000 ] - [ 0.0001014700000000, 0.0002365500000000, -0.0001053500000000 ] - [ 0.0001348000000000, -0.0000734400000000, -0.0000640900000000 ] - [ -0.0002252800000000, 0.0002303200000000, 0.0002276700000000 ] - [ 0.0000352100000000, 0.0000983600000000, 0.0001300700000000 ] - [ 0.0002992800000000, 0.0004244700000000, 0.0005564700000000 ] - [ 0.0000660500000000, 0.0002855400000000, -0.0000891800000000 ] - [ 0.0001346500000000, 0.0002227100000000, 0.0001871700000000 ] - [ 0.0002191600000000, 0.0002228600000000, -0.0002651600000000 ] - [ -0.0002680700000000, -0.0000337800000000, -0.0001082800000000 ] - [ 0.0000915600000000, 0.0000535500000000, 0.0001891200000000 ] - [ 0.0015520200000000, 0.0012374800000000, -0.0006493900000000 ] - [ 0.0001016500000000, -0.0001500300000000, 0.0000500700000000 ] - [ -0.0001256600000000, 0.0007105000000000, -0.0000378400000000 ] - [ -0.0001394100000000, 0.0001724500000000, -0.0002247600000000 ] - [ 0.0001667100000000, 0.0002127800000000, 0.0002203400000000 ] - [ 0.0001940400000000, 0.0002492100000000, 0.0001411100000000 ] - [ -0.0000072400000000, 0.0012761500000000, -0.0002511800000000 ] - [ 0.0001104200000000, 0.0002073600000000, -0.0001618100000000 ] - [ 0.0000108100000000, 0.0012891200000000, 0.0002255500000000 ] - [ -0.0001835700000000, 0.0005137200000000, 0.0001836900000000 ] - [ 0.0013048100000000, 0.0041867300000000, 0.0017272600000000 ] - [ 0.0001201500000000, 0.0003466800000000, -0.0003619600000000 ] - [ -0.0002913900000000, 0.0005720200000000, 0.0004094100000000 ] - [ -0.0004213100000000, 0.0002389600000000, -0.0010583600000000 ] - [ -0.0014886700000000, 0.0082364500000000, 0.0009490900000000 ] - [ 0.0002492500000000, 0.0000037700000000, 0.0000342200000000 ] - [ 0.0013979800000000, 0.0029749100000000, 0.0005600700000000 ] - [ -0.0001185400000000, -0.0000400800000000, -0.0002408000000000 ] - [ -0.0024955400000000, -0.0029504600000000, -0.0006692300000000 ] - [ -0.0006770600000000, -0.0008208700000000, 0.0002467300000000 ] - [ 0.0035124100000000, -0.0043600000000000, 0.0009929000000000 ] - [ -0.0001749600000000, -0.0025617000000000, -0.0020384800000000 ] - [ -0.0011687400000000, -0.0043529900000000, 0.0036007400000000 ] - [ 0.0003579800000000, -0.0001997500000000, -0.0006274500000000 ] - [ 0.0005060100000000, -0.0008473400000000, -0.0002709500000000 ] - [ -0.0003890100000000, -0.0002500200000000, 0.0001972500000000 ] - [ -0.0001107900000000, -0.0001046100000000, -0.0000035800000000 ] - [ 0.0001400800000000, 0.0003964200000000, 0.0006596000000000 ] - [ -0.0010461800000000, 0.0022019300000000, -0.0022378400000000 ] - [ -0.0000677300000000, -0.0002336200000000, 0.0000084700000000 ]- atom: 89 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007446200000000, 0.0001033000000000, -0.0005548700000000 ] - [ -0.0000630000000000, -0.0000614900000000, 0.0004914200000000 ] - [ -0.0162776300000000, -0.0335618500000000, -0.0186399900000000 ] - [ 0.0000431200000000, -0.0003784500000000, 0.0000744300000000 ] - [ -0.0010331600000000, -0.0031488100000000, -0.0022997000000000 ] - [ -0.0007628200000000, -0.0002285100000000, 0.0002250100000000 ] - [ -0.0193968300000000, -0.0226489200000000, 0.0146158600000000 ] - [ 0.0006072000000000, -0.0003952900000000, 0.0000150500000000 ] - [ 0.0007232900000000, 0.0008162700000000, -0.0001561200000000 ] - [ 0.0002741400000000, 0.0003777100000000, 0.0002689500000000 ] - [ -0.0001582500000000, 0.0004219200000000, -0.0002294900000000 ] - [ -0.0004004900000000, 0.0003697300000000, 0.0001642700000000 ] - [ -0.0020376100000000, 0.0016740200000000, -0.0001564400000000 ] - [ 0.0001480200000000, 0.0001044600000000, -0.0000314800000000 ] - [ -0.0001579800000000, 0.0003861000000000, 0.0010362200000000 ] - [ -0.0000766300000000, 0.0017391000000000, -0.0017075700000000 ] - [ -0.0002571100000000, 0.0012962900000000, 0.0000716500000000 ] - [ -0.0002696100000000, 0.0001863500000000, 0.0000711600000000 ] - [ 0.0001891700000000, 0.0007269300000000, -0.0002047700000000 ] - [ 0.0002976600000000, 0.0002015500000000, -0.0000792900000000 ] - [ 0.0000432800000000, 0.0004691700000000, 0.0004629600000000 ] - [ 0.0000488800000000, 0.0006079400000000, 0.0002682900000000 ] - [ -0.0002189700000000, 0.0006316300000000, -0.0002977400000000 ] - [ 0.0001204400000000, 0.0002472400000000, -0.0002626500000000 ] - [ 0.0000742400000000, -0.0000581900000000, -0.0003841700000000 ] - [ 0.0000918500000000, -0.0000022200000000, -0.0000714800000000 ] - [ 0.0004271000000000, 0.0005749300000000, 0.0005213900000000 ] - [ -0.0000489100000000, 0.0000089300000000, 0.0001780900000000 ] - [ 0.0208358600000000, -0.0286693500000000, -0.0210295200000000 ] - [ 0.0001362100000000, -0.0002813900000000, -0.0000424500000000 ] - [ -0.0005755500000000, -0.0007586000000000, 0.0008741300000000 ] - [ -0.0022290700000000, -0.0031028700000000, -0.0010215900000000 ] - [ -0.0012062700000000, 0.0028086200000000, -0.0018029900000000 ] - [ -0.0001311900000000, 0.0007267400000000, 0.0002086000000000 ] - [ 0.0000817100000000, -0.0000051000000000, -0.0000492800000000 ] - [ -0.0001013300000000, -0.0001273100000000, 0.0000976900000000 ] - [ 0.0003248600000000, 0.0010257200000000, 0.0007326100000000 ] - [ 0.0003578600000000, 0.0005251100000000, -0.0000352600000000 ] - [ -0.0000124500000000, 0.0010866500000000, -0.0004415200000000 ] - [ -0.0002787400000000, 0.0003898900000000, -0.0000428200000000 ] - [ 0.0001519700000000, 0.0000570800000000, 0.0002049000000000 ] - [ 0.0000390200000000, -0.0000093500000000, -0.0000679600000000 ] - [ 0.0000761000000000, 0.0004678300000000, 0.0000412800000000 ] - [ 0.0000461100000000, 0.0002372000000000, 0.0000284900000000 ] - [ -0.0004149800000000, 0.0004691200000000, 0.0003083100000000 ] - [ -0.0002917200000000, 0.0001280700000000, -0.0000069400000000 ] - [ 0.0003681500000000, 0.0002394200000000, -0.0001076300000000 ] - [ 0.0003042100000000, 0.0000526100000000, -0.0000078200000000 ] - [ 0.0001503000000000, -0.0000729000000000, 0.0001585100000000 ] - [ 0.0003440600000000, -0.0001457300000000, -0.0001922800000000 ] - [ 0.0003926300000000, -0.0008565700000000, 0.0008611200000000 ] - [ -0.0001003300000000, 0.0000368400000000, -0.0001785600000000 ] - [ -0.0008458500000000, 0.0005521300000000, 0.0005014200000000 ] - [ 0.0002483100000000, 0.0001542800000000, -0.0000583800000000 ] - [ -0.0002914300000000, 0.0001348000000000, -0.0000234800000000 ] - [ 0.0002089800000000, 0.0002263600000000, -0.0000218700000000 ] - [ -0.0006104100000000, -0.0004515500000000, -0.0001500700000000 ] - [ -0.0001211400000000, -0.0003939400000000, 0.0002189600000000 ] - [ 0.0011315100000000, -0.0007581400000000, -0.0003127700000000 ] - [ -0.0000283500000000, -0.0011023200000000, -0.0011359100000000 ] - [ -0.0003460200000000, -0.0003392700000000, 0.0003094100000000 ] - [ 0.0024824200000000, -0.0005135400000000, 0.0031073100000000 ] - [ 0.0185389200000000, -0.0244453400000000, 0.0229067700000000 ] - [ 0.0004769600000000, -0.0003013800000000, -0.0004640000000000 ] - [ -0.0008689600000000, -0.0003606800000000, 0.0011781400000000 ] - [ 0.0004792100000000, -0.0002659400000000, -0.0007987300000000 ] - [ 0.0009089000000000, -0.0002604100000000, -0.0005522800000000 ] - [ -0.0001929600000000, -0.0001760000000000, 0.0003907900000000 ] - [ -0.0001012300000000, 0.0003039800000000, 0.0001225600000000 ] - [ 0.0002561400000000, -0.0000024700000000, 0.0000747800000000 ] - [ -0.0003225900000000, 0.0002391600000000, -0.0001194600000000 ] - [ -0.0001098300000000, 0.0000934400000000, -0.0000614600000000 ] - [ -0.0001452800000000, 0.0006981500000000, 0.0001478800000000 ] - [ -0.0001026100000000, 0.0007207100000000, -0.0002068400000000 ] - [ -0.0005067800000000, -0.0012447900000000, 0.0002237400000000 ] - [ 0.0003453900000000, -0.0007641300000000, -0.0002352600000000 ] - [ 0.0003991800000000, 0.0000888800000000, -0.0000085300000000 ] - [ 0.0002786900000000, -0.0000763000000000, 0.0003631100000000 ] - [ 0.0001465700000000, -0.0002552900000000, 0.0002991400000000 ] - [ -0.0001352800000000, 0.0000498700000000, -0.0002384500000000 ] - [ 0.0072256300000000, -0.0047844800000000, 0.0055890500000000 ] - [ 0.0000197400000000, 0.0001363200000000, -0.0000436000000000 ] - [ 0.0032287600000000, -0.0054138600000000, 0.0074503200000000 ] - [ 0.0000409600000000, 0.0002131300000000, -0.0007387200000000 ] - [ 0.0003041300000000, -0.0011088100000000, -0.0001447400000000 ] - [ 0.0000816700000000, -0.0004113200000000, -0.0001512500000000 ] - [ -0.0001274500000000, -0.0004936500000000, 0.0000869200000000 ] - [ -0.0005171800000000, -0.0008317200000000, -0.0001701500000000 ] - [ -0.0066329300000000, 0.1145359200000000, -0.0017835200000000 ] - [ 0.0001353300000000, -0.0000812300000000, -0.0000012200000000 ] - [ -0.0046070300000000, 0.0110295000000000, -0.0044557800000000 ] - [ 0.0002862600000000, 0.0006190000000000, -0.0001687800000000 ] - [ -0.0008772100000000, -0.0004647100000000, 0.0002608000000000 ] - [ -0.0002955800000000, 0.0000385600000000, -0.0002751200000000 ] - [ 0.0000505300000000, -0.0003409500000000, 0.0006417400000000 ] - [ 0.0004014700000000, -0.0003468200000000, -0.0006970300000000 ] - [ 0.0005047700000000, -0.0004939100000000, -0.0005460100000000 ] - [ -0.0002779400000000, -0.0000814100000000, 0.0001765900000000 ] - [ 0.0000110800000000, -0.0003041300000000, 0.0000411300000000 ] - [ 0.0003182700000000, -0.0000475700000000, -0.0000904500000000 ] - [ 0.0002730000000000, 0.0006407200000000, -0.0006101000000000 ] - [ -0.0000520000000000, 0.0001285200000000, 0.0000130300000000 ] - [ 0.0002841100000000, 0.0015788100000000, -0.0001670800000000 ] - [ -0.0004823900000000, -0.0002310900000000, 0.0004603600000000 ] - [ 0.0002238600000000, -0.0008062400000000, 0.0000145400000000 ] - [ 0.0001939400000000, -0.0004950200000000, -0.0000253100000000 ] - [ -0.0001047200000000, -0.0007991200000000, -0.0001464200000000 ] - [ -0.0003615900000000, -0.0006663900000000, -0.0000502400000000 ] - [ -0.0006278300000000, 0.0001431400000000, -0.0004656000000000 ] - [ -0.0003922900000000, 0.0002862700000000, 0.0001727000000000 ] - [ 0.0001869200000000, 0.0003439900000000, -0.0002772900000000 ] - [ 0.0001108800000000, 0.0003493900000000, 0.0001790600000000 ] - [ 0.0006305700000000, 0.0001541700000000, 0.0004542100000000 ] - [ 0.0002735100000000, 0.0000718500000000, 0.0001580000000000 ] - [ -0.0019079800000000, -0.0011140100000000, 0.0002972400000000 ] - [ -0.0004636400000000, 0.0002701900000000, -0.0003995100000000 ] - [ -0.0002448600000000, -0.0008339600000000, -0.0003089500000000 ] - [ -0.0002224700000000, -0.0002966200000000, -0.0001230300000000 ] - [ 0.0001957100000000, -0.0003380900000000, 0.0001257200000000 ] - [ 0.0001668100000000, -0.0003697200000000, 0.0002091300000000 ] - [ 0.0003028000000000, -0.0013478500000000, -0.0000984900000000 ] - [ 0.0001840200000000, -0.0002814700000000, -0.0001825300000000 ] - [ -0.0003076800000000, -0.0013672500000000, 0.0001248400000000 ] - [ -0.0001108400000000, -0.0005912800000000, 0.0001648200000000 ] - [ -0.0015883600000000, -0.0041183400000000, -0.0013934900000000 ] - [ -0.0004181100000000, -0.0002705600000000, 0.0007054500000000 ] - [ 0.0005838000000000, -0.0004878400000000, -0.0007501800000000 ] - [ 0.0007203200000000, -0.0001637300000000, 0.0007141200000000 ] - [ 0.0018322500000000, -0.0080107200000000, -0.0005903900000000 ] - [ 0.0001185500000000, 0.0001223500000000, 0.0003154800000000 ] - [ -0.0017686200000000, -0.0028535800000000, -0.0009048700000000 ] - [ -0.0002418000000000, 0.0001597300000000, -0.0001047900000000 ] - [ 0.0021305100000000, 0.0028229600000000, 0.0003223700000000 ] - [ 0.0003110900000000, 0.0007010100000000, -0.0005909400000000 ] - [ -0.0031453500000000, 0.0042402500000000, -0.0006255000000000 ] - [ 0.0005343400000000, 0.0024386100000000, 0.0023842000000000 ] - [ 0.0014776400000000, 0.0042710500000000, -0.0039440100000000 ] - [ -0.0000620900000000, 0.0001201300000000, 0.0002819400000000 ] - [ -0.0008012500000000, 0.0007685700000000, 0.0006186600000000 ] - [ 0.0000949600000000, 0.0001724900000000, 0.0001510800000000 ] - [ -0.0001820700000000, 0.0001826500000000, 0.0003470300000000 ] - [ -0.0004328000000000, -0.0003156500000000, -0.0003129300000000 ] - [ 0.0013407900000000, -0.0021238700000000, 0.0018993000000000 ] - [ 0.0003611800000000, 0.0003159200000000, -0.0003562800000000 ]- atom: 89 displacement: [ -0.0026967483687124, 0.0000000000000000, 0.0096295144340640 ] forces: - [ 0.0007698700000000, 0.0014645400000000, 0.0000461600000000 ] - [ -0.0002533600000000, -0.0005079300000000, -0.0005344700000000 ] - [ 0.0119114300000000, 0.0145654900000000, 0.0171605400000000 ] - [ -0.0000328200000000, 0.0001082800000000, -0.0004466900000000 ] - [ -0.0003485300000000, 0.0018994900000000, 0.0026263300000000 ] - [ -0.0001783100000000, -0.0001882000000000, -0.0005468800000000 ] - [ -0.0261750500000000, -0.0201977000000000, 0.0205180500000000 ] - [ 0.0005767900000000, -0.0000440700000000, -0.0008623700000000 ] - [ 0.0006756200000000, 0.0008077100000000, 0.0002722400000000 ] - [ 0.0003925900000000, -0.0002326100000000, -0.0004206000000000 ] - [ -0.0000352600000000, 0.0002264500000000, 0.0001502300000000 ] - [ -0.0003848100000000, -0.0000111700000000, -0.0002573000000000 ] - [ 0.0034535500000000, -0.0021965000000000, 0.0006762700000000 ] - [ 0.0002372300000000, 0.0002442000000000, -0.0005616600000000 ] - [ -0.0001988300000000, -0.0004009200000000, -0.0008083800000000 ] - [ -0.0000132000000000, 0.0023482900000000, -0.0020892900000000 ] - [ -0.0003246200000000, -0.0001886700000000, 0.0005562400000000 ] - [ -0.0000732200000000, -0.0001385300000000, -0.0003812200000000 ] - [ 0.0001237400000000, -0.0003251200000000, 0.0001316000000000 ] - [ 0.0003449800000000, -0.0001405600000000, -0.0001981300000000 ] - [ -0.0003838500000000, -0.0000367400000000, -0.0000247000000000 ] - [ 0.0001142300000000, 0.0005515200000000, 0.0003671900000000 ] - [ 0.0005810200000000, -0.0002839200000000, 0.0001682000000000 ] - [ 0.0000644400000000, 0.0001368600000000, -0.0003989300000000 ] - [ 0.0001350500000000, 0.0000249400000000, 0.0001406400000000 ] - [ 0.0002514900000000, -0.0001225000000000, -0.0003697100000000 ] - [ 0.0000902000000000, 0.0009677800000000, 0.0015515300000000 ] - [ -0.0000987700000000, -0.0000123900000000, -0.0002248500000000 ] - [ -0.0212628700000000, 0.0222545800000000, 0.0317398400000000 ] - [ 0.0003066300000000, -0.0001196000000000, -0.0006234900000000 ] - [ 0.0001975100000000, -0.0002216300000000, -0.0007487300000000 ] - [ -0.0023540200000000, 0.0009085700000000, -0.0023582900000000 ] - [ -0.0030269500000000, 0.0007475300000000, 0.0031881200000000 ] - [ 0.0002538800000000, 0.0005464300000000, -0.0006121300000000 ] - [ 0.0001026600000000, -0.0007340500000000, 0.0001708300000000 ] - [ -0.0000380000000000, -0.0005221100000000, -0.0001800600000000 ] - [ 0.0003572100000000, -0.0001951100000000, 0.0001832300000000 ] - [ 0.0004187000000000, 0.0005334200000000, -0.0002261600000000 ] - [ 0.0000118600000000, -0.0001793600000000, 0.0007505400000000 ] - [ -0.0002151600000000, 0.0001261400000000, -0.0004804000000000 ] - [ 0.0000183900000000, -0.0002165500000000, 0.0002090300000000 ] - [ 0.0000116900000000, 0.0000438900000000, -0.0000622000000000 ] - [ 0.0002960600000000, 0.0001761700000000, 0.0003674600000000 ] - [ -0.0001297400000000, 0.0000626700000000, -0.0002122100000000 ] - [ -0.0002608600000000, 0.0003152700000000, 0.0005266100000000 ] - [ -0.0004150400000000, -0.0001067700000000, -0.0002527000000000 ] - [ 0.0003316200000000, -0.0002700200000000, 0.0003361500000000 ] - [ 0.0002807000000000, -0.0000237600000000, -0.0001692300000000 ] - [ 0.0005911000000000, 0.0000356200000000, 0.0001152400000000 ] - [ 0.0002329400000000, 0.0001703000000000, 0.0000016900000000 ] - [ -0.0010119300000000, -0.0005684700000000, 0.0006557300000000 ] - [ -0.0001342700000000, 0.0001978100000000, -0.0002983300000000 ] - [ -0.0011977400000000, 0.0010251900000000, 0.0017539000000000 ] - [ 0.0003354600000000, 0.0000711400000000, -0.0003991900000000 ] - [ -0.0002667400000000, 0.0001215000000000, -0.0001033100000000 ] - [ -0.0007914900000000, 0.0000631700000000, 0.0002070000000000 ] - [ 0.0000521800000000, -0.0000850000000000, 0.0004525800000000 ] - [ -0.0003254000000000, -0.0000435900000000, -0.0003438100000000 ] - [ 0.0011627500000000, -0.0003840200000000, -0.0001866700000000 ] - [ -0.0002930100000000, -0.0003900500000000, -0.0005856200000000 ] - [ 0.0001158500000000, 0.0002086700000000, -0.0002295000000000 ] - [ -0.0012686400000000, -0.0000047000000000, -0.0007853100000000 ] - [ 0.0160119000000000, -0.0174801600000000, 0.0294618700000000 ] - [ 0.0004618100000000, -0.0000233800000000, -0.0010651000000000 ] - [ 0.0009018900000000, -0.0014833300000000, -0.0007559500000000 ] - [ 0.0002459400000000, 0.0004055900000000, -0.0009626900000000 ] - [ -0.0009105700000000, -0.0000900600000000, 0.0015351100000000 ] - [ -0.0002881600000000, -0.0001856200000000, -0.0003147600000000 ] - [ -0.0000941900000000, 0.0001316200000000, 0.0004262700000000 ] - [ 0.0001864000000000, -0.0001825900000000, -0.0000813300000000 ] - [ -0.0003413200000000, -0.0000311100000000, -0.0002363200000000 ] - [ -0.0001994200000000, -0.0002048500000000, 0.0000505100000000 ] - [ -0.0002547500000000, 0.0005358100000000, 0.0004728800000000 ] - [ -0.0001474400000000, 0.0006648600000000, -0.0004130600000000 ] - [ -0.0004421400000000, -0.0008696900000000, 0.0003310200000000 ] - [ 0.0001551100000000, -0.0005165700000000, -0.0002557400000000 ] - [ 0.0005257600000000, 0.0003493700000000, 0.0002326500000000 ] - [ 0.0000794300000000, 0.0000171800000000, -0.0000429200000000 ] - [ 0.0003477100000000, -0.0000888200000000, 0.0006432800000000 ] - [ -0.0002676900000000, 0.0002349200000000, -0.0004038700000000 ] - [ -0.0051123200000000, 0.0045656900000000, -0.0102451200000000 ] - [ -0.0001761200000000, -0.0000569100000000, 0.0007243000000000 ] - [ 0.0060547700000000, -0.0084383900000000, 0.0058145700000000 ] - [ -0.0000367900000000, 0.0003132100000000, 0.0007218500000000 ] - [ -0.0003148100000000, -0.0002502800000000, -0.0008741400000000 ] - [ 0.0001524500000000, 0.0000068400000000, 0.0002846500000000 ] - [ -0.0004118700000000, -0.0002156600000000, 0.0000619900000000 ] - [ 0.0000035500000000, 0.0000560800000000, 0.0001812600000000 ] - [ 0.0207070400000000, 0.0002370600000000, -0.1047486300000000 ] - [ -0.0001114700000000, -0.0003318100000000, 0.0007586700000000 ] - [ 0.0057909900000000, -0.0033995700000000, 0.0039744300000000 ] - [ -0.0006224000000000, -0.0006142800000000, 0.0006520900000000 ] - [ -0.0008625900000000, -0.0001260600000000, -0.0017545800000000 ] - [ 0.0000716400000000, 0.0005541900000000, 0.0005847300000000 ] - [ 0.0004319500000000, -0.0004058800000000, 0.0007147600000000 ] - [ 0.0004582300000000, 0.0009723500000000, 0.0007247000000000 ] - [ 0.0004648000000000, -0.0002006400000000, -0.0013165300000000 ] - [ -0.0001827400000000, 0.0000858800000000, 0.0004128500000000 ] - [ 0.0003357700000000, 0.0001702100000000, -0.0004977700000000 ] - [ 0.0003167200000000, 0.0000566700000000, 0.0001354300000000 ] - [ 0.0000615200000000, 0.0004640600000000, -0.0006973900000000 ] - [ 0.0002260400000000, -0.0002885200000000, 0.0001638000000000 ] - [ 0.0003932700000000, 0.0004424700000000, 0.0003513300000000 ] - [ -0.0005359500000000, -0.0005031700000000, 0.0004254400000000 ] - [ 0.0000699800000000, -0.0003241500000000, -0.0009078900000000 ] - [ 0.0002483600000000, -0.0002957400000000, 0.0002028700000000 ] - [ -0.0002004800000000, -0.0004776700000000, -0.0003987400000000 ] - [ -0.0000768200000000, -0.0003132000000000, 0.0003036500000000 ] - [ -0.0003333700000000, 0.0006469600000000, -0.0013992300000000 ] - [ -0.0002798200000000, 0.0000919700000000, 0.0003205600000000 ] - [ 0.0001712400000000, 0.0005101800000000, -0.0000574300000000 ] - [ 0.0000883700000000, 0.0000552600000000, -0.0000812100000000 ] - [ -0.0005963200000000, -0.0002318500000000, -0.0005130900000000 ] - [ 0.0002645500000000, 0.0000235700000000, 0.0004964000000000 ] - [ -0.0023771600000000, -0.0011904700000000, 0.0003129700000000 ] - [ 0.0000532600000000, 0.0002199000000000, 0.0002415400000000 ] - [ -0.0001907400000000, -0.0006047500000000, -0.0004858000000000 ] - [ -0.0003226900000000, -0.0001057000000000, 0.0000764900000000 ] - [ 0.0001047500000000, -0.0000742000000000, 0.0003517400000000 ] - [ 0.0002986100000000, 0.0000108100000000, 0.0002150700000000 ] - [ 0.0004983500000000, 0.0006298800000000, -0.0009878600000000 ] - [ 0.0001765300000000, -0.0000218600000000, 0.0002240600000000 ] - [ 0.0000306700000000, -0.0007070800000000, -0.0004243400000000 ] - [ -0.0001589800000000, 0.0000490800000000, 0.0006191100000000 ] - [ 0.0022040400000000, 0.0019557900000000, -0.0012735800000000 ] - [ -0.0005326700000000, -0.0001557100000000, 0.0011225700000000 ] - [ -0.0002790300000000, 0.0003374500000000, 0.0006012800000000 ] - [ 0.0007431500000000, -0.0006807600000000, -0.0002375000000000 ] - [ -0.0019006600000000, 0.0001579200000000, -0.0040418300000000 ] - [ -0.0000028300000000, -0.0000086500000000, 0.0008454500000000 ] - [ 0.0012130200000000, 0.0020786400000000, 0.0006937100000000 ] - [ -0.0003772500000000, 0.0000030900000000, 0.0002912200000000 ] - [ -0.0030249600000000, -0.0015060400000000, -0.0004507700000000 ] - [ 0.0000086400000000, 0.0001675800000000, 0.0010123300000000 ] - [ -0.0001488800000000, 0.0000412300000000, 0.0073805000000000 ] - [ -0.0014138300000000, 0.0007997400000000, 0.0042173100000000 ] - [ -0.0014921400000000, 0.0037540900000000, -0.0050477800000000 ] - [ 0.0001470500000000, -0.0000416500000000, 0.0005462600000000 ] - [ 0.0001332900000000, -0.0003347300000000, -0.0003120600000000 ] - [ -0.0000582200000000, -0.0000658100000000, 0.0006136600000000 ] - [ 0.0000426200000000, 0.0000627300000000, -0.0001094500000000 ] - [ 0.0001594800000000, 0.0003011000000000, 0.0006509100000000 ] - [ 0.0010521700000000, -0.0012214200000000, 0.0020194500000000 ] - [ -0.0003201300000000, 0.0003264200000000, 0.0001543000000000 ]- atom: 89 displacement: [ 0.0026967483687124, 0.0000000000000000, -0.0096295144340640 ] forces: - [ -0.0007674300000000, -0.0015916700000000, -0.0000384400000000 ] - [ 0.0002420700000000, 0.0004010000000000, 0.0005211500000000 ] - [ -0.0116025500000000, -0.0142042700000000, -0.0171083100000000 ] - [ 0.0000383800000000, 0.0000012000000000, 0.0004537700000000 ] - [ -0.0003741900000000, -0.0020682500000000, -0.0026559300000000 ] - [ -0.0005355900000000, 0.0000201300000000, 0.0005220100000000 ] - [ 0.0259935500000000, 0.0191747200000000, -0.0200311700000000 ] - [ 0.0001276000000000, -0.0001235600000000, 0.0008873500000000 ] - [ 0.0000337200000000, -0.0006336400000000, -0.0002387400000000 ] - [ 0.0003236100000000, 0.0003933300000000, 0.0004390200000000 ] - [ -0.0006809800000000, -0.0000608800000000, -0.0001747600000000 ] - [ -0.0003277400000000, 0.0001830900000000, 0.0002278900000000 ] - [ -0.0029771200000000, 0.0023951200000000, -0.0007206800000000 ] - [ 0.0002322400000000, -0.0000413300000000, 0.0005083000000000 ] - [ -0.0002795000000000, 0.0006007900000000, 0.0008611300000000 ] - [ -0.0004480600000000, -0.0021612200000000, 0.0021512200000000 ] - [ -0.0001453000000000, -0.0000141600000000, -0.0005053500000000 ] - [ -0.0003962900000000, -0.0000668100000000, 0.0004295200000000 ] - [ 0.0003432200000000, 0.0001250600000000, -0.0001795700000000 ] - [ 0.0001243300000000, -0.0000636200000000, 0.0001459500000000 ] - [ 0.0000139800000000, 0.0001951600000000, 0.0003743600000000 ] - [ -0.0004802700000000, -0.0003913300000000, -0.0000161600000000 ] - [ -0.0002200400000000, 0.0004501800000000, -0.0005224800000000 ] - [ 0.0002873500000000, 0.0000318700000000, 0.0000348900000000 ] - [ 0.0002283800000000, -0.0001856500000000, -0.0004942100000000 ] - [ 0.0001117100000000, -0.0000405900000000, 0.0000175700000000 ] - [ -0.0004540200000000, -0.0011242200000000, -0.0012022600000000 ] - [ -0.0002695900000000, -0.0001492100000000, 0.0005731600000000 ] - [ 0.0224505100000000, -0.0235421700000000, -0.0319568500000000 ] - [ 0.0001800800000000, -0.0002608900000000, 0.0008484500000000 ] - [ -0.0006766400000000, -0.0001469500000000, 0.0005187800000000 ] - [ 0.0018641500000000, -0.0012838400000000, 0.0021199000000000 ] - [ 0.0030238400000000, 0.0004555400000000, -0.0031968600000000 ] - [ -0.0002518300000000, 0.0006458600000000, 0.0006083100000000 ] - [ -0.0001018400000000, -0.0004571200000000, -0.0001709700000000 ] - [ 0.0000410000000000, -0.0006693200000000, 0.0001787800000000 ] - [ 0.0001216900000000, 0.0005659100000000, 0.0000482600000000 ] - [ 0.0000729300000000, -0.0001534600000000, 0.0004502200000000 ] - [ -0.0004939600000000, 0.0005521500000000, -0.0009843500000000 ] - [ -0.0002701300000000, 0.0002525800000000, 0.0002532300000000 ] - [ -0.0000221400000000, 0.0001096900000000, -0.0002106200000000 ] - [ -0.0000079300000000, -0.0001420200000000, 0.0000658200000000 ] - [ -0.0003012400000000, -0.0000699200000000, -0.0003765300000000 ] - [ 0.0001421600000000, 0.0000458500000000, 0.0002243500000000 ] - [ -0.0004459000000000, -0.0004850500000000, -0.0005520600000000 ] - [ -0.0003027300000000, -0.0000628500000000, 0.0002266800000000 ] - [ 0.0003839900000000, 0.0000986700000000, -0.0003111000000000 ] - [ 0.0004283500000000, -0.0001525800000000, 0.0002021900000000 ] - [ 0.0001153300000000, 0.0001302300000000, -0.0000935200000000 ] - [ 0.0004837300000000, -0.0000034300000000, 0.0000218300000000 ] - [ 0.0002991200000000, 0.0007342000000000, -0.0006760200000000 ] - [ -0.0005828400000000, -0.0000296100000000, 0.0002741300000000 ] - [ 0.0016725500000000, -0.0008283300000000, -0.0018026600000000 ] - [ 0.0001294900000000, 0.0001364000000000, 0.0003551000000000 ] - [ -0.0002015800000000, 0.0000830900000000, 0.0001495400000000 ] - [ 0.0003256800000000, 0.0001418600000000, -0.0001627200000000 ] - [ -0.0005285700000000, -0.0001166500000000, -0.0003987200000000 ] - [ -0.0001444800000000, -0.0001628600000000, 0.0003902100000000 ] - [ -0.0006974200000000, 0.0001829300000000, 0.0001383200000000 ] - [ 0.0007686300000000, 0.0001855200000000, 0.0005331400000000 ] - [ -0.0004838900000000, -0.0000451100000000, 0.0005796300000000 ] - [ 0.0009117000000000, 0.0001606800000000, 0.0011454700000000 ] - [ -0.0161671100000000, 0.0180647900000000, -0.0300789900000000 ] - [ -0.0000988800000000, 0.0001841100000000, 0.0007092100000000 ] - [ -0.0005282000000000, 0.0013131000000000, 0.0004002100000000 ] - [ 0.0001093800000000, -0.0005803800000000, 0.0005987700000000 ] - [ 0.0005437500000000, -0.0000799000000000, -0.0011740700000000 ] - [ -0.0000772200000000, 0.0000181800000000, 0.0006715300000000 ] - [ 0.0005738700000000, -0.0005081100000000, -0.0001972100000000 ] - [ 0.0003071900000000, -0.0002036700000000, 0.0003092400000000 ] - [ -0.0001358700000000, -0.0003398700000000, 0.0000009100000000 ] - [ -0.0002878700000000, -0.0001776300000000, -0.0002806100000000 ] - [ 0.0002514200000000, 0.0006561400000000, -0.0004701300000000 ] - [ 0.0001486200000000, 0.0005291100000000, 0.0004093500000000 ] - [ 0.0004380400000000, -0.0003213300000000, -0.0003282600000000 ] - [ -0.0001568400000000, -0.0006751000000000, 0.0002565700000000 ] - [ -0.0000445600000000, 0.0000242400000000, -0.0000008800000000 ] - [ 0.0003993600000000, 0.0003553000000000, 0.0002698200000000 ] - [ -0.0008273700000000, 0.0004621900000000, -0.0008729700000000 ] - [ -0.0002129600000000, 0.0001401800000000, 0.0001672200000000 ] - [ 0.0047956300000000, -0.0043705500000000, 0.0104030000000000 ] - [ -0.0001581600000000, 0.0002534800000000, -0.0005822100000000 ] - [ -0.0057366400000000, 0.0086034100000000, -0.0059324000000000 ] - [ 0.0003687700000000, -0.0001164800000000, -0.0008590000000000 ] - [ 0.0006480900000000, 0.0000502300000000, 0.0007347900000000 ] - [ 0.0001852800000000, -0.0002027600000000, -0.0004221500000000 ] - [ 0.0000808300000000, 0.0000192600000000, 0.0000784900000000 ] - [ -0.0003383600000000, -0.0002550800000000, -0.0000358400000000 ] - [ -0.0199424900000000, 0.0004064100000000, 0.1048873100000000 ] - [ 0.0004315800000000, -0.0002500500000000, -0.0008501400000000 ] - [ -0.0060886000000000, 0.0028493700000000, -0.0038761200000000 ] - [ 0.0002903800000000, 0.0000335200000000, -0.0005611800000000 ] - [ 0.0005354100000000, 0.0007054500000000, 0.0018491600000000 ] - [ -0.0003960800000000, 0.0000324300000000, -0.0004923200000000 ] - [ -0.0001123200000000, 0.0009873800000000, -0.0008057700000000 ] - [ -0.0001221900000000, -0.0003901700000000, -0.0008066400000000 ] - [ -0.0007982500000000, 0.0003969300000000, 0.0014588800000000 ] - [ -0.0001534700000000, 0.0001123200000000, -0.0002740200000000 ] - [ -0.0000027900000000, 0.0000281000000000, 0.0003591100000000 ] - [ 0.0000171800000000, 0.0001431300000000, -0.0002765900000000 ] - [ 0.0002788600000000, -0.0006585100000000, 0.0005576800000000 ] - [ 0.0001099700000000, 0.0000881500000000, -0.0003035100000000 ] - [ -0.0007204000000000, -0.0006371700000000, -0.0002081200000000 ] - [ 0.0002008000000000, 0.0003040500000000, -0.0002822900000000 ] - [ 0.0002589700000000, -0.0002515100000000, 0.0008230000000000 ] - [ 0.0000739400000000, -0.0002839100000000, -0.0002929800000000 ] - [ -0.0001226000000000, -0.0000982500000000, 0.0004961900000000 ] - [ -0.0002554900000000, -0.0002583100000000, -0.0002122100000000 ] - [ 0.0000109600000000, -0.0000714400000000, 0.0014955500000000 ] - [ -0.0000488900000000, 0.0004768500000000, -0.0002269500000000 ] - [ 0.0001550200000000, 0.0000652700000000, -0.0000357000000000 ] - [ 0.0002353300000000, 0.0005217100000000, -0.0000095900000000 ] - [ 0.0009527600000000, 0.0003536700000000, 0.0008504300000000 ] - [ 0.0000926900000000, 0.0001050200000000, -0.0001573700000000 ] - [ 0.0020268200000000, 0.0013304300000000, -0.0006604200000000 ] - [ -0.0004115800000000, -0.0000944500000000, -0.0005836800000000 ] - [ -0.0001647800000000, 0.0004774300000000, 0.0001421900000000 ] - [ -0.0000390800000000, -0.0000182300000000, -0.0004155000000000 ] - [ 0.0002506700000000, -0.0000526800000000, -0.0000087200000000 ] - [ 0.0000569100000000, -0.0001447000000000, 0.0001237700000000 ] - [ -0.0002311900000000, -0.0007061300000000, 0.0006328000000000 ] - [ 0.0000878000000000, -0.0000541700000000, -0.0005820900000000 ] - [ -0.0002994700000000, 0.0006286200000000, 0.0007791500000000 ] - [ -0.0001066200000000, -0.0001228600000000, -0.0002617100000000 ] - [ -0.0024707400000000, -0.0018777300000000, 0.0016188500000000 ] - [ 0.0002681300000000, 0.0002315400000000, -0.0007647100000000 ] - [ 0.0005407200000000, -0.0002577700000000, -0.0009554300000000 ] - [ -0.0004775600000000, 0.0007504900000000, -0.0001106000000000 ] - [ 0.0022622300000000, -0.0000427300000000, 0.0043736800000000 ] - [ 0.0003586200000000, 0.0001397000000000, -0.0005001200000000 ] - [ -0.0015766200000000, -0.0019552300000000, -0.0010336800000000 ] - [ 0.0000161700000000, 0.0001276900000000, -0.0006272200000000 ] - [ 0.0026655600000000, 0.0013754300000000, 0.0001078200000000 ] - [ -0.0003621600000000, -0.0003004400000000, -0.0013515600000000 ] - [ 0.0005084300000000, -0.0001779200000000, -0.0071223900000000 ] - [ 0.0017610100000000, -0.0009371200000000, -0.0038634800000000 ] - [ 0.0017636800000000, -0.0038398900000000, 0.0046778400000000 ] - [ 0.0001194100000000, -0.0000385900000000, -0.0008943800000000 ] - [ -0.0004044700000000, 0.0002625900000000, 0.0006644500000000 ] - [ -0.0002077200000000, -0.0000116200000000, -0.0002597800000000 ] - [ -0.0003113900000000, 0.0000155500000000, 0.0004664400000000 ] - [ -0.0004210000000000, -0.0002254100000000, -0.0002965500000000 ] - [ -0.0007838300000000, 0.0012931400000000, -0.0023660400000000 ] - [ 0.0005783200000000, -0.0002484700000000, -0.0005076900000000 ]- atom: 113 displacement: [ 0.0099999386121055, 0.0000000000000000, -0.0000350393225009 ] forces: - [ -0.0001356800000000, 0.0001049200000000, -0.0001849700000000 ] - [ -0.0001421400000000, 0.0000045800000000, -0.0000305200000000 ] - [ -0.0007894700000000, 0.0008150100000000, -0.0001602200000000 ] - [ -0.0000096700000000, 0.0001827800000000, -0.0001169500000000 ] - [ -0.0020525100000000, 0.0020037600000000, 0.0016874900000000 ] - [ -0.0001130200000000, -0.0000096100000000, 0.0001103500000000 ] - [ -0.0006585000000000, 0.0000566200000000, 0.0001004700000000 ] - [ 0.0001502000000000, -0.0000100200000000, -0.0001344000000000 ] - [ 0.0000552100000000, -0.0000051400000000, -0.0000284500000000 ] - [ 0.0001545500000000, 0.0000811400000000, -0.0000421500000000 ] - [ -0.0002193600000000, -0.0000623600000000, -0.0000533000000000 ] - [ -0.0004599100000000, 0.0000025700000000, 0.0001302800000000 ] - [ 0.0110728300000000, 0.0017456900000000, 0.0051921100000000 ] - [ 0.0001982300000000, 0.0001356300000000, 0.0002603900000000 ] - [ -0.0006714800000000, 0.0001014600000000, -0.0001451300000000 ] - [ -0.0013877800000000, -0.0000227200000000, 0.0002586300000000 ] - [ -0.0008282600000000, -0.0000966400000000, 0.0001947400000000 ] - [ -0.0003636100000000, -0.0000772400000000, -0.0000836700000000 ] - [ -0.0001223500000000, -0.0005317600000000, 0.0004630500000000 ] - [ 0.0003955700000000, -0.0002898400000000, -0.0001921200000000 ] - [ -0.0005411500000000, 0.0001624900000000, 0.0003502600000000 ] - [ -0.0008024500000000, 0.0002421500000000, -0.0006905100000000 ] - [ 0.0029893600000000, 0.0006020000000000, 0.0012339800000000 ] - [ 0.0003407600000000, -0.0000173600000000, 0.0002927200000000 ] - [ 0.0054874400000000, 0.0032254700000000, -0.0023273800000000 ] - [ 0.0009348900000000, 0.0002841800000000, 0.0002978800000000 ] - [ -0.0016671800000000, 0.0006682700000000, 0.0000270500000000 ] - [ -0.0001384100000000, -0.0000446200000000, 0.0002119900000000 ] - [ -0.0014391300000000, 0.0010316900000000, -0.0000204100000000 ] - [ 0.0001614400000000, -0.0001553700000000, 0.0001470100000000 ] - [ -0.0002179400000000, 0.0000293800000000, -0.0006331500000000 ] - [ -0.0010699100000000, -0.0001064700000000, 0.0004854100000000 ] - [ -0.0018538500000000, 0.0007771600000000, 0.0009764500000000 ] - [ -0.0000694200000000, 0.0005904100000000, -0.0002112000000000 ] - [ -0.0002774000000000, -0.0010992400000000, -0.0002476300000000 ] - [ -0.0002611800000000, -0.0006340800000000, 0.0000966800000000 ] - [ -0.0000384100000000, 0.0001222300000000, 0.0001341500000000 ] - [ 0.0001924900000000, 0.0000671100000000, -0.0000849600000000 ] - [ -0.0004332500000000, -0.0000861700000000, -0.0001505600000000 ] - [ -0.0003213600000000, 0.0002157600000000, -0.0001095300000000 ] - [ -0.0003127300000000, 0.0008930700000000, 0.0016897500000000 ] - [ 0.0008798800000000, 0.0005181000000000, 0.0003958600000000 ] - [ 0.0026390500000000, -0.0005245800000000, 0.0013682100000000 ] - [ 0.0001066100000000, 0.0001161000000000, 0.0002074300000000 ] - [ -0.0009545400000000, 0.0005788400000000, 0.0000616000000000 ] - [ -0.0003955300000000, -0.0000585900000000, 0.0000073200000000 ] - [ 0.0017228200000000, -0.0001285700000000, 0.0002789500000000 ] - [ 0.0004880700000000, -0.0001659400000000, 0.0000955400000000 ] - [ 0.0026057200000000, 0.0002184400000000, 0.0011311900000000 ] - [ 0.0015217700000000, 0.0008240400000000, 0.0003650700000000 ] - [ -0.0017761600000000, -0.0000266200000000, 0.0010341800000000 ] - [ -0.0004825200000000, 0.0002126800000000, -0.0004808600000000 ] - [ 0.0000526800000000, 0.0000116100000000, 0.0001665100000000 ] - [ 0.0002044200000000, 0.0001031400000000, -0.0001303300000000 ] - [ -0.0000679700000000, -0.0000215300000000, 0.0001743700000000 ] - [ 0.0001348400000000, 0.0000804600000000, -0.0000473800000000 ] - [ 0.0023043600000000, -0.0010733100000000, -0.0000004000000000 ] - [ -0.0001049100000000, 0.0000195600000000, 0.0003176400000000 ] - [ 0.0000962500000000, -0.0004442500000000, -0.0005179100000000 ] - [ -0.0001657400000000, -0.0003405900000000, 0.0003183300000000 ] - [ 0.0002204100000000, 0.0001242400000000, 0.0001101200000000 ] - [ 0.0000966500000000, 0.0007598800000000, 0.0009732800000000 ] - [ -0.0006633200000000, 0.0004442400000000, -0.0003992100000000 ] - [ 0.0000150500000000, 0.0001221200000000, -0.0003002400000000 ] - [ -0.0001982100000000, -0.0001160300000000, -0.0002888400000000 ] - [ -0.0000116800000000, -0.0000912800000000, -0.0003146200000000 ] - [ 0.0002651300000000, 0.0000961300000000, 0.0002646700000000 ] - [ -0.0001358500000000, -0.0000963900000000, 0.0003365500000000 ] - [ 0.0008206000000000, 0.0001322400000000, 0.0008971700000000 ] - [ 0.0004393900000000, -0.0002680600000000, 0.0002937900000000 ] - [ -0.0001758700000000, -0.0000704600000000, 0.0000764400000000 ] - [ 0.0001131500000000, 0.0008100600000000, -0.0007836800000000 ] - [ 0.0002556400000000, 0.0006606400000000, -0.0000318700000000 ] - [ 0.0000127800000000, 0.0005806900000000, 0.0001178900000000 ] - [ -0.0002917300000000, -0.0017072300000000, 0.0012470400000000 ] - [ 0.0003613500000000, -0.0009864300000000, -0.0005213500000000 ] - [ 0.0021397000000000, 0.0024612700000000, 0.0033401600000000 ] - [ 0.0004100700000000, 0.0000825400000000, 