# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/9be6619c-f7da-449f-b85a-03b35e2f371f/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 Nd4CuTe5(ClO5)3 / C2 (5) / materials id 683957](https://mdr.nims.go.jp/datasets/69f37401-de91-4f32-bc79-49227fe73da5) ## 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" number: 5 Hall_symbol: "C 2y"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, 1 ]primitive_cell: lattice: - [ 11.453409580000001, -2.817611400000000, -0.005726035000000 ] # a - [ 11.453409580000001, 2.817611400000000, -0.005726035000000 ] # b - [ -10.134711110000000, 0.000000000000000, 14.396021630000000 ] # c points: - symbol: Nd # 1 coordinates: [ 0.771309620000000, 0.228690380000000, 0.500000000000000 ] mass: 144.242000 - symbol: Nd # 2 coordinates: [ 0.225073090000000, 0.595251610000000, 0.573207060000000 ] mass: 144.242000 - symbol: Nd # 3 coordinates: [ 0.039112720000000, 0.378580800000000, 0.628621720000000 ] mass: 144.242000 - symbol: Nd # 4 coordinates: [ 0.246886270000000, 0.590960810000000, 0.801654640000000 ] mass: 144.242000 - symbol: Nd # 5 coordinates: [ 0.815048060000000, 0.184951940000000, 0.000000000000000 ] mass: 144.242000 - symbol: Nd # 6 coordinates: [ 0.621419200000000, 0.960887280000000, 0.371378280000000 ] mass: 144.242000 - symbol: Nd # 7 coordinates: [ 0.404748390000000, 0.774926910000000, 0.426792940000000 ] mass: 144.242000 - symbol: Nd # 8 coordinates: [ 0.409039190000000, 0.753113730000000, 0.198345360000000 ] mass: 144.242000 - symbol: Cu # 9 coordinates: [ 0.341970420000000, 0.244211080000000, 0.090274770000000 ] mass: 63.546000 - symbol: Cu # 10 coordinates: [ 0.755788920000000, 0.658029580000000, 0.909725230000000 ] mass: 63.546000 - symbol: Te # 11 coordinates: [ 0.199479370000000, 0.578905930000000, 0.349339850000000 ] mass: 127.600000 - symbol: Te # 12 coordinates: [ 0.528691240000000, 0.065277980000000, 0.589195710000000 ] mass: 127.600000 - symbol: Te # 13 coordinates: [ 0.855087470000000, 0.133777150000000, 0.264174740000000 ] mass: 127.600000 - symbol: Te # 14 coordinates: [ 0.934722020000000, 0.471308760000000, 0.410804290000000 ] mass: 127.600000 - symbol: Te # 15 coordinates: [ 0.351687480000000, 0.841406000000000, 0.976454060000000 ] mass: 127.600000 - symbol: Te # 16 coordinates: [ 0.421094070000000, 0.800520630000000, 0.650660150000000 ] mass: 127.600000 - symbol: Te # 17 coordinates: [ 0.061798890000000, 0.322529510000000, 0.182920460000000 ] mass: 127.600000 - symbol: Te # 18 coordinates: [ 0.158594000000000, 0.648312520000000, 0.023545940000000 ] mass: 127.600000 - symbol: Te # 19 coordinates: [ 0.866222850000000, 0.144912530000000, 0.735825260000000 ] mass: 127.600000 - symbol: Te # 20 coordinates: [ 0.677470490000000, 0.938201110000000, 0.817079540000000 ] mass: 127.600000 - symbol: Cl # 21 coordinates: [ 0.932656950000000, 0.446619470000000, 0.780032400000000 ] mass: 35.453000 - symbol: Cl # 22 coordinates: [ 0.637007110000000, 0.974123070000000, 0.005009040000000 ] mass: 35.453000 - symbol: Cl # 23 coordinates: [ 0.025876930000000, 0.362992890000000, 0.994990960000000 ] mass: 35.453000 - symbol: Cl # 24 coordinates: [ 0.239540020000000, 0.559691800000000, 0.175643750000000 ] mass: 35.453000 - symbol: Cl # 25 coordinates: [ 0.440308200000000, 0.760459980000000, 0.824356250000000 ] mass: 35.453000 - symbol: Cl # 26 coordinates: [ 0.553380530000000, 0.067343050000000, 0.219967600000000 ] mass: 35.453000 - symbol: O # 27 coordinates: [ 0.967659610000000, 0.842415510000000, 0.435139020000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.435114740000000, 0.197746940000000, 0.504552540000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.655088060000000, 0.580260060000000, 0.574786440000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.476380110000000, 0.465778050000000, 0.064463960000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.414494990000000, 0.553155130000000, 0.404791670000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.802253060000000, 0.564885260000000, 0.495447460000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.655362190000000, 0.459284530000000, 0.300305730000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.939869200000000, 0.080067940000000, 0.380623190000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.061604790000000, 0.981451610000000, 0.894556500000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.316706730000000, 0.083724150000000, 0.517575590000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.016982600000000, 0.846678320000000, 0.701671640