0.0005130700000000 ] - [ 0.0068113900000000, 0.0028153800000000, 0.0007047600000000 ] - [ -0.0000680000000000, 0.0002223000000000, -0.0000349500000000 ] - [ 0.0048505900000000, -0.0020552300000000, -0.0021147500000000 ] - [ -0.0002092400000000, -0.0000696600000000, 0.0000299200000000 ] - [ 0.0014946200000000, -0.0004980300000000, -0.0004448200000000 ] - [ 0.0004344200000000, 0.0002390900000000, 0.0001982300000000 ] - [ 0.0007332800000000, -0.0000139700000000, -0.0003744700000000 ] - [ 0.0003966700000000, -0.0000312500000000, -0.0000352700000000 ] - [ -0.0004200200000000, 0.0001335100000000, 0.0003300700000000 ] - [ 0.0002876500000000, 0.0001196700000000, -0.0002241300000000 ] - [ 0.0013541400000000, -0.0007385000000000, -0.0005080400000000 ] - [ 0.0002860000000000, -0.0003841500000000, 0.0000828500000000 ] - [ 0.0014747000000000, -0.0020153700000000, -0.0017824500000000 ] - [ -0.0006404800000000, -0.0005689700000000, 0.0001480200000000 ] - [ -0.0002772500000000, 0.0003487700000000, -0.0000020300000000 ] - [ -0.0000657300000000, 0.0003328200000000, -0.0000808000000000 ] - [ 0.0003771900000000, 0.0002786400000000, 0.0001429900000000 ] - [ 0.0004836300000000, 0.0003053600000000, -0.0000293200000000 ] - [ -0.0003244500000000, -0.0003087200000000, -0.0002400400000000 ] - [ -0.0002598800000000, 0.0002089900000000, 0.0000310500000000 ] - [ -0.0005889600000000, -0.0001222400000000, -0.0003415400000000 ] - [ 0.0000507700000000, 0.0001323300000000, -0.0002549500000000 ] - [ -0.0009256100000000, 0.0064065800000000, -0.0051552900000000 ] - [ -0.0005285600000000, -0.0004841300000000, -0.0000987900000000 ] - [ 0.0001415000000000, 0.0000571800000000, -0.0008509300000000 ] - [ 0.0006818800000000, 0.0004620900000000, 0.0007681300000000 ] - [ -0.0036594500000000, -0.0019444300000000, -0.0032605600000000 ] - [ -0.0001147800000000, -0.0002241700000000, -0.0003098800000000 ] - [ 0.0020713900000000, -0.0018689600000000, 0.0021059500000000 ] - [ -0.0000731900000000, -0.0003533500000000, -0.0001407500000000 ] - [ 0.0036269200000000, -0.0020216600000000, -0.0018617900000000 ] - [ -0.0004116600000000, -0.0002079000000000, 0.0001589500000000 ] - [ -0.0002754800000000, 0.0006456000000000, -0.0018271300000000 ] - [ -0.0039282600000000, -0.0030315600000000, -0.0015628600000000 ] - [ -0.0385844900000000, -0.0128518400000000, -0.0075598000000000 ] - [ 0.0000611100000000, -0.0000031200000000, -0.0002226700000000 ] - [ 0.0036113600000000, -0.0000781700000000, 0.0031556000000000 ] - [ 0.0002229600000000, -0.0000721600000000, -0.0006103700000000 ] - [ 0.0004373900000000, -0.0007570500000000, -0.0004511500000000 ] - [ -0.0002591600000000, 0.0000246700000000, 0.0001808100000000 ] - [ -0.0006468900000000, -0.0002596000000000, 0.0002660000000000 ] - [ -0.0006479600000000, 0.0008960900000000, -0.0002735100000000 ] - [ 0.0025295000000000, 0.0050238500000000, -0.0005353300000000 ] - [ 0.0000583900000000, -0.0000772700000000, -0.0002963100000000 ] - [ 0.0007526600000000, -0.0000002600000000, 0.0003328700000000 ] - [ 0.0001067500000000, -0.0000280200000000, 0.0003447800000000 ] - [ 0.0016615500000000, 0.0003108600000000, 0.0004015700000000 ] - [ 0.0001570300000000, 0.0001559000000000, 0.0004186400000000 ] - [ -0.0011040700000000, 0.0005444700000000, 0.0029618700000000 ] - [ 0.0009193700000000, 0.0000613500000000, -0.0014595700000000 ] - [ 0.0006875000000000, -0.0001916800000000, 0.0001859200000000 ] - [ 0.0003083700000000, 0.0000624200000000, 0.0002878000000000 ] - [ -0.0003720000000000, -0.0001067300000000, -0.0001548700000000 ] - [ -0.0003437000000000, 0.0001163500000000, -0.0001734200000000 ] - [ -0.0003625300000000, -0.0034299400000000, 0.0013606600000000 ] - [ -0.0001659800000000, -0.0000920600000000, -0.0005913700000000 ] - [ 0.0007542000000000, -0.0001875500000000, 0.0006210300000000 ] - [ 0.0007512800000000, -0.0001835900000000, 0.0001958300000000 ] - [ 0.0013189800000000, 0.0013164700000000, 0.0000620600000000 ] - [ 0.0003024900000000, -0.0000220900000000, -0.0001361400000000 ] - [ -0.0016331500000000, -0.0003819100000000, 0.0000082400000000 ] - [ -0.0004468200000000, 0.0001806300000000, -0.0003500600000000 ] - [ -0.0004889700000000, 0.0003591500000000, 0.0001133000000000 ] - [ -0.0004401900000000, -0.0000221900000000, -0.0000028500000000 ] - [ 0.0005510800000000, 0.0001931500000000, -0.0001818500000000 ] - [ 0.0003003900000000, -0.0000001900000000, -0.0000323900000000 ]- atom: 113 displacement: [ -0.0099999386121055, 0.0000000000000000, 0.0000350393225009 ] forces: - [ 0.0001437600000000, -0.0001965500000000, 0.0001943400000000 ] - [ 0.0001379000000000, -0.0001018900000000, 0.0000230400000000 ] - [ 0.0007988200000000, -0.0007278700000000, 0.0001665900000000 ] - [ 0.0000159300000000, -0.0000879000000000, 0.0001253200000000 ] - [ 0.0013139200000000, -0.0021877500000000, -0.0017278300000000 ] - [ -0.0006263800000000, -0.0001629900000000, -0.0001395000000000 ] - [ 0.0013965000000000, -0.0002335100000000, -0.0000675700000000 ] - [ 0.0005813400000000, -0.0001711300000000, 0.0001737900000000 ] - [ 0.0006793800000000, 0.0001815700000000, 0.0000642400000000 ] - [ 0.0005824000000000, 0.0000919600000000, 0.0000717500000000 ] - [ -0.0005252100000000, 0.0002303400000000, 0.0000260900000000 ] - [ -0.0002770300000000, 0.0001813800000000, -0.0001713300000000 ] - [ -0.0111754200000000, -0.0015851000000000, -0.0054720600000000 ] - [ 0.0002537200000000, 0.0000757200000000, -0.0002969200000000 ] - [ 0.0002195100000000, 0.0001106600000000, 0.0001812500000000 ] - [ 0.0009348300000000, 0.0002346500000000, -0.0002258300000000 ] - [ 0.0003762900000000, -0.0001134500000000, -0.0001594800000000 ] - [ -0.0000899400000000, -0.0001311800000000, 0.0001210700000000 ] - [ 0.0005645700000000, 0.0003146000000000, -0.0004909400000000 ] - [ 0.0000573300000000, 0.0000802100000000, 0.0001537800000000 ] - [ 0.0001720200000000, -0.0000040600000000, -0.0000030800000000 ] - [ 0.0004337300000000, -0.0000836800000000, 0.0010346500000000 ] - [ -0.0026082800000000, -0.0004190500000000, -0.0015580000000000 ] - [ 0.0000328100000000, 0.0001685000000000, -0.0006303400000000 ] - [ -0.0051736400000000, -0.0034607000000000, 0.0021105300000000 ] - [ -0.0005614700000000, -0.0004388200000000, -0.0006380500000000 ] - [ 0.0012942500000000, -0.0008225800000000, 0.0003169100000000 ] - [ -0.0002348300000000, -0.0001087300000000, 0.0001278600000000 ] - [ 0.0019377400000000, -0.0014205200000000, 0.0002640000000000 ] - [ 0.0003293300000000, -0.0002308700000000, 0.0000872400000000 ] - [ -0.0002679300000000, -0.0004111600000000, 0.0003957900000000 ] - [ 0.0005899300000000, -0.0002704100000000, -0.0007319100000000 ] - [ 0.0018664500000000, 0.0004351000000000, -0.0009830000000000 ] - [ 0.0000674100000000, 0.0006202800000000, 0.0002132500000000 ] - [ 0.0002780500000000, -0.0001083300000000, 0.0002480600000000 ] - [ 0.0002683000000000, -0.0005790500000000, -0.0001016900000000 ] - [ 0.0005297300000000, 0.0002625600000000, 0.0001097300000000 ] - [ 0.0002958000000000, 0.0003160900000000, 0.0003224300000000 ] - [ -0.0000484800000000, 0.0004641900000000, -0.0000929800000000 ] - [ -0.0001674800000000, 0.0001695300000000, -0.0001252500000000 ] - [ 0.0003071800000000, -0.0009810100000000, -0.0016783700000000 ] - [ -0.0008780000000000, -0.0006089300000000, -0.0003905800000000 ] - [ -0.0025607900000000, 0.0005159000000000, -0.0012922800000000 ] - [ -0.0001110400000000, -0.0000222300000000, -0.0002130700000000 ] - [ 0.0002210000000000, -0.0007612400000000, -0.0000976900000000 ] - [ -0.0003379900000000, -0.0001173900000000, -0.0000419600000000 ] - [ -0.0009859200000000, -0.0000413800000000, -0.0002475700000000 ] - [ 0.0002517800000000, -0.0000035700000000, -0.0000677300000000 ] - [ -0.0018480300000000, -0.0000495000000000, -0.0011013200000000 ] - [ -0.0007890200000000, -0.0006512200000000, -0.0003328100000000 ] - [ 0.0010386600000000, 0.0002026800000000, -0.0010686900000000 ] - [ -0.0002553300000000, -0.0000415400000000, 0.0004514000000000 ] - [ 0.0003965200000000, 0.0002014900000000, -0.0001991500000000 ] - [ 0.0002467300000000, 0.0001093800000000, 0.0000969900000000 ] - [ -0.0003873300000000, 0.0002293800000000, -0.0001359200000000 ] - [ -0.0005928400000000, 0.0001270800000000, 0.0000871100000000 ] - [ -0.0027490600000000, 0.0008766700000000, 0.0000372500000000 ] - [ -0.0003516700000000, -0.0002286800000000, -0.0002787600000000 ] - [ 0.0003569700000000, 0.0002295100000000, 0.0004831200000000 ] - [ 0.0006148800000000, 0.0001256800000000, -0.0003485900000000 ] - [ -0.0005977100000000, 0.0000282600000000, 0.0002274700000000 ] - [ -0.0004743700000000, -0.0006142200000000, -0.0006429000000000 ] - [ 0.0010335100000000, -0.0002899000000000, 0.0000570300000000 ] - [ 0.0003502000000000, 0.0000367800000000, -0.0000484200000000 ] - [ 0.0005710300000000, -0.0000367600000000, -0.0000522100000000 ] - [ 0.0003796000000000, -0.0000667000000000, -0.0000297200000000 ] - [ -0.0006444400000000, -0.0002488600000000, 0.0000707300000000 ] - [ -0.0002309900000000, -0.0000634500000000, 0.0000113100000000 ] - [ -0.0003281100000000, -0.0005148300000000, -0.0006519800000000 ] - [ 0.0000456100000000, -0.0001094800000000, -0.0000501200000000 ] - [ -0.0003104000000000, -0.0003116300000000, -0.0003103300000000 ] - [ -0.0005960600000000, -0.0011885900000000, 0.0005484300000000 ] - [ -0.0002481000000000, 0.0005511600000000, 0.0000269800000000 ] - [ -0.0000092600000000, 0.0006277900000000, -0.0001193400000000 ] - [ 0.0003010400000000, 0.0004894600000000, -0.0012418900000000 ] - [ -0.0003589900000000, -0.0002178500000000, 0.0005261500000000 ] - [ -0.0016505700000000, -0.0020603600000000, -0.0030717800000000 ] - [ 0.0000840400000000, 0.0002970700000000, -0.0002700200000000 ] - [ -0.0069327700000000, -0.0022683000000000, -0.0009723200000000 ] - [ -0.0004140500000000, 0.0001537500000000, -0.0002053500000000 ] - [ -0.0052206900000000, 0.0022688500000000, 0.0022573500000000 ] - [ -0.0001119900000000, 0.0002772200000000, 0.0001107900000000 ] - [ -0.0011708500000000, 0.0007092100000000, 0.0003015400000000 ] - [ -0.0001101700000000, -0.0000337100000000, -0.0003431300000000 ] - [ -0.0004105600000000, -0.0001933000000000, 0.0002345700000000 ] - [ -0.0000675200000000, -0.0001760900000000, -0.0001104500000000 ] - [ 0.0000959700000000, -0.0003401300000000, -0.0001852800000000 ] - [ -0.0006072100000000, -0.0003269400000000, 0.0003617800000000 ] - [ -0.0010360500000000, 0.0001710900000000, 0.0004227700000000 ] - [ 0.0000340400000000, -0.0001858300000000, -0.0001709300000000 ] - [ -0.0018102500000000, 0.0014548600000000, 0.0018821600000000 ] - [ 0.0003238400000000, 0.0000020200000000, -0.0000562600000000 ] - [ -0.0000432100000000, 0.0002221100000000, 0.0000867300000000 ] - [ -0.0002533300000000, 0.0002376000000000, 0.0001701400000000 ] - [ -0.0000544300000000, 0.0002932200000000, -0.0002312600000000 ] - [ -0.0001642200000000, 0.0002635900000000, -0.0000623600000000 ] - [ 0.0000036300000000, 0.0005185500000000, 0.0003809500000000 ] - [ -0.0000626200000000, -0.0000024700000000, 0.0001084600000000 ] - [ 0.0009178000000000, 0.0003299800000000, 0.0001950400000000 ] - [ 0.0002760400000000, 0.0000741200000000, 0.0001094900000000 ] - [ 0.0012066100000000, -0.0065800900000000, 0.0049762700000000 ] - [ 0.0008592300000000, 0.0002788500000000, -0.0000483100000000 ] - [ -0.0004668200000000, -0.0002625300000000, 0.0009867600000000 ] - [ -0.0010237400000000, -0.0006761400000000, -0.0006354300000000 ] - [ 0.0039561000000000, 0.0013955000000000, 0.0031568700000000 ] - [ 0.0004342200000000, -0.0003464700000000, 0.0002193000000000 ] - [ -0.0023940400000000, 0.0013019000000000, -0.0020325000000000 ] - [ -0.0002494600000000, -0.0002191900000000, 0.0002269800000000 ] - [ -0.0039178400000000, 0.0025894400000000, 0.0019401200000000 ] - [ 0.0000887600000000, 0.0007788200000000, -0.0000729300000000 ] - [ 0.0005769800000000, -0.0000603900000000, 0.0017349800000000 ] - [ 0.0042575300000000, 0.0036079000000000, 0.0014587100000000 ] - [ 0.0391070400000000, 0.0129675900000000, 0.0079907800000000 ] - [ 0.0003087800000000, 0.0001301000000000, 0.0005680800000000 ] - [ -0.0039521000000000, 0.0002096100000000, -0.0034669500000000 ] - [ -0.0005937600000000, 0.0002059200000000, 0.0002626500000000 ] - [ -0.0008081700000000, 0.0006188200000000, 0.0001058100000000 ] - [ -0.0001123400000000, -0.0001553100000000, -0.0005265400000000 ] - [ 0.0010082600000000, 0.0001345600000000, 0.0000832500000000 ] - [ 0.0010111900000000, -0.0010206600000000, 0.0006209200000000 ] - [ -0.0022661800000000, -0.0051497500000000, 0.0001836600000000 ] - [ 0.0002176600000000, -0.0000049100000000, -0.0000612300000000 ] - [ -0.0010256900000000, -0.0000871300000000, 0.0000260500000000 ] - [ -0.0003776600000000, -0.0000539900000000, 0.0000111600000000 ] - [ -0.0019292000000000, -0.0002297300000000, -0.0000488500000000 ] - [ -0.0004320400000000, -0.0000717900000000, -0.0000598700000000 ] - [ 0.0013940200000000, -0.0004700500000000, -0.0033259600000000 ] - [ -0.0006413600000000, 0.0000155700000000, 0.0011062000000000 ] - [ -0.0003228500000000, 0.0003252700000000, 0.0001609200000000 ] - [ 0.0000594900000000, 0.0000700900000000, 0.0000591900000000 ] - [ 0.0000027500000000, 0.0002396600000000, -0.0001899600000000 ] - [ -0.0000278400000000, 0.0000123900000000, -0.0001700900000000 ] - [ -0.0000027000000000, 0.0033238900000000, -0.0017147400000000 ] - [ -0.0002031600000000, -0.0000424400000000, 0.0002447700000000 ] - [ -0.0003848900000000, 0.0000556000000000, -0.0002806800000000 ] - [ -0.0003845000000000, 0.0000570200000000, 0.0001492200000000 ] - [ -0.0010458900000000, -0.0013955200000000, -0.0004176500000000 ] - [ -0.0000330200000000, -0.0000602900000000, -0.0002238500000000 ] - [ 0.0013706400000000, 0.0002906500000000, 0.0003456300000000 ] - [ 0.0001701000000000, -0.0002690200000000, 0.0007077500000000 ] - [ 0.0002181200000000, -0.0002783400000000, 0.0002458100000000 ] - [ 0.0001731500000000, 0.0001052600000000, 0.0003616600000000 ] - [ -0.0002796400000000, -0.0001109100000000, -0.0001757000000000 ] - [ -0.0000255500000000, 0.0000818300000000, -0.0003234400000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001113400000000, -0.0005053400000000, 0.0001352800000000 ] - [ 0.0000386600000000, -0.0002627300000000, 0.0000058100000000 ] - [ 0.0003817400000000, -0.0003812500000000, 0.0001102000000000 ] - [ 0.0001035900000000, 0.0000136500000000, 0.0001038300000000 ] - [ 0.0017322600000000, -0.0004120100000000, -0.0006682900000000 ] - [ -0.0002173300000000, 0.0000667600000000, 0.0002063500000000 ] - [ 0.0002393600000000, 0.0000564300000000, -0.0000243100000000 ] - [ 0.0003335800000000, -0.0000317700000000, 0.0000014200000000 ] - [ 0.0003336900000000, -0.0001035000000000, -0.0000462100000000 ] - [ 0.0003965600000000, -0.0000368300000000, 0.0000472700000000 ] - [ -0.0003902100000000, -0.0005802900000000, 0.0001171800000000 ] - [ -0.0003863600000000, -0.0001816100000000, 0.0001121200000000 ] - [ 0.0003987100000000, 0.0026620000000000, 0.0005343500000000 ] - [ 0.0001543700000000, 0.0003490300000000, 0.0001569400000000 ] - [ -0.0002955300000000, 0.0002843700000000, 0.0000217500000000 ] - [ -0.0001798000000000, 0.0003779800000000, -0.0000547900000000 ] - [ -0.0001997800000000, -0.0000828100000000, 0.0000206300000000 ] - [ -0.0001829400000000, -0.0001421700000000, 0.0001600100000000 ] - [ -0.0002892600000000, -0.0003663800000000, 0.0004741600000000 ] - [ -0.0000450600000000, -0.0003284200000000, -0.0005863500000000 ] - [ -0.0000911600000000, 0.0002013800000000, 0.0001048800000000 ] - [ 0.0008782300000000, 0.0005587500000000, 0.0013507000000000 ] - [ 0.0025787500000000, 0.0112885600000000, 0.0061232100000000 ] - [ 0.0001552500000000, 0.0001713700000000, 0.0001445600000000 ] - [ 0.0034635700000000, 0.0038772100000000, -0.0020645300000000 ] - [ 0.0004556400000000, 0.0009633900000000, 0.0000561600000000 ] - [ -0.0002705400000000, 0.0009589300000000, -0.0001886600000000 ] - [ -0.0001403200000000, 0.0001670300000000, 0.0002795400000000 ] - [ 0.0001840700000000, 0.0004316600000000, 0.0004204900000000 ] - [ 0.0002751300000000, -0.0001052500000000, 0.0001082900000000 ] - [ -0.0000802000000000, 0.0001292500000000, 0.0000841000000000 ] - [ 0.0002275200000000, 0.0000415200000000, -0.0005438100000000 ] - [ -0.0000361100000000, 0.0010841200000000, 0.0000789500000000 ] - [ -0.0000433600000000, 0.0007538500000000, -0.0000385000000000 ] - [ -0.0003384700000000, -0.0007564100000000, -0.0001547200000000 ] - [ -0.0000896700000000, -0.0006536800000000, 0.0001230900000000 ] - [ 0.0001784500000000, -0.0000373400000000, 0.0001183300000000 ] - [ 0.0001180700000000, -0.0000546600000000, 0.0000594600000000 ] - [ -0.0002807700000000, -0.0003448400000000, -0.0000738000000000 ] - [ -0.0002035000000000, 0.0000635000000000, -0.0000760800000000 ] - [ 0.0004558600000000, 0.0014011700000000, -0.0003126100000000 ] - [ 0.0004761600000000, 0.0011591100000000, 0.0002087400000000 ] - [ -0.0012002200000000, 0.0018813600000000, -0.0001265900000000 ] - [ 0.0000669300000000, 0.0001852700000000, 0.0000460400000000 ] - [ 0.0005425600000000, -0.0010746400000000, -0.0001454800000000 ] - [ -0.0003168400000000, -0.0000999600000000, 0.0000117900000000 ] - [ 0.0003308700000000, -0.0018677900000000, 0.0010759600000000 ] - [ 0.0003903800000000, -0.0002519400000000, -0.0001192900000000 ] - [ 0.0003364000000000, 0.0034392200000000, -0.0001069800000000 ] - [ 0.0012752400000000, 0.0009460400000000, 0.0001217600000000 ] - [ -0.0010312000000000, 0.0005406600000000, 0.0004312900000000 ] - [ -0.0010710100000000, 0.0005688300000000, -0.0007302400000000 ] - [ 0.0006620200000000, -0.0007131000000000, -0.0002299000000000 ] - [ 0.0002377200000000, -0.0001239700000000, 0.0000538500000000 ] - [ -0.0002875300000000, -0.0004042200000000, 0.0001388300000000 ] - [ -0.0004480000000000, -0.0010121900000000, 0.0003811500000000 ] - [ -0.0012400700000000, -0.0020990900000000, 0.0015665100000000 ] - [ -0.0002062000000000, -0.0000006700000000, 0.0001676400000000 ] - [ -0.0001902800000000, -0.0004762100000000, -0.0002952900000000 ] - [ -0.0001847100000000, -0.0001788700000000, 0.0002956100000000 ] - [ 0.0000444300000000, -0.0000741100000000, 0.0008504300000000 ] - [ 0.0000214500000000, -0.0002864200000000, -0.0002562400000000 ] - [ 0.0000775300000000, -0.0000504200000000, -0.0001116000000000 ] - [ 0.0001870400000000, -0.0000411400000000, -0.0001731200000000 ] - [ 0.0001299800000000, -0.0004321500000000, -0.0002669100000000 ] - [ 0.0001493300000000, -0.0002439500000000, -0.0001729500000000 ] - [ 0.0004726100000000, -0.0011864200000000, 0.0004441300000000 ] - [ -0.0001621300000000, -0.0002631300000000, 0.0002564400000000 ] - [ 0.0012551200000000, -0.0022715100000000, 0.0000523800000000 ] - [ 0.0003192200000000, -0.0002958100000000, 0.0002830100000000 ] - [ -0.0000698800000000, -0.0002836500000000, -0.0002274200000000 ] - [ -0.0001250800000000, -0.0012837500000000, 0.0005775700000000 ] - [ -0.0000379700000000, -0.0005149700000000, 0.0000066600000000 ] - [ -0.0000261900000000, 0.0004094000000000, 0.0000470900000000 ] - [ -0.0013736600000000, -0.0009153100000000, 0.0012736600000000 ] - [ 0.0001601700000000, -0.0009479200000000, -0.0006220400000000 ] - [ 0.0021466700000000, 0.0031240100000000, 0.0041631100000000 ] - [ -0.0001864200000000, 0.0005800800000000, 0.0006029400000000 ] - [ 0.0014807300000000, 0.0033036500000000, -0.0002179200000000 ] - [ -0.0002321100000000, 0.0004292000000000, -0.0000977500000000 ] - [ -0.0004862700000000, -0.0014780500000000, -0.0014789600000000 ] - [ -0.0002189100000000, -0.0001716900000000, -0.0000102000000000 ] - [ 0.0000589700000000, -0.0003272200000000, -0.0001466600000000 ] - [ 0.0001566500000000, -0.0001023200000000, -0.0001724900000000 ] - [ 0.0003643800000000, 0.0001388700000000, -0.0001982700000000 ] - [ 0.0001328700000000, 0.0000200100000000, -0.0001759500000000 ] - [ 0.0001776800000000, 0.0003484600000000, 0.0003050400000000 ] - [ 0.0001171200000000, 0.0002102100000000, -0.0001643300000000 ] - [ 0.0000562100000000, -0.0003851200000000, -0.0003652200000000 ] - [ 0.0001666400000000, -0.0003019100000000, -0.0000725400000000 ] - [ -0.0009672100000000, 0.0008886700000000, 0.0011136000000000 ] - [ -0.0005084700000000, -0.0005033400000000, -0.0002281000000000 ] - [ -0.0003026500000000, 0.0010609500000000, -0.0005756700000000 ] - [ -0.0001474400000000, 0.0005260500000000, -0.0000134100000000 ] - [ 0.0001361600000000, 0.0006003000000000, -0.0001202700000000 ] - [ 0.0001559800000000, 0.0005755000000000, -0.0000228100000000 ] - [ -0.0005230200000000, 0.0013705400000000, -0.0005437800000000 ] - [ -0.0002325800000000, 0.0003011700000000, 0.0000037400000000 ] - [ -0.0004380600000000, 0.0016216800000000, -0.0005649600000000 ] - [ 0.0002316400000000, 0.0004382900000000, -0.0000919700000000 ] - [ 0.0062925700000000, 0.0036736300000000, -0.0070634600000000 ] - [ -0.0002974400000000, -0.0004103900000000, 0.0001526100000000 ] - [ 0.0004789800000000, -0.0007212300000000, -0.0004624100000000 ] - [ 0.0011051100000000, 0.0014767700000000, 0.0011620400000000 ] - [ -0.0017354900000000, 0.0077765500000000, -0.0004692700000000 ] - [ 0.0000699700000000, -0.0003479000000000, -0.0001339700000000 ] - [ -0.0024991400000000, 0.0026160100000000, -0.0027315600000000 ] - [ -0.0002629000000000, -0.0003888600000000, 0.0000640800000000 ] - [ 0.0005601600000000, -0.0025921400000000, -0.0012624800000000 ] - [ -0.0005014700000000, -0.0004742400000000, 0.0001795600000000 ] - [ 0.0016500800000000, -0.0022043700000000, -0.0005127000000000 ] - [ -0.0030986500000000, -0.0040079000000000, -0.0010700100000000 ] - [ -0.0128021400000000, -0.0373741500000000, -0.0009232300000000 ] - [ 0.0001116100000000, -0.0002472400000000, -0.0000489900000000 ] - [ -0.0000351000000000, -0.0023531500000000, 0.0000618600000000 ] - [ -0.0000346700000000, -0.0003345200000000, -0.0002895700000000 ] - [ -0.0008652900000000, -0.0002378200000000, 0.0002184200000000 ] - [ -0.0000895300000000, -0.0000706200000000, -0.0006631400000000 ] - [ -0.0007764500000000, 0.0005920300000000, 0.0020437200000000 ] - [ 0.0003643000000000, 0.0005991000000000, -0.0010044600000000 ] - [ 0.0049715600000000, 0.0026863200000000, -0.0007155000000000 ] - [ 0.0001143400000000, -0.0001904800000000, -0.0001430200000000 ] - [ -0.0005219400000000, -0.0002884700000000, 0.0003453900000000 ] - [ -0.0000908100000000, -0.0001489000000000, 0.0002089500000000 ] - [ 0.0000291500000000, -0.0002868800000000, 0.0002319100000000 ] - [ -0.0001993700000000, -0.0004744400000000, 0.0000064700000000 ] - [ 0.0005927600000000, -0.0018539000000000, 0.0013751400000000 ] - [ 0.0008212100000000, -0.0006969700000000, -0.0006679400000000 ] - [ -0.0000805300000000, 0.0003712400000000, 0.0001867300000000 ] - [ 0.0001680200000000, 0.0002449300000000, 0.0001510600000000 ] - [ -0.0000011300000000, 0.0006896700000000, -0.0000961000000000 ] - [ -0.0002308200000000, 0.0004654400000000, -0.0001936400000000 ] - [ -0.0035746000000000, 0.0012932900000000, -0.0020551800000000 ] - [ -0.0002021500000000, -0.0000038400000000, -0.0000527100000000 ] - [ 0.0002988800000000, 0.0000392500000000, 0.0001937000000000 ] - [ 0.0002990300000000, 0.0000335700000000, 0.0002290200000000 ] - [ 0.0011828800000000, 0.0009674000000000, -0.0000116300000000 ] - [ 0.0002667400000000, 0.0001448100000000, -0.0001412100000000 ] - [ -0.0012304600000000, 0.0029465500000000, 0.0027938100000000 ] - [ -0.0002360500000000, 0.0002847700000000, -0.0004048000000000 ] - [ 0.0000543400000000, 0.0026553100000000, -0.0004202500000000 ] - [ -0.0001311500000000, 0.0003702300000000, 0.0001659000000000 ] - [ 0.0002929100000000, 0.0005194000000000, -0.0001023200000000 ] - [ 0.0000359000000000, 0.0007229200000000, -0.0001908700000000 ]- atom: 113 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001302100000000, 0.0004056400000000, -0.0001557200000000 ] - [ -0.0000243900000000, 0.0001671100000000, 0.0000068900000000 ] - [ -0.0004022800000000, 0.0004789900000000, -0.0001317200000000 ] - [ -0.0001200100000000, 0.0000861800000000, -0.0001206200000000 ] - [ -0.0024310500000000, 0.0002421500000000, 0.0006381300000000 ] - [ -0.0005062600000000, -0.0002572300000000, -0.0002522300000000 ] - [ 0.0004976900000000, -0.0002314300000000, 0.0000548400000000 ] - [ 0.0003920300000000, -0.0001291600000000, 0.0000171700000000 ] - [ 0.0004081000000000, 0.0002796500000000, 0.0000778700000000 ] - [ 0.0003335400000000, 0.0002326800000000, 0.0000004600000000 ] - [ -0.0003220800000000, 0.0007587000000000, -0.0001515900000000 ] - [ -0.0003440900000000, 0.0003546500000000, -0.0001407900000000 ] - [ 0.0000809800000000, -0.0024619900000000, -0.0005859100000000 ] - [ 0.0002861100000000, -0.0001303600000000, -0.0001969600000000 ] - [ -0.0001594200000000, -0.0000744300000000, 0.0000327800000000 ] - [ -0.0002583700000000, -0.0001546300000000, 0.0000949500000000 ] - [ -0.0002326100000000, -0.0001428900000000, 0.0000127900000000 ] - [ -0.0002483900000000, -0.0000826400000000, -0.0001266800000000 ] - [ 0.0007347300000000, 0.0001501100000000, -0.0005222400000000 ] - [ 0.0005029700000000, 0.0001204500000000, 0.0005283500000000 ] - [ -0.0002876100000000, -0.0000549200000000, 0.0002313500000000 ] - [ -0.0012497300000000, -0.0004030100000000, -0.0010050100000000 ] - [ -0.0022923700000000, -0.0115538300000000, -0.0067975200000000 ] - [ 0.0001942200000000, 0.0000036300000000, -0.0005177500000000 ] - [ -0.0031355300000000, -0.0040446300000000, 0.0018029900000000 ] - [ -0.0000900500000000, -0.0011250200000000, -0.0004046700000000 ] - [ -0.0000858400000000, -0.0011290400000000, 0.0005538200000000 ] - [ -0.0002122900000000, -0.0003421700000000, 0.0000885300000000 ] - [ 0.0002850200000000, -0.0007876400000000, -0.0001914100000000 ] - [ 0.0002139000000000, -0.0002718700000000, 0.0001278500000000 ] - [ -0.0004115900000000, -0.0005126000000000, -0.0003083500000000 ] - [ -0.0007370400000000, -0.0004410400000000, 0.0003117400000000 ] - [ 0.0000130300000000, 0.0001071400000000, -0.0000594600000000 ] - [ 0.0000550700000000, 0.0004366500000000, 0.0000319900000000 ] - [ 0.0003266100000000, -0.0004358400000000, 0.0001665100000000 ] - [ 0.0000806000000000, -0.0005419900000000, -0.0001185700000000 ] - [ 0.0003190500000000, 0.0004259800000000, 0.0001095400000000 ] - [ 0.0003586100000000, 0.0004185400000000, 0.0001708100000000 ] - [ -0.0002296800000000, 0.0007459300000000, -0.0001588600000000 ] - [ -0.0002906100000000, 0.0003215900000000, -0.0001635800000000 ] - [ -0.0004678400000000, -0.0015090300000000, 0.0003030700000000 ] - [ -0.0004914700000000, -0.0012561500000000, -0.0002254000000000 ] - [ 0.0013174700000000, -0.0019066800000000, 0.0002145800000000 ] - [ -0.0000429400000000, -0.0000864700000000, -0.0000220600000000 ] - [ -0.0012558900000000, 0.0008999400000000, 0.0001189700000000 ] - [ -0.0004122100000000, -0.0000570300000000, -0.0000265900000000 ] - [ 0.0004035500000000, 0.0016779300000000, -0.0010364000000000 ] - [ 0.0003323800000000, 0.0000488500000000, 0.0001772400000000 ] - [ 0.0004176000000000, -0.0032383800000000, 0.0001313500000000 ] - [ -0.0005364900000000, -0.0007664200000000, -0.0000863700000000 ] - [ 0.0003204400000000, -0.0003658100000000, -0.0004623000000000 ] - [ 0.0003656700000000, -0.0003918100000000, 0.0007004600000000 ] - [ -0.0002117100000000, 0.0009236800000000, 0.0001740800000000 ] - [ 0.0002189800000000, 0.0003348800000000, -0.0001082200000000 ] - [ -0.0001420500000000, 0.0006294600000000, -0.0001027600000000 ] - [ 0.0000280300000000, 0.0012427900000000, -0.0003603600000000 ] - [ 0.0008169200000000, 0.0020276400000000, -0.0015482200000000 ] - [ -0.0002281700000000, -0.0002243800000000, -0.0001337600000000 ] - [ 0.0006472000000000, 0.0002703300000000, 0.0002375500000000 ] - [ 0.0006458300000000, -0.0000232200000000, -0.0003576300000000 ] - [ -0.0003957400000000, 0.0002455700000000, -0.0004759800000000 ] - [ -0.0003663600000000, 0.0004624000000000, 0.0006291000000000 ] - [ 0.0002969100000000, 0.0002025400000000, -0.0002276400000000 ] - [ 0.0001895600000000, 0.0001916100000000, -0.0001617700000000 ] - [ 0.0002293000000000, 0.0002649100000000, -0.0000959300000000 ] - [ 0.0002270100000000, 0.0000930200000000, -0.0001656600000000 ] - [ -0.0008181700000000, 0.0010102000000000, -0.0000720200000000 ] - [ -0.0002153100000000, 0.0001161900000000, 0.0000772900000000 ] - [ -0.0007795300000000, 0.0019070200000000, 0.0001705700000000 ] - [ 0.0001797900000000, -0.0000940000000000, -0.0000614200000000 ] - [ -0.0004218900000000, -0.0000960300000000, -0.0000179100000000 ] - [ -0.0003853100000000, 0.0008834700000000, -0.0008166100000000 ] - [ 0.0000137600000000, 0.0017063400000000, 0.0000069800000000 ] - [ 0.0000099300000000, 0.0007842500000000, -0.0000347700000000 ] - [ 0.0013445900000000, -0.0002761400000000, -0.0012483500000000 ] - [ -0.0001766300000000, -0.0002312900000000, 0.0006402700000000 ] - [ -0.0016176400000000, -0.0027295800000000, -0.0038388700000000 ] - [ 0.0006669100000000, -0.0002111500000000, -0.0003762100000000 ] - [ -0.0019557900000000, -0.0028974000000000, -0.0000257000000000 ] - [ -0.0002760000000000, -0.0000306400000000, -0.0001351500000000 ] - [ 0.0001691100000000, 0.0016695600000000, 0.0016220400000000 ] - [ -0.0001028300000000, 0.0003856600000000, 0.0001556700000000 ] - [ 0.0002765500000000, 0.0005364900000000, 0.0000024100000000 ] - [ 0.0001803500000000, 0.0003133500000000, 0.0000253400000000 ] - [ -0.0000308900000000, -0.0003500000000000, 0.0000574100000000 ] - [ 0.0001867400000000, -0.0002360100000000, 0.0000333100000000 ] - [ -0.0005107000000000, -0.0005629800000000, -0.0001479800000000 ] - [ -0.0004534700000000, -0.0004225000000000, 0.0003139300000000 ] - [ 0.0002797800000000, -0.0001816700000000, 0.0002840500000000 ] - [ 0.0001629900000000, -0.0002653900000000, -0.0000062600000000 ] - [ 0.0006388500000000, -0.0014514600000000, -0.0010359600000000 ] - [ 0.0001776900000000, -0.0000699400000000, 0.0003107100000000 ] - [ -0.0000244000000000, -0.0004934800000000, 0.0006513700000000 ] - [ -0.0001859400000000, 0.0000374300000000, 0.0000877600000000 ] - [ 0.0001963400000000, -0.0000323300000000, 0.0000387800000000 ] - [ 0.0001787000000000, -0.0000029300000000, -0.0000593100000000 ] - [ 0.0001937500000000, -0.0011526600000000, 0.0007086600000000 ] - [ -0.0001059700000000, -0.0000873600000000, 0.0001442200000000 ] - [ 0.0007694300000000, -0.0014072700000000, 0.0004316000000000 ] - [ 0.0000940200000000, -0.0002222700000000, -0.0000539700000000 ] - [ -0.0058850300000000, -0.0038623100000000, 0.0068326500000000 ] - [ 0.0006358000000000, 0.0001980000000000, -0.0002985000000000 ] - [ -0.0008092800000000, 0.0004994800000000, 0.0006152200000000 ] - [ -0.0014577400000000, -0.0017056400000000, -0.0010115700000000 ] - [ 0.0020983900000000, -0.0084525400000000, 0.0003770400000000 ] - [ 0.0002662700000000, -0.0002177500000000, 0.0000517400000000 ] - [ 0.0021691700000000, -0.0032029300000000, 0.0027940600000000 ] - [ -0.0000684100000000, -0.0001740900000000, 0.0000088300000000 ] - [ -0.0008907100000000, 0.0031602900000000, 0.0013394800000000 ] - [ 0.0001743500000000, 0.0010391100000000, -0.0001028200000000 ] - [ -0.0013211700000000, 0.0027795000000000, 0.0004334300000000 ] - [ 0.0034274800000000, 0.0045761000000000, 0.0009697100000000 ] - [ 0.0130200400000000, 0.0378919000000000, 0.0014626000000000 ] - [ 0.0002378900000000, 0.0003409600000000, 0.0003895300000000 ] - [ -0.0003212100000000, 0.0024610100000000, -0.0004130500000000 ] - [ -0.0003082000000000, 0.0004333200000000, -0.0000559800000000 ] - [ 0.0005159400000000, 0.0001390700000000, -0.0005599800000000 ] - [ -0.0002592100000000, -0.0000274800000000, 0.0003277300000000 ] - [ 0.0011195600000000, -0.0006923500000000, -0.0017109200000000 ] - [ -0.0000266000000000, -0.0006894400000000, 0.0013544400000000 ] - [ -0.0046857600000000, -0.0027639100000000, 0.0003664200000000 ] - [ 0.0002175100000000, 0.0001274100000000, -0.0002000900000000 ] - [ 0.0001960400000000, 0.0002232700000000, 0.0000001400000000 ] - [ -0.0002432400000000, 0.0000843700000000, 0.0001375900000000 ] - [ -0.0003587600000000, 0.0003627300000000, 0.0001147800000000 ] - [ -0.0001333400000000, 0.0005495000000000, 0.0003428000000000 ] - [ -0.0002707200000000, 0.0019352900000000, -0.0017091500000000 ] - [ -0.0004955300000000, 0.0007568800000000, 0.0003192500000000 ] - [ 0.0004259800000000, -0.0002730200000000, 0.0001594500000000 ] - [ 0.0001742800000000, -0.0001446400000000, 0.0001987100000000 ] - [ -0.0003470800000000, -0.0005869400000000, -0.0002502800000000 ] - [ -0.0001212800000000, -0.0003656800000000, -0.0001439200000000 ] - [ 0.0031993300000000, -0.0013824200000000, 0.0016904600000000 ] - [ -0.0001474200000000, -0.0001034300000000, -0.0002964500000000 ] - [ 0.0000478400000000, -0.0001409300000000, 0.0001492200000000 ] - [ 0.0000497300000000, -0.0001367900000000, 0.0001053500000000 ] - [ -0.0008587400000000, -0.0010347300000000, -0.0003320300000000 ] - [ 0.0000540700000000, -0.0002153900000000, -0.0002045500000000 ] - [ 0.0008822400000000, -0.0029948700000000, -0.0024209600000000 ] - [ -0.0000989200000000, -0.0003583300000000, 0.0007524200000000 ] - [ -0.0003892000000000, -0.0025770600000000, 0.0007644300000000 ] - [ -0.0001861600000000, -0.0003029700000000, 0.0001813800000000 ] - [ 0.0000335400000000, -0.0004573900000000, -0.0002481700000000 ] - [ 0.0002926900000000, -0.0006582100000000, -0.0001513600000000 ]- atom: 113 displacement: [ -0.0026967483687124, 0.0000000000000000, 0.0096295144340640 ] forces: - [ -0.0001301700000000, -0.0000469600000000, -0.0000016000000000 ] - [ -0.0000013300000000, -0.0000778100000000, -0.0000993600000000 ] - [ 0.0006150400000000, -0.0003803500000000, 0.0004153500000000 ] - [ -0.0002465200000000, 0.0000932900000000, -0.0003172400000000 ] - [ 0.0011033000000000, -0.0006252600000000, 0.0000240200000000 ] - [ -0.0005984900000000, -0.0002220800000000, -0.0006428100000000 ] - [ 0.0006188500000000, -0.0002164100000000, 0.0003216200000000 ] - [ 0.0002080500000000, 0.0000042000000000, -0.0002990400000000 ] - [ 0.0003520800000000, 0.0000586600000000, 0.0000575600000000 ] - [ 0.0003646100000000, 0.0000869300000000, -0.0000637500000000 ] - [ -0.0006386300000000, -0.0001663800000000, 0.0000968000000000 ] - [ -0.0002523400000000, 0.0002577900000000, -0.0002329700000000 ] - [ 0.0009844800000000, 0.0004756100000000, 0.0038598700000000 ] - [ 0.0005612000000000, 0.0000167600000000, -0.0008412100000000 ] - [ -0.0001931200000000, 0.0000763400000000, -0.0001568900000000 ] - [ -0.0003829200000000, 0.0001657800000000, 0.0002325800000000 ] - [ -0.0001379900000000, -0.0001510800000000, 0.0001930600000000 ] - [ -0.0002749300000000, -0.0000643800000000, -0.0001696400000000 ] - [ 0.0008593200000000, 0.0004911700000000, -0.0002049800000000 ] - [ 0.0000103600000000, -0.0004424500000000, -0.0003275800000000 ] - [ 0.0001110700000000, -0.0000590900000000, -0.0001755500000000 ] - [ -0.0002896100000000, 0.0002269100000000, 0.0004207300000000 ] - [ 0.0017087800000000, 0.0050177500000000, 0.0069156200000000 ] - [ 0.0002884800000000, 0.0003073300000000, -0.0011386300000000 ] - [ -0.0044409900000000, -0.0038272700000000, 0.0061672400000000 ] - [ -0.0000080100000000, -0.0009282700000000, -0.0019113000000000 ] - [ 0.0004132400000000, -0.0005660700000000, 0.0011249500000000 ] - [ -0.0005970300000000, 0.0001293100000000, -0.0006724700000000 ] - [ 0.0002203300000000, 0.0000296700000000, 0.0007139600000000 ] - [ 0.0001184500000000, -0.0001719200000000, -0.0002483600000000 ] - [ -0.0006258500000000, -0.0001514100000000, -0.0004169500000000 ] - [ 0.0002371800000000, -0.0002466800000000, -0.0001544300000000 ] - [ 0.0000281900000000, 0.0007368000000000, 0.0007628000000000 ] - [ -0.0001189500000000, 0.0006131800000000, -0.0004921800000000 ] - [ -0.0001980400000000, -0.0007194100000000, 0.0001698700000000 ] - [ 0.0001705300000000, -0.0005200400000000, -0.0002173500000000 ] - [ 0.0004730500000000, 0.0003662100000000, 0.0001363700000000 ] - [ 0.0000808500000000, 0.0001129400000000, -0.0000055100000000 ] - [ -0.0002825500000000, 0.0002019600000000, 0.0000906800000000 ] - [ -0.0002790200000000, 0.0002152400000000, -0.0003508000000000 ] - [ 0.0018111800000000, -0.0010559200000000, -0.0006380500000000 ] - [ -0.0011498800000000, 0.0004958200000000, -0.0018224700000000 ] - [ 0.0012128800000000, -0.0001999400000000, 0.0012366200000000 ] - [ -0.0000656300000000, -0.0000171900000000, -0.0004834600000000 ] - [ -0.0006586000000000, 0.0003772800000000, 0.0003726000000000 ] - [ -0.0003363500000000, -0.0001842200000000, -0.0003257600000000 ] - [ 0.0004133900000000, -0.0003129100000000, 0.0011551900000000 ] - [ 0.0004964000000000, -0.0000432400000000, -0.0004522500000000 ] - [ 0.0016246600000000, -0.0011120100000000, 0.0048714500000000 ] - [ 0.0008805100000000, -0.0008702200000000, -0.0019257800000000 ] - [ 0.0003604600000000, 0.0001843800000000, -0.0001493700000000 ] - [ -0.0014678500000000, 0.0003092500000000, -0.0009271700000000 ] - [ 0.0004412300000000, 0.0002062100000000, 0.0002625000000000 ] - [ 0.0001838700000000, 0.0000159000000000, -0.0002653300000000 ] - [ -0.0001567900000000, 0.0002039300000000, -0.0002525500000000 ] - [ -0.0003410200000000, -0.0001600500000000, 0.0003981400000000 ] - [ -0.0009982400000000, 0.0012685800000000, 0.0027629000000000 ] - [ 0.0001722900000000, -0.0005573500000000, -0.0009960400000000 ] - [ -0.0011980100000000, -0.0010346800000000, 0.0006143700000000 ] - [ 0.0007485100000000, 0.0001231000000000, -0.0004978100000000 ] - [ -0.0005101600000000, 0.0004551800000000, -0.0001563100000000 ] - [ -0.0000361200000000, -0.0002310700000000, -0.0000074400000000 ] - [ 0.0003972100000000, 0.0001180500000000, 0.0001178000000000 ] - [ 0.0000249500000000, 0.0000567000000000, -0.0004741200000000 ] - [ 0.0001124700000000, -0.0001713200000000, -0.0000224800000000 ] - [ 0.0001786200000000, -0.0000891200000000, -0.0003517000000000 ] - [ -0.0003710200000000, -0.0000180600000000, 0.0005996200000000 ] - [ -0.0001460800000000, -0.0000544100000000, -0.0002044000000000 ] - [ 0.0008859600000000, -0.0006511200000000, 0.0011213600000000 ] - [ 0.0001349500000000, 0.0000236300000000, -0.0004209600000000 ] - [ -0.0001224600000000, -0.0003426600000000, -0.0004039300000000 ] - [ -0.0003488000000000, -0.0000360100000000, 0.0001742900000000 ] - [ -0.0001223300000000, 0.0006530400000000, 0.0004499800000000 ] - [ 0.0001563200000000, 0.0006116200000000, -0.0003816100000000 ] - [ 0.0012977200000000, 0.0006047500000000, -0.0003959800000000 ] - [ 0.0001125800000000, -0.0015914200000000, -0.0011643000000000 ] - [ 0.0028791200000000, 0.0040492400000000, 0.0080822700000000 ] - [ 0.0013855300000000, 0.0004675100000000, -0.0010768900000000 ] - [ -0.0019097800000000, -0.0008551800000000, 0.0018546800000000 ] - [ -0.0003429800000000, 0.0001021900000000, -0.0009654600000000 ] - [ -0.0007960400000000, -0.0013241900000000, -0.0022809200000000 ] - [ -0.0001379800000000, 0.0003854100000000, 0.0006994800000000 ] - [ -0.0001504600000000, 0.0000172100000000, -0.0004790100000000 ] - [ 0.0004362000000000, 0.0001573900000000, 0.0002862000000000 ] - [ 0.0002046900000000, 0.0000498800000000, -0.0002164200000000 ] - [ 0.0001585300000000, -0.0002367200000000, 0.0000932600000000 ] - [ 0.0002441300000000, 0.0000892200000000, 0.0001269100000000 ] - [ -0.0005683400000000, -0.0003304100000000, 0.0005837500000000 ] - [ -0.0001574700000000, -0.0004314200000000, -0.0006022400000000 ] - [ 0.0003290200000000, -0.0002380900000000, 0.0003048600000000 ] - [ -0.0009643900000000, 0.0006426100000000, 0.0009238900000000 ] - [ 0.0001851000000000, -0.0004199400000000, 0.0004893700000000 ] - [ 0.0000085800000000, 0.0003929300000000, -0.0002181500000000 ] - [ -0.0002410800000000, 0.0002215000000000, 0.0003066800000000 ] - [ 0.0002541500000000, 0.0003164200000000, -0.0000064600000000 ] - [ 0.0000918300000000, 0.0002296600000000, 0.0001343200000000 ] - [ -0.0003998700000000, 0.0001430300000000, -0.0006971100000000 ] - [ -0.0001123700000000, -0.0000317100000000, 0.0004560100000000 ] - [ 0.0001571800000000, 0.0000786100000000, -0.0005320200000000 ] - [ 0.0000393100000000, 0.0001680900000000, 0.0003181800000000 ] - [ -0.0045135100000000, -0.0087101200000000, 0.0005380400000000 ] - [ 0.0004894100000000, 0.0005146600000000, 0.0013034300000000 ] - [ -0.0011779400000000, -0.0002516900000000, 0.0003590400000000 ] - [ 0.0027150500000000, 0.0025336400000000, 0.0029846800000000 ] - [ -0.0020771300000000, 0.0009220800000000, -0.0042993300000000 ] - [ 0.0002134900000000, -0.0004305700000000, 0.0006946400000000 ] - [ 0.0000379800000000, -0.0005539300000000, 0.0005681300000000 ] - [ -0.0003020800000000, -0.0001991400000000, 0.0005194300000000 ] - [ -0.0028415400000000, 0.0004347100000000, -0.0001801900000000 ] - [ 0.0003559600000000, 0.0008212300000000, 0.0013232000000000 ] - [ -0.0022381800000000, 0.0023154800000000, 0.0037528900000000 ] - [ 0.0002612800000000, 0.0003903300000000, 0.0073730400000000 ] - [ 0.0030253000000000, 0.0023528000000000, -0.0415797800000000 ] - [ -0.0001613700000000, -0.0001336900000000, 0.0017797700000000 ] - [ 0.0019834000000000, -0.0001356900000000, -0.0016172300000000 ] - [ -0.0007058800000000, 0.0002073400000000, 0.0006671800000000 ] - [ -0.0006184400000000, 0.0004975800000000, -0.0005968500000000 ] - [ 0.0001839400000000, -0.0005671500000000, 0.0000741100000000 ] - [ -0.0000296200000000, 0.0011277100000000, 0.0010429500000000 ] - [ 0.0004938300000000, -0.0021256300000000, 0.0011894500000000 ] - [ -0.0002949600000000, -0.0012897200000000, -0.0030325500000000 ] - [ 0.0002050700000000, 0.0000848800000000, 0.0006421700000000 ] - [ -0.0002753700000000, 0.0000538300000000, -0.0002479900000000 ] - [ -0.0000225000000000, -0.0000911400000000, 0.0006007100000000 ] - [ -0.0004560400000000, 0.0000485400000000, -0.0000090600000000 ] - [ 0.0002685000000000, -0.0001317200000000, 0.0004123100000000 ] - [ 0.0029500700000000, 0.0009912600000000, 0.0025469600000000 ] - [ -0.0018390000000000, 0.0002425200000000, 0.0011197300000000 ] - [ 0.0000529400000000, 0.0001415200000000, -0.0002776300000000 ] - [ 0.0002581800000000, 0.0000335500000000, 0.0004764300000000 ] - [ -0.0001118200000000, 0.0000295700000000, -0.0005510000000000 ] - [ -0.0001394400000000, 0.0000709200000000, 0.0002328600000000 ] - [ 0.0013502500000000, -0.0009538300000000, -0.0007815200000000 ] - [ -0.0005853900000000, 0.0000661800000000, 0.0003111600000000 ] - [ 0.0000525300000000, -0.0000870800000000, 0.0001717500000000 ] - [ 0.0004630700000000, -0.0000469000000000, 0.0002838200000000 ] - [ -0.0003847100000000, -0.0006610400000000, -0.0012015900000000 ] - [ 0.0003383000000000, 0.0001037900000000, 0.0006024600000000 ] - [ -0.0004736100000000, 0.0024259400000000, -0.0006109800000000 ] - [ -0.0002284100000000, -0.0008343000000000, 0.0014693400000000 ] - [ -0.0000770200000000, -0.0004247500000000, 0.0001220100000000 ] - [ -0.0002637500000000, 0.0002911500000000, 0.0004417900000000 ] - [ -0.0001255400000000, -0.0002007400000000, -0.0000233900000000 ] - [ 0.0002043000000000, 0.0004093800000000, -0.0001596000000000 ]- atom: 113 displacement: [ 0.0026967483687124, 0.0000000000000000, -0.0096295144340640 ] forces: - [ 0.0001370100000000, -0.0000496900000000, 0.0000098200000000 ] - [ -0.0000039500000000, -0.0000224000000000, 0.0000930100000000 ] - [ -0.0006051500000000, 0.0004779300000000, -0.0004042200000000 ] - [ 0.0002503600000000, 0.0000064300000000, 0.0003215600000000 ] - [ -0.0018388300000000, 0.0004480500000000, -0.0000488600000000 ] - [ -0.0001334400000000, 0.0000415600000000, 0.0006111800000000 ] - [ 0.0001076600000000, 0.0000308100000000, -0.0002824300000000 ] - [ 0.0005211400000000, -0.0001942200000000, 0.0003403800000000 ] - [ 0.0003767900000000, 0.0001296600000000, -0.0000176300000000 ] - [ 0.0003700500000000, 0.0000928800000000, 0.0000952100000000 ] - [ -0.0000977400000000, 0.0003365800000000, -0.0001215900000000 ] - [ -0.0004742400000000, -0.0000670700000000, 0.0001912800000000 ] - [ -0.0005295500000000, -0.0002605000000000, -0.0038623500000000 ] - [ -0.0001078700000000, 0.0001899100000000, 0.0007994200000000 ] - [ -0.0002526300000000, 0.0001347800000000, 0.0001915300000000 ] - [ -0.0000684800000000, 0.0000427000000000, -0.0001900300000000 ] - [ -0.0003078600000000, -0.0000614900000000, -0.0001571800000000 ] - [ -0.0001745500000000, -0.0001437200000000, 0.0002109700000000 ] - [ -0.0004097900000000, -0.0006976100000000, 0.0001661400000000 ] - [ 0.0004444300000000, 0.0002393300000000, 0.0002799200000000 ] - [ -0.0004796500000000, 0.0002166800000000, 0.0005201300000000 ] - [ -0.0000619800000000, -0.0000574000000000, -0.0000579200000000 ] - [ -0.0013945200000000, -0.0050029500000000, -0.0073388600000000 ] - [ 0.0000668200000000, -0.0001381500000000, 0.0007808900000000 ] - [ 0.0045770600000000, 0.0034602500000000, -0.0061879500000000 ] - [ 0.0003629700000000, 0.0007635900000000, 0.0015581200000000 ] - [ -0.0007767800000000, 0.0004051000000000, -0.0007798200000000 ] - [ 0.0002372400000000, -0.0002942700000000, 0.0010242600000000 ] - [ 0.0002716700000000, -0.0004191300000000, -0.0004718100000000 ] - [ 0.0003754500000000, -0.0002219500000000, 0.0004841900000000 ] - [ 0.0001371500000000, -0.0002380700000000, 0.0001716000000000 ] - [ -0.0007210100000000, -0.0001356100000000, -0.0000865400000000 ] - [ -0.0000259800000000, 0.0004743400000000, -0.0007603000000000 ] - [ 0.0001157300000000, 0.0005964600000000, 0.0004960000000000 ] - [ 0.0001903200000000, -0.0004893900000000, -0.0001652200000000 ] - [ -0.0001663600000000, -0.0006902500000000, 0.0002154000000000 ] - [ 0.0000164600000000, 0.0000226600000000, 0.0001075300000000 ] - [ 0.0004080500000000, 0.0002765100000000, 0.0002377900000000 ] - [ -0.0002055900000000, 0.0001826900000000, -0.0003378100000000 ] - [ -0.0002166400000000, 0.0001806800000000, 0.0001151900000000 ] - [ -0.0018229300000000, 0.0009655500000000, 0.0006508700000000 ] - [ 0.0011424100000000, -0.0005875100000000, 0.0018124900000000 ] - [ -0.0012163200000000, 0.0002973100000000, -0.0012359200000000 ] - [ 0.0000735000000000, 0.0001124500000000, 0.0004912800000000 ] - [ -0.0000667900000000, -0.0005675100000000, -0.0004106000000000 ] - [ -0.0004021600000000, 0.0000104500000000, 0.0002979700000000 ] - [ 0.0003168600000000, 0.0001338000000000, -0.0011214500000000 ] - [ 0.0002321700000000, -0.0001394100000000, 0.0004873400000000 ] - [ -0.0008604000000000, 0.0014107300000000, -0.0051689200000000 ] - [ -0.0001425000000000, 0.0010469700000000, 0.0019497300000000 ] - [ -0.0010933100000000, -0.0000106700000000, 0.0001148400000000 ] - [ 0.0007380600000000, -0.0001342100000000, 0.0008990800000000 ] - [ 0.0000076900000000, 0.0000035500000000, -0.0003023300000000 ] - [ 0.0002656100000000, 0.0001930000000000, 0.0002259400000000 ] - [ -0.0002912000000000, 0.0000051400000000, 0.0002911400000000 ] - [ -0.0001075800000000, 0.0003688400000000, -0.0003596400000000 ] - [ 0.0005583200000000, -0.0014544400000000, -0.0027408900000000 ] - [ -0.0006179700000000, 0.0003427900000000, 0.0010321000000000 ] - [ 0.0016408900000000, 0.0008202900000000, -0.0006554800000000 ] - [ -0.0002992700000000, -0.0003311300000000, 0.0004548700000000 ] - [ 0.0001522000000000, -0.0002950800000000, 0.0005065800000000 ] - [ -0.0003225800000000, 0.0003918000000000, 0.0003599600000000 ] - [ -0.0000459300000000, 0.0000530200000000, -0.0004772300000000 ] - [ 0.0003289100000000, 0.0001111700000000, 0.0001162700000000 ] - [ 0.0002470800000000, 0.0000085600000000, -0.0003268000000000 ] - [ 0.0001749100000000, -0.0000790800000000, -0.0000071900000000 ] - [ 0.0000065300000000, -0.0001403800000000, -0.0002500800000000 ] - [ -0.0002057200000000, -0.0001158300000000, 0.0005643300000000 ] - [ -0.0003959500000000, 0.0002625200000000, -0.0008782300000000 ] - [ 0.0003551800000000, -0.0004125400000000, 0.0006574500000000 ] - [ -0.0003600500000000, -0.0000375000000000, 0.0001582500000000 ] - [ -0.0001464600000000, -0.0003606400000000, -0.0004079300000000 ] - [ 0.0001215900000000, 0.0005579000000000, -0.0004480900000000 ] - [ -0.0001563800000000, 0.0005962500000000, 0.0003812500000000 ] - [ -0.0013101400000000, -0.0018230700000000, 0.0003966900000000 ] - [ -0.0001211400000000, 0.0003875600000000, 0.0011719700000000 ] - [ -0.0022406100000000, -0.0034898000000000, -0.0075834000000000 ] - [ -0.0008947300000000, -0.0000807500000000, 0.0013146200000000 ] - [ 0.0014729800000000, 0.0012652100000000, -0.0021037200000000 ] - [ -0.0001492300000000, 0.0002849000000000, 0.0007202600000000 ] - [ 0.0004819700000000, 0.0015129700000000, 0.0023906600000000 ] - [ -0.0001803800000000, -0.0001802100000000, -0.0005647600000000 ] - [ 0.0004668000000000, 0.0001829100000000, 0.0003408600000000 ] - [ -0.0001200200000000, 0.0000431800000000, -0.0004161600000000 ] - [ 0.0001181900000000, -0.0002485800000000, 0.0000803100000000 ] - [ 0.0001623700000000, 0.0000361900000000, -0.0002279000000000 ] - [ -0.0005631700000000, -0.0002903800000000, 0.0000118900000000 ] - [ 0.0002553100000000, 0.0001303700000000, -0.0004497600000000 ] - [ 0.0004742100000000, -0.0001365200000000, 0.0005036100000000 ] - [ -0.0000113100000000, -0.0003252600000000, -0.0003998600000000 ] - [ 0.0006451200000000, -0.0012040400000000, -0.0008272600000000 ] - [ -0.0005020200000000, -0.0001393700000000, -0.0003931300000000 ] - [ -0.0003208300000000, 0.0001673600000000, 0.0003138300000000 ] - [ -0.0000784100000000, 0.0003436200000000, -0.0002105000000000 ] - [ 0.0000641800000000, 0.0002476300000000, -0.0000884200000000 ] - [ 0.0002231500000000, 0.0003292100000000, -0.0002284700000000 ] - [ 0.0000858200000000, 0.0000608400000000, 0.0008295000000000 ] - [ -0.0002025300000000, 0.0002304800000000, -0.0003238900000000 ] - [ 0.0001684500000000, 0.0001228500000000, 0.0003973200000000 ] - [ 0.0002804000000000, 0.0000301600000000, -0.0004525800000000 ] - [ 0.0048789200000000, 0.0085915300000000, -0.0006509100000000 ] - [ -0.0001608000000000, -0.0007067400000000, -0.0014361300000000 ] - [ 0.0008656400000000, 0.0000512100000000, -0.0002249000000000 ] - [ -0.0030373800000000, -0.0027305600000000, -0.0028268300000000 ] - [ 0.0023963100000000, -0.0014602800000000, 0.0042083400000000 ] - [ 0.0001027700000000, -0.0001351100000000, -0.0007883900000000 ] - [ -0.0003645300000000, -0.0000019600000000, -0.0004859500000000 ] - [ -0.0000116800000000, -0.0003637400000000, -0.0004218300000000 ] - [ 0.0025316900000000, 0.0001461200000000, 0.0002934600000000 ] - [ -0.0006666300000000, -0.0002533900000000, -0.0012234600000000 ] - [ 0.0025618800000000, -0.0017495900000000, -0.0038813600000000 ] - [ 0.0000451700000000, 0.0001634500000000, -0.0073738900000000 ] - [ -0.0026589000000000, -0.0023141300000000, 0.0416130900000000 ] - [ 0.0005095700000000, 0.0002564400000000, -0.0014467000000000 ] - [ -0.0023370500000000, 0.0002548700000000, 0.0012689200000000 ] - [ 0.0003517600000000, -0.0000838300000000, -0.0010020700000000 ] - [ 0.0002595300000000, -0.0006252800000000, 0.0002631800000000 ] - [ -0.0005347500000000, 0.0004408300000000, -0.0004051400000000 ] - [ 0.0003734600000000, -0.0012544400000000, -0.0007007300000000 ] - [ -0.0001419000000000, 0.0019931500000000, -0.0008469900000000 ] - [ 0.0005780900000000, 0.0012315300000000, 0.0026576900000000 ] - [ 0.0000641400000000, -0.0001541000000000, -0.0009913600000000 ] - [ 0.0000094400000000, -0.0001167400000000, 0.0006114000000000 ] - [ -0.0002491000000000, 0.0000254600000000, -0.0002376900000000 ] - [ 0.0001880900000000, 0.0000189400000000, 0.0003668800000000 ] - [ -0.0005393900000000, 0.0001952300000000, -0.0000595200000000 ] - [ -0.0027025400000000, -0.0009349200000000, -0.0029205300000000 ] - [ 0.0021021300000000, -0.0001804000000000, -0.0014702600000000 ] - [ 0.0002958600000000, -0.0000165000000000, 0.0006103200000000 ] - [ 0.0000889400000000, 0.0000950400000000, -0.0001378800000000 ] - [ -0.0002450400000000, 0.0000955600000000, 0.0002120200000000 ] - [ -0.0002215500000000, 0.0000499100000000, -0.0005575900000000 ] - [ -0.0016999600000000, 0.0008321000000000, 0.0004511400000000 ] - [ 0.0002369900000000, -0.0001960400000000, -0.0006523400000000 ] - [ 0.0002997500000000, -0.0000416100000000, 0.0001622600000000 ] - [ -0.0001008900000000, -0.0000730200000000, 0.0000419300000000 ] - [ 0.0006519500000000, 0.0005913400000000, 0.0008427900000000 ] - [ -0.0000709200000000, -0.0001671100000000, -0.0009581400000000 ] - [ 0.0001991300000000, -0.0024828200000000, 0.0009622300000000 ] - [ -0.0000463500000000, 0.0007706200000000, -0.0011086200000000 ] - [ -0.0001967400000000, 0.0004895400000000, 0.0002416100000000 ] - [ 0.0000009000000000, -0.0002266600000000, -0.0000832100000000 ] - [ 0.0003969200000000, 0.0002668600000000, -0.0003317000000000 ] - [ 0.0000704600000000, -0.0003400700000000, -0.0001967600000000 ]- atom: 121 displacement: [ 0.0099999386121055, 0.0000000000000000, -0.0000350393225009 ] forces: - [ 0.0003359500000000, -0.0007384100000000, -0.0004394500000000 ] - [ -0.0000571600000000, -0.0002244900000000, 0.0001276900000000 ] - [ 0.0001763700000000, -0.0001809000000000, 0.0000892200000000 ] - [ 0.0000737300000000, -0.0000437400000000, 0.0000267600000000 ] - [ 0.0003880400000000, -0.0000115100000000, -0.0001388400000000 ] - [ -0.0002505200000000, -0.0001033900000000, 0.0000669000000000 ] - [ -0.0002806600000000, 0.0005703300000000, -0.0000946500000000 ] - [ 0.0003781600000000, -0.0000612600000000, -0.0000742100000000 ] - [ -0.0004047400000000, -0.0008822900000000, -0.0008217800000000 ] - [ -0.0000050000000000, 0.0000264200000000, 0.0000979700000000 ] - [ 0.0012815800000000, 0.0003912800000000, 0.0002743700000000 ] - [ -0.0003610500000000, -0.0006824400000000, 0.0006731300000000 ] - [ 0.0031391400000000, 0.0005743200000000, -0.0009007600000000 ] - [ 0.0003560500000000, 0.0001195400000000, 0.0000738700000000 ] - [ -0.0002223400000000, 0.0004420300000000, -0.0003250300000000 ] - [ -0.0009917900000000, 0.0002002000000000, 0.0005415800000000 ] - [ -0.0035820100000000, -0.0009750000000000, -0.0006210200000000 ] - [ -0.0004561900000000, -0.0000352500000000, -0.0000214000000000 ] - [ 0.0019702900000000, 0.0007048600000000, -0.0025992700000000 ] - [ 0.0013659900000000, 0.0001034300000000, 0.0000906800000000 ] - [ -0.0006516000000000, 0.0000386600000000, -0.0001808000000000 ] - [ -0.0010888600000000, -0.0001160300000000, -0.0002630800000000 ] - [ 0.0116631200000000, 0.0026469200000000, -0.0068849700000000 ] - [ 0.0005700700000000, 0.0000509000000000, -0.0001343000000000 ] - [ 0.0011414500000000, 0.0000687000000000, -0.0009777300000000 ] - [ 0.0001659400000000, -0.0002204800000000, 0.0003022300000000 ] - [ -0.0010778500000000, 0.0001813200000000, 0.0000974600000000 ] - [ -0.0005132000000000, -0.0000111500000000, -0.0002309300000000 ] - [ 0.0007719400000000, -0.0001218200000000, -0.0003063700000000 ] - [ 0.0002613000000000, -0.0002358500000000, 0.0001834400000000 ] - [ -0.0000797100000000, -0.0002900500000000, -0.0001079600000000 ] - [ -0.0000343900000000, 0.0005030700000000, 0.0006253800000000 ] - [ -0.0011212200000000, 0.0028176600000000, 0.0010076000000000 ] - [ 0.0001764100000000, 0.0006299000000000, 0.0000744200000000 ] - [ 0.0037848600000000, -0.0012532200000000, 0.0022604600000000 ] - [ -0.0004038300000000, -0.0006752500000000, 0.0004604100000000 ] - [ -0.0002067900000000, -0.0002716500000000, 0.0004596800000000 ] - [ 0.0005398100000000, -0.0004121400000000, -0.0004966400000000 ] - [ 0.0029994700000000, 0.0019373300000000, -0.0003949600000000 ] - [ -0.0002741500000000, 0.0001541300000000, 0.0000223700000000 ] - [ -0.0006247200000000, -0.0002772800000000, -0.0000800600000000 ] - [ -0.0005194200000000, -0.0002033400000000, -0.0006540200000000 ] - [ -0.0017981900000000, -0.0001995100000000, -0.0012367900000000 ] - [ -0.0001215800000000, 0.0000228700000000, -0.0000879300000000 ] - [ -0.0014336700000000, -0.0000831200000000, -0.0000173700000000 ] - [ -0.0006689000000000, -0.0002033500000000, -0.0002198900000000 ] - [ 0.0042117900000000, -0.0040989400000000, 0.0018963800000000 ] - [ 0.0003854200000000, -0.0000329500000000, 0.0002565400000000 ] - [ 0.0001108000000000, -0.0004100000000000, 0.0002027200000000 ] - [ 0.0003703400000000, -0.0005565700000000, -0.0006741300000000 ] - [ -0.0008311800000000, 0.0001624000000000, -0.0001101600000000 ] - [ -0.0006895700000000, 0.0001068200000000, -0.0001608400000000 ] - [ -0.0008588800000000, 0.0004180600000000, 0.0001929900000000 ] - [ 0.0000872300000000, 0.0001382700000000, -0.0002215900000000 ] - [ -0.0002214700000000, 0.0002435400000000, 0.0002409200000000 ] - [ 0.0005276900000000, 0.0013060200000000, -0.0013144200000000 ] - [ -0.0000899800000000, -0.0003054300000000, 0.0000410100000000 ] - [ -0.0000613800000000, -0.0003292700000000, -0.0002229300000000 ] - [ -0.0002248100000000, -0.0001687900000000, -0.0000005300000000 ] - [ 0.0000334300000000, -0.0001840800000000, -0.0000381100000000 ] - [ 0.0000399000000000, 0.0000994500000000, 0.0002988000000000 ] - [ 0.0002523900000000, 0.0000519500000000, 0.0004073800000000 ] - [ -0.0000232100000000, -0.0000348900000000, -0.0003124500000000 ] - [ 0.0000384300000000, 0.0000796900000000, -0.0002684800000000 ] - [ -0.0002840900000000, -0.0002601700000000, -0.0001511300000000 ] - [ -0.0000233200000000, -0.0003741400000000, -0.0005665200000000 ] - [ 0.0010170000000000, -0.0003308600000000, 0.0004747300000000 ] - [ 0.0000416000000000, -0.0002831500000000, 0.0005123000000000 ] - [ -0.0017155800000000, 0.0009733800000000, 0.0002259500000000 ] - [ 0.0001865700000000, -0.0001508500000000, -0.0001054400000000 ] - [ -0.0006391700000000, -0.0002361800000000, -0.0001235600000000 ] - [ -0.0012101600000000, -0.0001641600000000, -0.0011227000000000 ] - [ -0.0010393200000000, 0.0014472300000000, -0.0000505600000000 ] - [ -0.0000869900000000, 0.0006432000000000, -0.0000674100000000 ] - [ -0.0002405700000000, -0.0006947400000000, 0.0000725900000000 ] - [ -0.0000518200000000, -0.0007079800000000, -0.0001730500000000 ] - [ -0.0002948000000000, -0.0004222000000000, -0.0003922700000000 ] - [ 0.0000464700000000, 0.0000737100000000, 0.0001721700000000 ] - [ -0.0006798200000000, 0.0000827900000000, -0.0001165300000000 ] - [ -0.0003536600000000, 0.0001484800000000, -0.0003301500000000 ] - [ -0.0023006900000000, -0.0016776100000000, 0.0016624600000000 ] - [ -0.0002754100000000, 0.0000822800000000, -0.0000209700000000 ] - [ 0.0019990500000000, -0.0012803900000000, -0.0017282700000000 ] - [ -0.0001181300000000, -0.0000513300000000, 0.0000899000000000 ] - [ 0.0040951900000000, 0.0026666900000000, 0.0033852000000000 ] - [ 0.0004431500000000, 0.0001625400000000, -0.0002453000000000 ] - [ -0.0033643400000000, 0.0016067400000000, 0.0007820200000000 ] - [ 0.0015741500000000, 0.0008552400000000, -0.0012391000000000 ] - [ 0.0001075700000000, -0.0004251500000000, 0.0003077900000000 ] - [ 0.0002009400000000, -0.0003100100000000, 0.0000108200000000 ] - [ -0.0007869100000000, -0.0004332100000000, 0.0000460600000000 ] - [ -0.0003357800000000, -0.0002377800000000, -0.0000175500000000 ] - [ -0.0033019900000000, 0.0017177600000000, 0.0015980300000000 ] - [ 0.0000912700000000, 0.0005418600000000, -0.0003024400000000 ] - [ -0.0000696200000000, 0.0008384500000000, 0.0005099600000000 ] - [ 0.0006757900000000, 0.0007082400000000, -0.0003460700000000 ] - [ 0.0012249800000000, -0.0003191900000000, 0.0006245900000000 ] - [ 0.0000444300000000, 0.0001151700000000, 0.0002681800000000 ] - [ 0.0027454700000000, -0.0025212900000000, 0.0026398900000000 ] - [ 0.0002957400000000, 0.0000677400000000, -0.0001261000000000 ] - [ 0.0004246100000000, 0.0001932700000000, 0.0000790800000000 ] - [ 0.0004078900000000, 0.0001297600000000, 0.0002524400000000 ] - [ 0.0001613900000000, -0.0001134500000000, 0.0001051200000000 ] - [ 0.0002866600000000, 0.0001985900000000, 0.0004114700000000 ] - [ 0.0075450700000000, -0.0016170100000000, 0.0003207800000000 ] - [ 0.0000990000000000, -0.0000591000000000, -0.0000541500000000 ] - [ 0.0012468200000000, -0.0009307800000000, 0.0007282800000000 ] - [ 0.0002672900000000, -0.0000293200000000, 0.0002471900000000 ] - [ 0.0005653200000000, 0.0003082900000000, 0.0004338100000000 ] - [ 0.0002137800000000, 0.0005571400000000, 0.0004574700000000 ] - [ 0.0004581300000000, 0.0004888400000000, -0.0004447400000000 ] - [ 0.0017785600000000, 0.0014551800000000, 0.0013461600000000 ] - [ 0.0025757300000000, 0.0049034600000000, 0.0003982900000000 ] - [ 0.0000939600000000, -0.0000045000000000, 0.0002123900000000 ] - [ 0.0007157100000000, 0.0004092800000000, -0.0000610100000000 ] - [ 0.0000670900000000, -0.0000304800000000, 0.0000154400000000 ] - [ 0.0016222900000000, 0.0001454800000000, -0.0000022400000000 ] - [ 0.0001225900000000, -0.0000804400000000, 0.0003335300000000 ] - [ 0.0009524500000000, -0.0007108900000000, -0.0016715600000000 ] - [ -0.0010851500000000, -0.0004768700000000, 0.0027454400000000 ] - [ -0.0344355200000000, -0.0061600200000000, 0.0011628700000000 ] - [ -0.0000650000000000, -0.0001943600000000, -0.0004718500000000 ] - [ 0.0014262300000000, -0.0001466100000000, -0.0008399000000000 ] - [ 0.0004091000000000, -0.0002803600000000, 0.0011070300000000 ] - [ 0.0013534400000000, -0.0014846900000000, 0.0013963700000000 ] - [ 0.0001914500000000, 0.0000525800000000, 0.0001087800000000 ] - [ -0.0012485700000000, 0.0008750200000000, -0.0015140100000000 ] - [ -0.0012390000000000, -0.0009051000000000, -0.0011164700000000 ] - [ 0.0013552900000000, 0.0010668800000000, -0.0000384200000000 ] - [ 0.0003426600000000, 0.0001584300000000, 0.0004231900000000 ] - [ -0.0016756600000000, 0.0011174000000000, -0.0009332400000000 ] - [ -0.0004786100000000, 0.0001165200000000, -0.0003533300000000 ] - [ -0.0005279000000000, 0.0001739100000000, -0.0002035400000000 ] - [ -0.0004820800000000, -0.0000242000000000, -0.0003874100000000 ] - [ 0.0003352600000000, 0.0000781200000000, 0.0002833500000000 ] - [ 0.0005882200000000, -0.0001770800000000, 0.0000113200000000 ] - [ 0.0007167400000000, -0.0002515800000000, -0.0001624900000000 ] - [ 0.0003598600000000, 0.0000614400000000, 0.0000420300000000 ] - [ -0.0005510800000000, -0.0001825200000000, -0.0000449100000000 ] - [ -0.0002316900000000, 0.0000494300000000, 0.0000816200000000 ] - [ -0.0004513800000000, -0.0008096300000000, -0.0004367900000000 ] - [ -0.0006412200000000, 0.0000885300000000, 0.0004234800000000 ] - [ 0.0007221800000000, 0.0002112900000000, -0.0001562200000000 ] - [ 0.0007238800000000, -0.0001771700000000, 0.0001493400000000 ]- atom: 121 displacement: [ -0.0099999386121055, 0.0000000000000000, 0.0000350393225009 ] forces: - [ -0.0003491100000000, 0.0006421900000000, 0.0004260500000000 ] - [ 0.0000553300000000, 0.0001275500000000, -0.0001260600000000 ] - [ -0.0001895600000000, 0.0002696500000000, -0.0001036100000000 ] - [ -0.0000747600000000, 0.0001359900000000, -0.0000316000000000 ] - [ -0.0011151600000000, -0.0001606500000000, 0.0001188800000000 ] - [ -0.0004889700000000, -0.0000771800000000, -0.0001000300000000 ] - [ 0.0010220900000000, -0.0007422100000000, 0.0001168300000000 ] - [ 0.0003563200000000, -0.0001155000000000, 0.0000995800000000 ] - [ 0.0011401400000000, 0.0010552100000000, 0.0008495900000000 ] - [ 0.0007386500000000, 0.0001505700000000, -0.0000671900000000 ] - [ -0.0019999100000000, -0.0002111800000000, -0.0003074900000000 ] - [ -0.0003768100000000, 0.0008518900000000, -0.0006962600000000 ] - [ -0.0026737600000000, -0.0003675700000000, 0.0008548300000000 ] - [ 0.0000904800000000, 0.0000990500000000, -0.0001067700000000 ] - [ -0.0002312500000000, -0.0002279500000000, 0.0003644300000000 ] - [ 0.0005393100000000, 0.0000139000000000, -0.0005036400000000 ] - [ 0.0031568500000000, 0.0007764600000000, 0.0006740400000000 ] - [ 0.0000033000000000, -0.0001820100000000, 0.0000592300000000 ] - [ -0.0015443500000000, -0.0009433300000000, 0.0026178700000000 ] - [ -0.0009112800000000, -0.0003132700000000, -0.0001273100000000 ] - [ 0.0002912400000000, 0.0001209700000000, 0.0005349900000000 ] - [ 0.0007307500000000, 0.0002792000000000, 0.0006114500000000 ] - [ -0.0108926200000000, -0.0023954500000000, 0.0062178400000000 ] - [ -0.0002225600000000, 0.0001248100000000, -0.0002326600000000 ] - [ -0.0007528100000000, -0.0002034100000000, 0.0006692400000000 ] - [ 0.0001976300000000, 0.0000605100000000, -0.0006494700000000 ] - [ 0.0007301400000000, -0.0003557400000000, 0.0002665700000000 ] - [ 0.0001509900000000, -0.0001483500000000, 0.0005778300000000 ] - [ -0.0003039900000000, -0.0002497000000000, 0.0005520500000000 ] - [ 0.0002281300000000, -0.0001533400000000, 0.0000615900000000 ] - [ -0.0004072600000000, -0.0000960600000000, -0.0001416700000000 ] - [ -0.0004594400000000, -0.0008989600000000, -0.0008689700000000 ] - [ 0.0011056000000000, -0.0016023900000000, -0.0009997600000000 ] - [ -0.0001735800000000, 0.0005990800000000, -0.0000776600000000 ] - [ -0.0038215800000000, 0.0000183500000000, -0.0023547600000000 ] - [ 0.0003948300000000, -0.0005503200000000, -0.0004562300000000 ] - [ 0.0006909500000000, 0.0006586900000000, -0.0002124800000000 ] - [ -0.0000590400000000, 0.0007892800000000, 0.0007449300000000 ] - [ -0.0035212300000000, -0.0016299100000000, 0.0001456000000000 ] - [ -0.0002163200000000, 0.0002333200000000, -0.0002654000000000 ] - [ 0.0006192000000000, 0.0001850400000000, 0.0000747600000000 ] - [ 0.0005246300000000, 0.0001160000000000, 0.0006585500000000 ] - [ 0.0017879800000000, 0.0002882100000000, 0.0012262800000000 ] - [ 0.0001315000000000, 0.0000729200000000, 0.0001010300000000 ] - [ 0.0006891900000000, -0.0000941000000000, -0.0000145400000000 ] - [ -0.0000772300000000, 0.0000265800000000, 0.0001937000000000 ] - [ -0.0033100800000000, 0.0037341400000000, -0.0017553500000000 ] - [ 0.0003399000000000, -0.0001500000000000, -0.0002218700000000 ] - [ 0.0006343600000000, 0.0005830100000000, -0.0001717100000000 ] - [ 0.0003666300000000, 0.0007352900000000, 0.0007035500000000 ] - [ 0.0001006900000000, 0.0000189700000000, 0.0000811300000000 ] - [ -0.0000499500000000, 0.0000681300000000, 0.0001353500000000 ] - [ 0.0013006900000000, -0.0001951800000000, -0.0002273700000000 ] - [ 0.0003586000000000, 0.0000798700000000, 0.0001880400000000 ] - [ -0.0002306000000000, -0.0000298000000000, -0.0001993600000000 ] - [ -0.0009740800000000, -0.0010822700000000, 0.0013425300000000 ] - [ -0.0003533800000000, 0.0000850600000000, -0.0000085700000000 ] - [ -0.0003878500000000, 0.0001138600000000, 0.0002608600000000 ] - [ 0.0006745000000000, -0.0000468100000000, -0.0000373400000000 ] - [ 0.0004165100000000, -0.0000294900000000, 0.0000001500000000 ] - [ -0.0003950000000000, 0.0000639900000000, 0.0000570300000000 ] - [ -0.0006017500000000, 0.0001202100000000, -0.0000396100000000 ] - [ 0.0003890000000000, 0.0001915900000000, -0.0000284000000000 ] - [ 0.0003166000000000, 0.0000871600000000, -0.0000858700000000 ] - [ 0.0006380600000000, 0.0000917800000000, -0.0002052200000000 ] - [ 0.0003844300000000, 0.0002152800000000, 0.0002199300000000 ] - [ -0.0013593300000000, 0.0001603500000000, -0.0001044400000000 ] - [ -0.0003928200000000, 0.0001117300000000, -0.0001506500000000 ] - [ 0.0021845100000000, -0.0013453900000000, 0.0000260200000000 ] - [ 0.0003083600000000, -0.0002455900000000, 0.0003477700000000 ] - [ 0.0001545100000000, -0.0001449100000000, -0.0001191800000000 ] - [ 0.0007207300000000, -0.0002203700000000, 0.0008749200000000 ] - [ 0.0010457300000000, -0.0002211000000000, 0.0000496300000000 ] - [ 0.0000905000000000, 0.0005841900000000, 0.0000669300000000 ] - [ 0.0002374000000000, -0.0005343600000000, -0.0000670000000000 ] - [ 0.0000526800000000, -0.0005165300000000, 0.0001732300000000 ] - [ 0.0007796100000000, 0.0008074000000000, 0.0006343400000000 ] - [ 0.0004358300000000, 0.0003053300000000, 0.0000796000000000 ] - [ 0.0001841200000000, 0.0003096300000000, -0.0001246800000000 ] - [ -0.0001315400000000, 0.0002347500000000, 0.0000827800000000 ] - [ 0.0020150500000000, 0.0018534300000000, -0.0015458000000000 ] - [ -0.0000379100000000, 0.0001028500000000, 0.0001513900000000 ] - [ -0.0016887000000000, 0.0014658800000000, 0.0016021200000000 ] - [ 0.0004361400000000, 0.0002394600000000, -0.0002177400000000 ] - [ -0.0037913200000000, -0.0028900600000000, -0.0035659600000000 ] - [ -0.0001277400000000, -0.0003413100000000, 0.0001150700000000 ] - [ 0.0030425200000000, -0.0017906900000000, -0.0006439200000000 ] - [ -0.0018653700000000, -0.0010236600000000, 0.0013667000000000 ] - [ 0.0002019400000000, -0.0001355500000000, -0.0004162100000000 ] - [ 0.0001136600000000, -0.0002543200000000, -0.0001016900000000 ] - [ 0.0004784100000000, -0.0001308300000000, 0.0000486200000000 ] - [ 0.0000227600000000, -0.0003257800000000, 0.0001225700000000 ] - [ 0.0029836300000000, -0.0011506500000000, -0.0015063500000000 ] - [ -0.0003990700000000, 0.0000245600000000, 0.0003944600000000 ] - [ 0.0003834500000000, -0.0002784400000000, -0.0006166700000000 ] - [ -0.0003651500000000, -0.0001473500000000, 0.0002402900000000 ] - [ -0.0015349600000000, 0.0004998000000000, -0.0004845300000000 ] - [ -0.0003570200000000, 0.0000739400000000, -0.0001395100000000 ] - [ -0.0023998300000000, 0.0027022800000000, -0.0027767500000000 ] - [ 0.0000213200000000, 0.0001167000000000, -0.0000054700000000 ] - [ -0.0001078500000000, -0.0003775100000000, -0.0002102600000000 ] - [ -0.0000905100000000, -0.0003153400000000, -0.0003831800000000 ] - [ -0.0004781800000000, -0.0000756700000000, 0.0000245200000000 ] - [ -0.0006024300000000, -0.0003852100000000, -0.0002781700000000 ] - [ -0.0071350300000000, 0.0010332100000000, -0.0004314300000000 ] - [ 0.0002177200000000, -0.0005030700000000, -0.0000423600000000 ] - [ -0.0015524200000000, 0.0003616100000000, -0.0006217500000000 ] - [ -0.0005749100000000, -0.0005329400000000, -0.0001480400000000 ] - [ -0.0008805600000000, 0.0002574600000000, -0.0003463100000000 ] - [ -0.0005216100000000, 0.0000035100000000, -0.0003555000000000 ] - [ -0.0001467000000000, 0.0000748500000000, 0.0003375700000000 ] - [ -0.0014707900000000, -0.0008989800000000, -0.0014513400000000 ] - [ -0.0022019700000000, -0.0047319400000000, -0.0000567100000000 ] - [ 0.0002707100000000, 0.0001299100000000, 0.0001268100000000 ] - [ -0.0010773600000000, -0.0002831400000000, -0.0002762600000000 ] - [ -0.0004295700000000, 0.0001528300000000, -0.0003575000000000 ] - [ -0.0019871300000000, -0.0002672000000000, -0.0003433700000000 ] - [ -0.0004860100000000, -0.0000426200000000, -0.0006718700000000 ] - [ -0.0005846800000000, 0.0005881600000000, 0.0020025100000000 ] - [ 0.0014386800000000, 0.0003544300000000, -0.0023967600000000 ] - [ 0.0340830000000000, 0.0062688500000000, -0.0012786500000000 ] - [ 0.0003581200000000, 0.0001151100000000, 0.0001110800000000 ] - [ -0.0017253900000000, 0.0000708400000000, 0.0012085400000000 ] - [ -0.0007021500000000, 0.0001994000000000, -0.0007446400000000 ] - [ -0.0016544200000000, 0.0015785600000000, -0.0010499100000000 ] - [ -0.0004847500000000, 0.0000248200000000, 0.0002495100000000 ] - [ 0.0015291200000000, -0.0007895000000000, 0.0011629100000000 ] - [ 0.0015351400000000, 0.0009737900000000, 0.0007551600000000 ] - [ -0.0009861800000000, -0.0009511100000000, 0.0003798000000000 ] - [ 0.0000223400000000, -0.0000327700000000, -0.0000835900000000 ] - [ 0.0013112500000000, -0.0009840200000000, 0.0005928100000000 ] - [ 0.0001171700000000, 0.0000072800000000, 0.0000122000000000 ] - [ 0.0001622800000000, -0.0003039700000000, -0.0001367800000000 ] - [ 0.0001178900000000, -0.0001001200000000, 0.0000477400000000 ] - [ 0.0000295200000000, -0.0001995200000000, 0.0000597700000000 ] - [ -0.0002245300000000, 0.0000536000000000, 0.0003276400000000 ] - [ -0.0004237500000000, 0.0001741800000000, -0.0001934700000000 ] - [ -0.0000661000000000, -0.0001410500000000, -0.0004005400000000 ] - [ 0.0002514900000000, 0.0001016100000000, 0.0004026500000000 ] - [ -0.0000651000000000, -0.0001273800000000, 0.0002738100000000 ] - [ 0.0001539300000000, 0.0008840700000000, 0.0007910400000000 ] - [ 0.0003450800000000, -0.0000108700000000, -0.0000653300000000 ] - [ -0.0004264000000000, -0.0001358200000000, -0.0002059100000000 ] - [ -0.0004289800000000, 0.0002546700000000, -0.0005084200000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003646900000000, -0.0015290100000000, -0.0009035600000000 ] - [ -0.0000134500000000, -0.0004023700000000, 0.0000660400000000 ] - [ 0.0001154900000000, -0.0011856900000000, -0.0000003000000000 ] - [ -0.0000238700000000, -0.0003367300000000, 0.0000044300000000 ] - [ -0.0001078300000000, -0.0019732200000000, -0.0011640300000000 ] - [ -0.0004484600000000, -0.0002416300000000, -0.0000141400000000 ] - [ 0.0010355000000000, -0.0008941300000000, -0.0000098400000000 ] - [ 0.0004660500000000, -0.0002223400000000, 0.0001030000000000 ] - [ -0.0006316900000000, -0.0001412600000000, -0.0009767900000000 ] - [ 0.0002137600000000, 0.0000308600000000, 0.0001396500000000 ] - [ 0.0003899200000000, -0.0010087900000000, -0.0023097200000000 ] - [ -0.0004247300000000, -0.0001913900000000, 0.0003769300000000 ] - [ 0.0016880300000000, 0.0098418100000000, -0.0047354300000000 ] - [ 0.0003425000000000, 0.0001675000000000, -0.0001995300000000 ] - [ -0.0001340400000000, 0.0003164300000000, 0.0002591200000000 ] - [ 0.0005659400000000, 0.0002316800000000, -0.0006762000000000 ] - [ -0.0012262400000000, 0.0010680000000000, 0.0000628500000000 ] - [ -0.0003987900000000, 0.0000760500000000, 0.0001076700000000 ] - [ 0.0006586600000000, 0.0011880000000000, -0.0011161200000000 ] - [ 0.0006028500000000, 0.0007045800000000, -0.0003642600000000 ] - [ -0.0002270000000000, 0.0003410100000000, 0.0001497000000000 ] - [ -0.0001342000000000, 0.0004606800000000, 0.0002518800000000 ] - [ 0.0004360900000000, 0.0030818700000000, -0.0017749500000000 ] - [ 0.0002137600000000, 0.0004095400000000, -0.0001256600000000 ] - [ 0.0001979000000000, 0.0008164600000000, -0.0013048600000000 ] - [ -0.0000378300000000, 0.0001410600000000, 0.0001031100000000 ] - [ -0.0001856300000000, 0.0002757400000000, 0.0001186000000000 ] - [ -0.0004471700000000, 0.0002066100000000, -0.0001466600000000 ] - [ 0.0016210000000000, -0.0018889700000000, 0.0002689000000000 ] - [ 0.0002873200000000, -0.0002979400000000, 0.0000549100000000 ] - [ -0.0002556900000000, -0.0005953300000000, 0.0002519300000000 ] - [ -0.0002110500000000, -0.0009659400000000, -0.0007830800000000 ] - [ 0.0022556300000000, -0.0010415900000000, -0.0015231800000000 ] - [ 0.0000735100000000, 0.0006640600000000, 0.0001694800000000 ] - [ -0.0000113500000000, 0.0012366300000000, -0.0009630500000000 ] - [ -0.0005190300000000, -0.0005210900000000, 0.0004646700000000 ] - [ -0.0001977000000000, -0.0001007600000000, 0.0004748600000000 ] - [ -0.0000274500000000, 0.0003961400000000, -0.0002257800000000 ] - [ 0.0018188900000000, 0.0053877400000000, -0.0012906100000000 ] - [ -0.0002854700000000, 0.0001576600000000, -0.0000889900000000 ] - [ -0.0001933600000000, 0.0001265600000000, -0.0000124300000000 ] - [ -0.0008518900000000, -0.0000126400000000, -0.0009222000000000 ] - [ 0.0001012000000000, 0.0015551000000000, -0.0002698500000000 ] - [ -0.0000399400000000, 0.0002440400000000, -0.0000245500000000 ] - [ -0.0002893300000000, 0.0001570900000000, 0.0000239600000000 ] - [ -0.0004558300000000, -0.0000359500000000, -0.0000894300000000 ] - [ -0.0022028000000000, 0.0040103000000000, -0.0022955200000000 ] - [ 0.0003655600000000, 0.0000683900000000, 0.0000406700000000 ] - [ -0.0002398600000000, -0.0000830400000000, 0.0003105000000000 ] - [ 0.0001513300000000, -0.0005834700000000, -0.0006950300000000 ] - [ -0.0003325300000000, 0.0000054900000000, 0.0000983800000000 ] - [ -0.0005011600000000, 0.0000342400000000, -0.0001025100000000 ] - [ 0.0001059500000000, -0.0000345600000000, -0.0001656700000000 ] - [ 0.0001963300000000, 0.0000242800000000, 0.0000203000000000 ] - [ 0.0000269400000000, 0.0000783400000000, -0.0002146000000000 ] - [ -0.0001995400000000, -0.0006406000000000, 0.0008145400000000 ] - [ -0.0003851200000000, -0.0008795700000000, -0.0000425500000000 ] - [ -0.0001661800000000, -0.0004557100000000, -0.0002488200000000 ] - [ 0.0000859000000000, -0.0005073400000000, 0.0000208900000000 ] - [ 0.0001782700000000, -0.0002768900000000, 0.0000256900000000 ] - [ -0.0002717500000000, -0.0004821900000000, 0.0000646600000000 ] - [ -0.0003579600000000, -0.0010483200000000, -0.0001826000000000 ] - [ 0.0005169500000000, -0.0007846100000000, 0.0000822200000000 ] - [ 0.0002205600000000, -0.0001294200000000, -0.0001902600000000 ] - [ 0.0000120800000000, -0.0005033900000000, -0.0000964400000000 ] - [ -0.0000270400000000, -0.0004549400000000, -0.0004887100000000 ] - [ 0.0004609200000000, -0.0018072100000000, 0.0004263700000000 ] - [ -0.0000880000000000, -0.0003765100000000, 0.0001471100000000 ] - [ 0.0006801200000000, 0.0004992400000000, -0.0008137600000000 ] - [ 0.0001839400000000, -0.0000756400000000, 0.0001306000000000 ] - [ -0.0002893800000000, -0.0000732200000000, -0.0002201900000000 ] - [ 0.0007954000000000, 0.0001438000000000, 0.0008821400000000 ] - [ 0.0008075300000000, 0.0000172500000000, -0.0000524300000000 ] - [ 0.0000137000000000, 0.0005867000000000, -0.0000565100000000 ] - [ -0.0000955500000000, -0.0008455900000000, 0.0000559500000000 ] - [ -0.0000424200000000, -0.0009303100000000, -0.0001240300000000 ] - [ -0.0003938600000000, -0.0005333900000000, -0.0003876000000000 ] - [ 0.0000919700000000, 0.0001261200000000, 0.0002379700000000 ] - [ -0.0005811000000000, 0.0000588500000000, -0.0000900600000000 ] - [ -0.0003399400000000, 0.0000941700000000, -0.0002965900000000 ] - [ -0.0037485100000000, 0.0052600000000000, 0.0023908300000000 ] - [ -0.0001700300000000, 0.0001854500000000, 0.0000515500000000 ] - [ -0.0014953800000000, 0.0019516100000000, 0.0015205900000000 ] - [ -0.0000072000000000, 0.0000392300000000, -0.0002793800000000 ] - [ 0.0041448900000000, -0.0023105600000000, 0.0035606000000000 ] - [ 0.0003363100000000, 0.0000251700000000, -0.0002489000000000 ] - [ 0.0006571700000000, -0.0011927000000000, 0.0023720500000000 ] - [ 0.0007141600000000, 0.0010049500000000, -0.0009840100000000 ] - [ -0.0001845000000000, 0.0010369500000000, 0.0005505000000000 ] - [ 0.0001696900000000, -0.0000303200000000, -0.0000312200000000 ] - [ -0.0009646200000000, 0.0010547400000000, 0.0005247900000000 ] - [ 0.0001608200000000, 0.0002775600000000, 0.0000506100000000 ] - [ -0.0017274800000000, 0.0044171000000000, 0.0016014400000000 ] - [ 0.0000142000000000, 0.0005882100000000, -0.0001015000000000 ] - [ 0.0003400400000000, 0.0004787700000000, 0.0007421900000000 ] - [ 0.0004507300000000, 0.0008095600000000, -0.0002808700000000 ] - [ -0.0005947300000000, -0.0000641700000000, 0.0003129900000000 ] - [ -0.0001073400000000, 0.0000943900000000, 0.0001025800000000 ] - [ -0.0012917400000000, 0.0026494300000000, -0.0021678000000000 ] - [ 0.0001201400000000, -0.0000422300000000, 0.0000570100000000 ] - [ 0.0003362100000000, 0.0003159600000000, 0.0001099700000000 ] - [ 0.0005388400000000, 0.0003101200000000, 0.0002654900000000 ] - [ -0.0000931900000000, 0.0000683500000000, -0.0000012800000000 ] - [ 0.0002181500000000, 0.0003033300000000, 0.0004663900000000 ] - [ -0.0013551100000000, -0.0045778000000000, 0.0034634400000000 ] - [ 0.0001870600000000, -0.0004371800000000, -0.0000470200000000 ] - [ -0.0004787400000000, -0.0010855800000000, 0.0002720200000000 ] - [ -0.0000832900000000, -0.0004890100000000, 0.0001028000000000 ] - [ -0.0000117500000000, 0.0001327900000000, 0.0001177500000000 ] - [ 0.0001603700000000, 0.0006342000000000, 0.0004162600000000 ] - [ 0.0004257800000000, 0.0000012600000000, -0.0002758700000000 ] - [ 0.0017855200000000, 0.0024390800000000, 0.0017114300000000 ] - [ 0.0052969200000000, 0.0027939700000000, 0.0002914900000000 ] - [ 0.0001503400000000, -0.0000997400000000, 0.0002895600000000 ] - [ -0.0002323800000000, -0.0001986000000000, -0.0002785700000000 ] - [ -0.0001991800000000, -0.0000567200000000, -0.0001207500000000 ] - [ 0.0000833000000000, -0.0003891500000000, -0.0000846800000000 ] - [ -0.0000738700000000, -0.0005732600000000, -0.0003147700000000 ] - [ 0.0001628300000000, -0.0007860000000000, -0.0000477700000000 ] - [ -0.0003282900000000, -0.0019572000000000, -0.0009707900000000 ] - [ -0.0060380400000000, -0.0315236300000000, 0.0102005500000000 ] - [ 0.0000004600000000, -0.0003660500000000, -0.0002667000000000 ] - [ -0.0000479100000000, -0.0009980500000000, 0.0000522900000000 ] - [ 0.0000862800000000, -0.0005212100000000, 0.0004810900000000 ] - [ -0.0016950700000000, -0.0007378600000000, -0.0006723200000000 ] - [ -0.0001442400000000, -0.0002995800000000, 0.0003326200000000 ] - [ 0.0010897000000000, -0.0006822300000000, -0.0030037100000000 ] - [ -0.0006705900000000, -0.0006818300000000, 0.0018801600000000 ] - [ 0.0015422100000000, 0.0010613200000000, -0.0000938700000000 ] - [ 0.0002039300000000, 0.0002412900000000, 0.0003237800000000 ] - [ 0.0001355000000000, 0.0030232700000000, -0.0026211200000000 ] - [ -0.0004104900000000, 0.0003853400000000, 0.0005935800000000 ] - [ 0.0001289500000000, 0.0025540800000000, -0.0005660600000000 ] - [ -0.0002491400000000, 0.0002724800000000, 0.0000740400000000 ] - [ 0.0002271300000000, 0.0006286200000000, -0.0002039100000000 ] - [ 0.0000345000000000, 0.0004311700000000, 0.0003756100000000 ] - [ -0.0000588000000000, 0.0005051200000000, -0.0001929200000000 ] - [ 0.0002586800000000, 0.0002449600000000, -0.0000632300000000 ] - [ -0.0000156700000000, 0.0011594400000000, 0.0001191200000000 ] - [ -0.0002492500000000, 0.0002872900000000, 0.0002004900000000 ] - [ -0.0010019200000000, 0.0010930600000000, 0.0004789900000000 ] - [ -0.0001055400000000, 0.0004222900000000, -0.0000608700000000 ] - [ 0.0003723800000000, 0.0004919200000000, -0.0001449900000000 ] - [ -0.0000187100000000, 0.0004894400000000, -0.0003624600000000 ]- atom: 121 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003809500000000, 0.0014330200000000, 0.0009195000000000 ] - [ 0.0000042800000000, 0.0003161900000000, -0.0000761200000000 ] - [ -0.0000979600000000, 0.0012819600000000, 0.0000147900000000 ] - [ 0.0000336500000000, 0.0004300400000000, 0.0000063800000000 ] - [ -0.0006237700000000, 0.0018056900000000, 0.0011284400000000 ] - [ -0.0002903200000000, 0.0000786000000000, -0.0000158100000000 ] - [ -0.0003133600000000, 0.0007209900000000, 0.0000510900000000 ] - [ 0.0002616600000000, 0.0000491500000000, -0.0000622200000000 ] - [ 0.0013603100000000, 0.0003126200000000, 0.0010245100000000 ] - [ 0.0005162000000000, 0.0001143000000000, -0.0001246700000000 ] - [ -0.0011299700000000, 0.0011702600000000, 0.0022990700000000 ] - [ -0.0003059200000000, 0.0003502900000000, -0.0004062800000000 ] - [ -0.0011708500000000, -0.0091065500000000, 0.0044708400000000 ] - [ 0.0001201200000000, 0.0000495200000000, 0.0001697600000000 ] - [ -0.0003284100000000, -0.0001004000000000, -0.0002262400000000 ] - [ -0.0010303600000000, -0.0000190900000000, 0.0007039000000000 ] - [ 0.0007500000000000, -0.0012862300000000, -0.0000306800000000 ] - [ -0.0000802200000000, -0.0002786600000000, -0.0000643000000000 ] - [ -0.0001901100000000, -0.0013909600000000, 0.0010692300000000 ] - [ -0.0001352100000000, -0.0009210700000000, 0.0003320900000000 ] - [ -0.0001567100000000, -0.0001857300000000, 0.0001893000000000 ] - [ -0.0002402800000000, -0.0002985800000000, 0.0000972800000000 ] - [ -0.0000725500000000, -0.0029434100000000, 0.0014503300000000 ] - [ 0.0001626100000000, -0.0002528000000000, -0.0002181000000000 ] - [ 0.0002175700000000, -0.0009361800000000, 0.0010077000000000 ] - [ 0.0004180200000000, -0.0002905500000000, -0.0004395400000000 ] - [ -0.0001857100000000, -0.0004380100000000, 0.0002325000000000 ] - [ 0.0000448500000000, -0.0003405000000000, 0.0004656300000000 ] - [ -0.0011170900000000, 0.0014966100000000, -0.0000455000000000 ] - [ 0.0002064700000000, -0.0000826700000000, 0.0001765900000000 ] - [ -0.0002260700000000, 0.0002282200000000, -0.0004865000000000 ] - [ -0.0002660900000000, 0.0005997200000000, 0.0005462600000000 ] - [ -0.0022539300000000, 0.0022570500000000, 0.0015216600000000 ] - [ -0.0000709700000000, 0.0005559300000000, -0.0001716000000000 ] - [ 0.0000162900000000, -0.0024654500000000, 0.0009759300000000 ] - [ 0.0005264700000000, -0.0006827200000000, -0.0004687900000000 ] - [ 0.0006724600000000, 0.0004576300000000, -0.0002422600000000 ] - [ 0.0005225500000000, -0.0000214300000000, 0.0004503900000000 ] - [ -0.0024678600000000, -0.0053036200000000, 0.0010313200000000 ] - [ -0.0001894700000000, 0.0002051600000000, -0.0001296200000000 ] - [ 0.0001829100000000, -0.0002268000000000, 0.0000000400000000 ] - [ 0.0008762000000000, -0.0000719800000000, 0.0009530200000000 ] - [ -0.0001161600000000, -0.0014625000000000, 0.0002574100000000 ] - [ 0.0000470100000000, -0.0001410500000000, 0.0000294200000000 ] - [ -0.0004340600000000, -0.0003311500000000, -0.0000649400000000 ] - [ -0.0002815700000000, -0.0001385200000000, 0.0000497300000000 ] - [ 0.0030786700000000, -0.0042707500000000, 0.0024047300000000 ] - [ 0.0003554900000000, -0.0002338300000000, -0.0000068900000000 ] - [ 0.0009667000000000, 0.0002435000000000, -0.0002802500000000 ] - [ 0.0005706000000000, 0.0007616900000000, 0.0007402200000000 ] - [ -0.0003902500000000, 0.0001686500000000, -0.0001392900000000 ] - [ -0.0002443100000000, 0.0001141300000000, 0.0000857000000000 ] - [ 0.0003621800000000, 0.0002481000000000, 0.0001327000000000 ] - [ 0.0002630000000000, 0.0001929900000000, -0.0000431000000000 ] - [ -0.0005004800000000, 0.0001308100000000, 0.0002546400000000 ] - [ -0.0002813100000000, 0.0008442300000000, -0.0007713700000000 ] - [ -0.0000854100000000, 0.0006668600000000, 0.0000769800000000 ] - [ -0.0002976900000000, 0.0002400600000000, 0.0002779000000000 ] - [ 0.0003847600000000, 0.0002963300000000, -0.0000545100000000 ] - [ 0.0002899100000000, 0.0000625700000000, -0.0000536200000000 ] - [ -0.0001139600000000, 0.0006357000000000, 0.0002722300000000 ] - [ -0.0000306000000000, 0.0011962500000000, 0.0005099100000000 ] - [ -0.0001409500000000, 0.0009450300000000, -0.0004319300000000 ] - [ 0.0001564000000000, 0.0002864800000000, -0.0001552700000000 ] - [ 0.0003773700000000, 0.0003574600000000, -0.0002345300000000 ] - [ 0.0003991200000000, 0.0002901400000000, 0.0001401900000000 ] - [ -0.0008502200000000, 0.0016633000000000, -0.0000913300000000 ] - [ -0.0002952300000000, 0.0002215500000000, 0.0001936300000000 ] - [ -0.0001996800000000, -0.0008689200000000, 0.0010536000000000 ] - [ 0.0003141100000000, -0.0003090000000000, 0.0001043200000000 ] - [ -0.0001912700000000, -0.0002945700000000, -0.0000054200000000 ] - [ -0.0012739600000000, -0.0005136700000000, -0.0010933400000000 ] - [ -0.0007871300000000, 0.0011852800000000, 0.0000409800000000 ] - [ 0.0000012000000000, 0.0006298600000000, 0.0000473000000000 ] - [ 0.0000994600000000, -0.0003702000000000, -0.0000575100000000 ] - [ 0.0000414000000000, -0.0002830300000000, 0.0001219300000000 ] - [ 0.0008889200000000, 0.0009161600000000, 0.0006088800000000 ] - [ 0.0003923900000000, 0.0002454400000000, -0.0000012900000000 ] - [ 0.0000867200000000, 0.0003209900000000, -0.0001315200000000 ] - [ -0.0001307000000000, 0.0002603500000000, 0.0000528200000000 ] - [ 0.0033935900000000, -0.0049977800000000, -0.0022369700000000 ] - [ -0.0001530200000000, 0.0000225600000000, 0.0000869300000000 ] - [ 0.0018162000000000, -0.0017353600000000, -0.0016628000000000 ] - [ 0.0003299000000000, 0.0001693800000000, 0.0001353800000000 ] - [ -0.0038300100000000, 0.0021400500000000, -0.0037213700000000 ] - [ -0.0000077000000000, -0.0002294900000000, 0.0001030100000000 ] - [ -0.0009946700000000, 0.0010091800000000, -0.0022329000000000 ] - [ -0.0010240100000000, -0.0011937100000000, 0.0011186800000000 ] - [ 0.0004971600000000, -0.0015981300000000, -0.0006357100000000 ] - [ 0.0001480300000000, -0.0005341900000000, -0.0000590100000000 ] - [ 0.0006411400000000, -0.0016106400000000, -0.0004285900000000 ] - [ -0.0004800800000000, -0.0008396400000000, 0.0000361000000000 ] - [ 0.0014052200000000, -0.0038842800000000, -0.0015176500000000 ] - [ -0.0003306200000000, -0.0000192600000000, 0.0001941200000000 ] - [ -0.0000222800000000, 0.0000883400000000, -0.0008383300000000 ] - [ -0.0001333300000000, -0.0002431200000000, 0.0001871400000000 ] - [ 0.0002670500000000, 0.0002678000000000, -0.0001676600000000 ] - [ -0.0002156300000000, 0.0001125500000000, 0.0000361400000000 ] - [ 0.0016209400000000, -0.0024385700000000, 0.0020094700000000 ] - [ 0.0002047400000000, 0.0002523800000000, -0.0002009300000000 ] - [ -0.0000093800000000, -0.0005229200000000, -0.0002533300000000 ] - [ -0.0002185900000000, -0.0005188100000000, -0.0004072500000000 ] - [ -0.0002300600000000, -0.0002748900000000, 0.0001417400000000 ] - [ -0.0005412700000000, -0.0005095300000000, -0.0003283800000000 ] - [ 0.0016556000000000, 0.0040330200000000, -0.0035698800000000 ] - [ 0.0001291600000000, -0.0001277500000000, -0.0000475200000000 ] - [ 0.0001590200000000, 0.0005180700000000, -0.0001803100000000 ] - [ -0.0002348200000000, -0.0000747300000000, -0.0000084300000000 ] - [ -0.0003067100000000, 0.0004300900000000, -0.0000283400000000 ] - [ -0.0004764200000000, -0.0000750500000000, -0.0003236000000000 ] - [ -0.0001062500000000, 0.0005563100000000, 0.0001871200000000 ] - [ -0.0014695300000000, -0.0018729700000000, -0.0018002600000000 ] - [ -0.0048783300000000, -0.0026621000000000, 0.0000541000000000 ] - [ 0.0002208800000000, 0.0002189200000000, 0.0000528500000000 ] - [ -0.0001441300000000, 0.0003163900000000, -0.0000645100000000 ] - [ -0.0001751800000000, 0.0001745400000000, -0.0002271000000000 ] - [ -0.0004563600000000, 0.0002645600000000, -0.0002611800000000 ] - [ -0.0003038400000000, 0.0004546800000000, -0.0000314000000000 ] - [ 0.0002092300000000, 0.0006747300000000, 0.0003975300000000 ] - [ 0.0006901400000000, 0.0018382800000000, 0.0013106800000000 ] - [ 0.0063222200000000, 0.0311961100000000, -0.0104508800000000 ] - [ 0.0003093700000000, 0.0002758900000000, -0.0000887500000000 ] - [ -0.0002590100000000, 0.0009112000000000, 0.0003043700000000 ] - [ -0.0003906100000000, 0.0004305000000000, -0.0001166200000000 ] - [ 0.0013770900000000, 0.0008197300000000, 0.0010240300000000 ] - [ -0.0001684900000000, 0.0003863100000000, 0.0000211800000000 ] - [ -0.0007681100000000, 0.0007635700000000, 0.0026412700000000 ] - [ 0.0009783700000000, 0.0007609900000000, -0.0022261600000000 ] - [ -0.0011712100000000, -0.0009397000000000, 0.0004402200000000 ] - [ 0.0001648700000000, -0.0001233400000000, 0.0000258500000000 ] - [ -0.0005174900000000, -0.0029220600000000, 0.0022973200000000 ] - [ 0.0000351900000000, -0.0002650900000000, -0.0009416100000000 ] - [ -0.0005078900000000, -0.0026666400000000, 0.0002105000000000 ] - [ -0.0001243400000000, -0.0003982700000000, -0.0004203000000000 ] - [ 0.0001456400000000, -0.0007516500000000, 0.0005439900000000 ] - [ 0.0003393000000000, -0.0005480200000000, -0.0000335700000000 ] - [ 0.0003650100000000, -0.0005901500000000, -0.0001594100000000 ] - [ 0.0000527700000000, -0.0003319800000000, -0.0002907000000000 ] - [ -0.0002932200000000, -0.0012507000000000, 0.0002411700000000 ] - [ -0.0000671200000000, -0.0003736100000000, 0.0001508800000000 ] - [ 0.0006967200000000, -0.0010050100000000, -0.0001226300000000 ] - [ -0.0001973300000000, -0.0003312600000000, 0.0004186700000000 ] - [ -0.0000616700000000, -0.0004027300000000, -0.0002135300000000 ] - [ 0.0003333100000000, -0.0003992500000000, 0.0000087000000000 ]- atom: 121 displacement: [ -0.0026967483687124, 0.0000000000000000, 0.0096295144340640 ] forces: - [ -0.0003287500000000, -0.0002000200000000, 0.0003319800000000 ] - [ 0.0001566200000000, 0.0002839200000000, -0.0001958600000000 ] - [ 0.0001200800000000, 0.0001335700000000, 0.0003986100000000 ] - [ -0.0000959200000000, 0.0000065700000000, -0.0003036900000000 ] - [ -0.0008841600000000, 0.0003723100000000, 0.0010680900000000 ] - [ -0.0002585900000000, -0.0001908200000000, -0.0003930400000000 ] - [ 0.0007529200000000, -0.0006847200000000, 0.0003935600000000 ] - [ 0.0003152900000000, 0.0000590400000000, -0.0002635500000000 ] - [ -0.0004255600000000, -0.0007747400000000, 0.0003430600000000 ] - [ 0.0007756100000000, 0.0002090700000000, -0.0002875300000000 ] - [ -0.0001591000000000, -0.0024575700000000, -0.0007763600000000 ] - [ 0.0000961800000000, 0.0017028100000000, -0.0014855800000000 ] - [ -0.0015843000000000, -0.0027120300000000, 0.0045338700000000 ] - [ 0.0005857400000000, -0.0001042200000000, -0.0007905000000000 ] - [ -0.0004883200000000, 0.0005165200000000, -0.0003341500000000 ] - [ 0.0001321700000000, -0.0000437500000000, -0.0000832900000000 ] - [ -0.0002915400000000, 0.0000407600000000, 0.0016543400000000 ] - [ 0.0003059900000000, -0.0001340700000000, -0.0007345300000000 ] - [ -0.0039835900000000, -0.0028297500000000, 0.0119211800000000 ] - [ 0.0008488400000000, -0.0002653800000000, -0.0015183800000000 ] - [ -0.0004483500000000, 0.0000601500000000, -0.0000604100000000 ] - [ 0.0001748400000000, 0.0001381300000000, 0.0005546300000000 ] - [ -0.0068537300000000, -0.0028894800000000, 0.0082325200000000 ] - [ -0.0001053200000000, 0.0002457800000000, -0.0015720600000000 ] - [ -0.0003521300000000, -0.0001719800000000, 0.0003198300000000 ] - [ 0.0005884800000000, 0.0001467400000000, -0.0008590100000000 ] - [ 0.0000017700000000, -0.0001269800000000, 0.0005734100000000 ] - [ -0.0004935500000000, 0.0000204100000000, -0.0003977300000000 ] - [ -0.0005114900000000, 0.0001270100000000, 0.0008669700000000 ] - [ 0.0003031200000000, -0.0001786600000000, -0.0001992300000000 ] - [ -0.0003228800000000, 0.0000134500000000, -0.0003915600000000 ] - [ -0.0002371900000000, -0.0007898400000000, -0.0001799700000000 ] - [ 0.0005811200000000, -0.0009860800000000, 0.0003819000000000 ] - [ 0.0000885200000000, 0.0007311500000000, -0.0005662100000000 ] - [ 0.0015634900000000, -0.0024533400000000, 0.0062579600000000 ] - [ 0.0016221200000000, -0.0002358100000000, -0.0014359500000000 ] - [ 0.0017188200000000, 0.0016169200000000, 0.0001484200000000 ] - [ -0.0002608600000000, -0.0008530100000000, -0.0009907400000000 ] - [ -0.0007681000000000, -0.0002990400000000, 0.0023273100000000 ] - [ -0.0000372900000000, 0.0003499800000000, -0.0008090000000000 ] - [ 0.0005867600000000, 0.0002779100000000, 0.0000656100000000 ] - [ -0.0008978200000000, -0.0003587900000000, -0.0008887900000000 ] - [ 0.0007609500000000, -0.0003729400000000, 0.0014989800000000 ] - [ -0.0002556100000000, 0.0001008400000000, -0.0004740800000000 ] - [ -0.0001411600000000, -0.0000232600000000, 0.0003501100000000 ] - [ -0.0005464100000000, -0.0002154900000000, -0.0003465500000000 ] - [ 0.0000885200000000, -0.0011278800000000, 0.0010391800000000 ] - [ 0.0004758400000000, 0.0000749200000000, -0.0006518800000000 ] - [ 0.0008771900000000, 0.0005605000000000, 0.0000837900000000 ] - [ -0.0000805800000000, -0.0007225500000000, -0.0008085800000000 ] - [ -0.0002646400000000, 0.0001777900000000, 0.0000014400000000 ] - [ -0.0005271600000000, 0.0000560800000000, -0.0000945500000000 ] - [ 0.0004834600000000, -0.0001246000000000, 0.0002590200000000 ] - [ 0.0002027600000000, 0.0001284600000000, -0.0002384300000000 ] - [ 0.0000822400000000, -0.0000130700000000, -0.0003785700000000 ] - [ -0.0007044400000000, 0.0002349400000000, 0.0004838000000000 ] - [ -0.0001586400000000, 0.0000529000000000, 0.0002955900000000 ] - [ -0.0001607200000000, -0.0003076800000000, -0.0004221400000000 ] - [ 0.0000386100000000, -0.0002398100000000, 0.0000479600000000 ] - [ 0.0002409900000000, -0.0001158700000000, -0.0001330200000000 ] - [ -0.0001453000000000, -0.0001574500000000, -0.0001942000000000 ] - [ -0.0002389600000000, 0.0004373300000000, 0.0004128700000000 ] - [ 0.0000910800000000, 0.0000895500000000, 0.0001911100000000 ] - [ 0.0001703700000000, 0.0000891500000000, -0.0004991800000000 ] - [ 0.0005979100000000, 0.0002749100000000, 0.0001271300000000 ] - [ -0.0000371300000000, -0.0003249900000000, -0.0004629700000000 ] - [ -0.0002848500000000, -0.0002451800000000, 0.0011379900000000 ] - [ -0.0001524700000000, 0.0002740500000000, -0.0007213800000000 ] - [ 0.0010494400000000, -0.0013895300000000, 0.0013705800000000 ] - [ -0.0000199800000000, 0.0000803900000000, -0.0004628500000000 ] - [ -0.0001000800000000, -0.0002425800000000, -0.0003413400000000 ] - [ -0.0005465600000000, -0.0001669300000000, 0.0001786800000000 ] - [ -0.0004098500000000, 0.0007763400000000, 0.0004855500000000 ] - [ 0.0000627500000000, 0.0006243200000000, -0.0003482100000000 ] - [ 0.0001629300000000, -0.0005325500000000, 0.0000015500000000 ] - [ -0.0001239400000000, -0.0007369000000000, -0.0000846100000000 ] - [ -0.0004327600000000, -0.0005296800000000, 0.0000822500000000 ] - [ 0.0003735700000000, 0.0003176100000000, -0.0001025300000000 ] - [ -0.0000022300000000, 0.0003040100000000, 0.0001302100000000 ] - [ -0.0004092500000000, 0.0001248900000000, -0.0004768200000000 ] - [ 0.0029070700000000, 0.0004258200000000, -0.0034463300000000 ] - [ -0.0005206400000000, 0.0001714700000000, 0.0006153700000000 ] - [ -0.0008713100000000, 0.0008561900000000, 0.0009179800000000 ] - [ 0.0001448000000000, 0.0000266200000000, 0.0003445900000000 ] - [ 0.0034037300000000, 0.0028815200000000, -0.0033895200000000 ] - [ -0.0005639800000000, -0.0008927200000000, 0.0006696100000000 ] - [ -0.0009355500000000, 0.0022476000000000, 0.0042314600000000 ] - [ -0.0042968600000000, -0.0032996500000000, 0.0040685500000000 ] - [ 0.0003980600000000, -0.0003154300000000, -0.0008953700000000 ] - [ 0.0001413600000000, -0.0002605800000000, 0.0003342600000000 ] - [ 0.0003358600000000, -0.0002845700000000, -0.0004667300000000 ] - [ -0.0002315800000000, -0.0002994500000000, 0.0004745000000000 ] - [ 0.0017846900000000, 0.0013949000000000, -0.0015000100000000 ] - [ -0.0010646400000000, -0.0003054700000000, 0.0008519100000000 ] - [ 0.0005513600000000, 0.0009802700000000, -0.0001697500000000 ] - [ -0.0005380900000000, -0.0003992000000000, 0.0006537200000000 ] - [ -0.0004672200000000, 0.0005084300000000, -0.0009325700000000 ] - [ 0.0000684700000000, -0.0000246600000000, 0.0004993000000000 ] - [ 0.0001533700000000, -0.0000388300000000, 0.0002722400000000 ] - [ 0.0000813400000000, 0.0000428500000000, 0.0003766900000000 ] - [ -0.0001565800000000, -0.0003699400000000, -0.0004100900000000 ] - [ 0.0006077800000000, 0.0003069500000000, 0.0003993900000000 ] - [ -0.0002454400000000, -0.0001271500000000, 0.0000972700000000 ] - [ 0.0000772500000000, 0.0000351900000000, 0.0004850700000000 ] - [ -0.0025325200000000, 0.0036995100000000, -0.0051969600000000 ] - [ 0.0004612600000000, -0.0007777500000000, 0.0007560700000000 ] - [ -0.0003623400000000, 0.0003231300000000, -0.0005750700000000 ] - [ -0.0000630800000000, -0.0003674800000000, 0.0004886200000000 ] - [ -0.0005386600000000, 0.0001038600000000, -0.0003988400000000 ] - [ 0.0003124300000000, 0.0006715300000000, 0.0005697700000000 ] - [ -0.0001468900000000, 0.0000467500000000, 0.0003261500000000 ] - [ 0.0018495400000000, 0.0019472200000000, 0.0023650600000000 ] - [ -0.0008260600000000, -0.0017703300000000, -0.0028312900000000 ] - [ 0.0000983800000000, 0.0001026100000000, 0.0009492700000000 ] - [ -0.0002797300000000, -0.0002068900000000, -0.0005877500000000 ] - [ -0.0000877300000000, 0.0000413100000000, 0.0002435700000000 ] - [ -0.0004526600000000, -0.0000587900000000, -0.0003441600000000 ] - [ -0.0000349700000000, -0.0002106300000000, -0.0000104700000000 ] - [ -0.0012520300000000, 0.0005988900000000, 0.0016172600000000 ] - [ 0.0035773400000000, -0.0014305100000000, 0.0030733900000000 ] - [ 0.0104239600000000, 0.0115454500000000, -0.0388266000000000 ] - [ -0.0000685400000000, -0.0000895800000000, 0.0012697200000000 ] - [ -0.0015639800000000, 0.0001094800000000, -0.0002780000000000 ] - [ 0.0006020600000000, -0.0002659000000000, 0.0018147700000000 ] - [ 0.0006225100000000, -0.0003598800000000, -0.0007792800000000 ] - [ -0.0003066700000000, 0.0001918300000000, 0.0005099300000000 ] - [ -0.0003641200000000, -0.0021436900000000, 0.0027605800000000 ] - [ -0.0007593700000000, 0.0030276100000000, 0.0026751700000000 ] - [ 0.0000964600000000, -0.0000612900000000, -0.0007303900000000 ] - [ 0.0001839400000000, 0.0000594300000000, 0.0008977500000000 ] - [ 0.0000556900000000, -0.0027469500000000, -0.0008047400000000 ] - [ -0.0006085900000000, 0.0005948400000000, 0.0010242900000000 ] - [ -0.0001565500000000, -0.0006889000000000, -0.0002398500000000 ] - [ -0.0002763800000000, -0.0000735600000000, 0.0000983400000000 ] - [ 0.0002816400000000, -0.0000751800000000, 0.0001982500000000 ] - [ 0.0000719200000000, -0.0000932000000000, 0.0003683500000000 ] - [ 0.0000075700000000, -0.0000050800000000, -0.0007324000000000 ] - [ 0.0003069800000000, 0.0000367700000000, 0.0001797000000000 ] - [ -0.0002596700000000, 0.0000505100000000, -0.0003345500000000 ] - [ -0.0002160000000000, -0.0000923100000000, 0.0007118000000000 ] - [ -0.0006580000000000, 0.0005622100000000, -0.0003964700000000 ] - [ 0.0002243700000000, -0.0002009000000000, 0.0004615200000000 ] - [ 0.0003091100000000, 0.0001740800000000, -0.0000422200000000 ] - [ 0.0000203200000000, 0.0000694800000000, -0.0001238400000000 ]- atom: 121 displacement: [ 0.0026967483687124, 0.0000000000000000, -0.0096295144340640 ] forces: - [ 0.0003240900000000, 0.0000903400000000, -0.0003416100000000 ] - [ -0.0001463900000000, -0.0003924300000000, 0.0002052600000000 ] - [ -0.0001306300000000, -0.0000344400000000, -0.0004063900000000 ] - [ 0.0000849000000000, 0.0001055100000000, 0.0002923800000000 ] - [ 0.0001710500000000, -0.0005479600000000, -0.0010909900000000 ] - [ -0.0004603200000000, -0.0000050900000000, 0.0003495200000000 ] - [ -0.0000210900000000, 0.0004998300000000, -0.0003586900000000 ] - [ 0.0004030800000000, -0.0002343000000000, 0.0002879000000000 ] - [ 0.0011522900000000, 0.0009634000000000, -0.0003106300000000 ] - [ -0.0000525000000000, -0.0000132300000000, 0.0003289000000000 ] - [ -0.0005499900000000, 0.0026539600000000, 0.0007456000000000 ] - [ -0.0008192200000000, -0.0015217000000000, 0.0014520600000000 ] - [ 0.0020592000000000, 0.0029896600000000, -0.0045925700000000 ] - [ -0.0001389900000000, 0.0003157400000000, 0.0007552200000000 ] - [ 0.0000279400000000, -0.0003131300000000, 0.0003830500000000 ] - [ -0.0005745900000000, 0.0002593700000000, 0.0001174300000000 ] - [ -0.0001611000000000, -0.0002556700000000, -0.0016203400000000 ] - [ -0.0007460900000000, -0.0000813800000000, 0.0007636500000000 ] - [ 0.0041802900000000, 0.0024476500000000, -0.0113660900000000 ] - [ -0.0003864600000000, 0.0000652800000000, 0.0014723400000000 ] - [ 0.0000792000000000, 0.0000961300000000, 0.0004027200000000 ] - [ -0.0005316200000000, 0.0000276200000000, -0.0001974000000000 ] - [ 0.0075709300000000, 0.0031388500000000, -0.0087843500000000 ] - [ 0.0004505200000000, -0.0000685000000000, 0.0011982600000000 ] - [ 0.0007665800000000, 0.0000641000000000, -0.0006013400000000 ] - [ -0.0002339700000000, -0.0003156800000000, 0.0004978300000000 ] - [ -0.0003640800000000, -0.0000340300000000, -0.0002233600000000 ] - [ 0.0001334500000000, -0.0001855500000000, 0.0007509100000000 ] - [ 0.0009833900000000, -0.0005018000000000, -0.0006375200000000 ] - [ 0.0001910900000000, -0.0002139700000000, 0.0004348900000000 ] - [ -0.0001698500000000, -0.0004088600000000, 0.0001654400000000 ] - [ -0.0002634300000000, 0.0003883500000000, -0.0000549200000000 ] - [ -0.0006025700000000, 0.0021799000000000, -0.0003576200000000 ] - [ -0.0000779400000000, 0.0004657800000000, 0.0005602700000000 ] - [ -0.0017081700000000, 0.0012533300000000, -0.0064825000000000 ] - [ -0.0016247800000000, -0.0009644800000000, 0.0014348100000000 ] - [ -0.0012071700000000, -0.0012044400000000, 0.0000805200000000 ] - [ 0.0007486800000000, 0.0012374200000000, 0.0012184800000000 ] - [ 0.0002700600000000, 0.0006991600000000, -0.0025615000000000 ] - [ -0.0004558400000000, 0.0000435300000000, 0.0005686200000000 ] - [ -0.0005777900000000, -0.0003788100000000, -0.0000614900000000 ] - [ 0.0008902100000000, 0.0002615100000000, 0.0008814500000000 ] - [ -0.0007656100000000, 0.0004798700000000, -0.0015033600000000 ] - [ 0.0002721400000000, 0.0000100500000000, 0.0004919600000000 ] - [ -0.0005747400000000, -0.0001522800000000, -0.0003741600000000 ] - [ -0.0001756800000000, 0.0000480900000000, 0.0003279400000000 ] - [ 0.0006314300000000, 0.0009422600000000, -0.0009961200000000 ] - [ 0.0002396300000000, -0.0002744700000000, 0.0006999300000000 ] - [ -0.0001459000000000, -0.0003629500000000, -0.0000372500000000 ] - [ 0.0008156800000000, 0.0009068900000000, 0.0008436600000000 ] - [ -0.0004538900000000, -0.0000053100000000, -0.0000241900000000 ] - [ -0.0001855800000000, 0.0001129400000000, 0.0000746700000000 ] - [ -0.0000220600000000, 0.0003253400000000, -0.0003086600000000 ] - [ 0.0002614600000000, 0.0000735700000000, 0.0001883800000000 ] - [ -0.0005227400000000, 0.0002295000000000, 0.0004079100000000 ] - [ 0.0002646300000000, -0.0000172800000000, -0.0004519100000000 ] - [ -0.0002755000000000, -0.0002740300000000, -0.0002722200000000 ] - [ -0.0002810400000000, 0.0000908600000000, 0.0004520400000000 ] - [ 0.0004310600000000, 0.0000428000000000, -0.0001017900000000 ] - [ 0.0002214000000000, -0.0000858000000000, 0.0000819800000000 ] - [ -0.0002046200000000, 0.0003297100000000, 0.0005585400000000 ] - [ -0.0001190400000000, -0.0002702100000000, -0.0000524900000000 ] - [ 0.0002741600000000, 0.0000689000000000, -0.0005322000000000 ] - [ 0.0001922200000000, 0.0000720700000000, 0.0001535600000000 ] - [ -0.0002416400000000, -0.0004425600000000, -0.0004868800000000 ] - [ 0.0003984900000000, 0.0001619000000000, 0.0001104500000000 ] - [ -0.0000649700000000, 0.0000737300000000, -0.0007756200000000 ] - [ -0.0002106700000000, -0.0004334000000000, 0.0010678800000000 ] - [ -0.0005693800000000, 0.0010076600000000, -0.0011459600000000 ] - [ 0.0005107400000000, -0.0004749200000000, 0.0006797700000000 ] - [ -0.0003939900000000, -0.0001479700000000, 0.0000970900000000 ] - [ 0.0000468100000000, -0.0002323800000000, -0.0004129000000000 ] - [ 0.0004002700000000, 0.0004179200000000, -0.0004732800000000 ] - [ -0.0000777600000000, 0.0005721000000000, 0.0003578800000000 ] - [ -0.0001813600000000, -0.0006683800000000, 0.0000105600000000 ] - [ 0.0001053500000000, -0.0004584500000000, 0.0000996800000000 ] - [ 0.0009022400000000, 0.0008984700000000, 0.0001449600000000 ] - [ 0.0001126800000000, 0.0000699700000000, 0.0003277000000000 ] - [ -0.0004987900000000, 0.0000946800000000, -0.0003736900000000 ] - [ -0.0000906900000000, 0.0002729000000000, 0.0002369200000000 ] - [ -0.0032257400000000, -0.0002162400000000, 0.0035880800000000 ] - [ 0.0001918600000000, 0.0000492800000000, -0.0004657300000000 ] - [ 0.0012072100000000, -0.0006424100000000, -0.0010599500000000 ] - [ 0.0001909000000000, 0.0001943100000000, -0.0004842200000000 ] - [ -0.0030556100000000, -0.0031038500000000, 0.0032827700000000 ] - [ 0.0008884800000000, 0.0006727500000000, -0.0008155900000000 ] - [ 0.0005931600000000, -0.0024804100000000, -0.0041107200000000 ] - [ 0.0039448700000000, 0.0030717700000000, -0.0038714900000000 ] - [ -0.0000698900000000, -0.0002546000000000, 0.0008039200000000 ] - [ 0.0001826900000000, -0.0003097900000000, -0.0004207300000000 ] - [ -0.0006571300000000, -0.0002844800000000, 0.0005509100000000 ] - [ -0.0000948100000000, -0.0002739700000000, -0.0003836000000000 ] - [ -0.0021273300000000, -0.0008197000000000, 0.0016060900000000 ] - [ 0.0007358200000000, 0.0008719400000000, -0.0007642600000000 ] - [ -0.0002265900000000, -0.0004120800000000, 0.0000851000000000 ] - [ 0.0008584700000000, 0.0009666200000000, -0.0007326800000000 ] - [ 0.0001353000000000, -0.0002885500000000, 0.0010819000000000 ] - [ -0.0004019600000000, 0.0002452100000000, -0.0003551400000000 ] - [ 0.0001713200000000, 0.0002718600000000, -0.0004358100000000 ] - [ 0.0002490000000000, 0.0001752100000000, -0.0005216400000000 ] - [ 0.0004852000000000, 0.0001514700000000, 0.0002645300000000 ] - [ -0.0002703700000000, -0.0005219500000000, -0.0005447400000000 ] - [ -0.0000873900000000, -0.0000938100000000, 0.0000475700000000 ] - [ -0.0004076100000000, -0.0002535900000000, -0.0003322300000000 ] - [ 0.0028528800000000, -0.0042864300000000, 0.0051351300000000 ] - [ -0.0001363500000000, 0.0002014300000000, -0.0008457800000000 ] - [ 0.0000318500000000, -0.0008990600000000, 0.0006553200000000 ] - [ -0.0002578100000000, -0.0001988700000000, -0.0003981000000000 ] - [ 0.0002137100000000, 0.0004666900000000, 0.0004819800000000 ] - [ -0.0006302200000000, -0.0001004600000000, -0.0004823300000000 ] - [ 0.0004755300000000, 0.0005225300000000, -0.0004107300000000 ] - [ -0.0015264800000000, -0.0013797400000000, -0.0024468400000000 ] - [ 0.0011748500000000, 0.0018818800000000, 0.0031669800000000 ] - [ 0.0002682800000000, 0.0000194300000000, -0.0006020100000000 ] - [ -0.0000838500000000, 0.0003193900000000, 0.0002500300000000 ] - [ -0.0002780600000000, 0.0000715400000000, -0.0005866100000000 ] - [ 0.0000884300000000, -0.0000546500000000, 0.0000071300000000 ] - [ -0.0003296100000000, 0.0000973600000000, -0.0003306300000000 ] - [ 0.0016193500000000, -0.0007119000000000, -0.0012765800000000 ] - [ -0.0031723500000000, 0.0013034200000000, -0.0027056900000000 ] - [ -0.0101386900000000, -0.0116706400000000, 0.0381288100000000 ] - [ 0.0003673800000000, 0.0000112400000000, -0.0016183600000000 ] - [ 0.0012526900000000, -0.0001908000000000, 0.0006288600000000 ] - [ -0.0009048500000000, 0.0001822800000000, -0.0014560300000000 ] - [ -0.0009188300000000, 0.0004416800000000, 0.0011327000000000 ] - [ -0.0000012400000000, -0.0001071900000000, -0.0001547900000000 ] - [ 0.0006686300000000, 0.0022500800000000, -0.0031327000000000 ] - [ 0.0010483000000000, -0.0029181500000000, -0.0030011200000000 ] - [ 0.0002757500000000, 0.0001806100000000, 0.0010701000000000 ] - [ 0.0001797600000000, 0.0000581800000000, -0.0005557900000000 ] - [ -0.0004170600000000, 0.0028448100000000, 0.0004490300000000 ] - [ 0.0002456600000000, -0.0004812200000000, -0.0013598000000000 ] - [ -0.0002093600000000, 0.0005701700000000, -0.0001044600000000 ] - [ -0.0000889700000000, -0.0000463700000000, -0.0004414900000000 ] - [ 0.0000849000000000, -0.0000404800000000, 0.0001463100000000 ] - [ 0.0002919900000000, -0.0000242100000000, -0.0000349200000000 ] - [ 0.0002883200000000, -0.0000732600000000, 0.0003825100000000 ] - [ -0.0000102400000000, -0.0001223900000000, -0.0005313800000000 ] - [ -0.0000504200000000, -0.0001325900000000, 0.0006876700000000 ] - [ -0.0000847000000000, 0.0000069500000000, -0.0003519600000000 ] - [ 0.0003523200000000, -0.0004789700000000, 0.0007551800000000 ] - [ -0.0005201700000000, 0.0002802500000000, -0.0001081500000000 ] - [ -0.0000129400000000, -0.0000935400000000, -0.0003094400000000 ] - [ 0.0002746400000000, 0.0000132600000000, -0.0002334100000000 ]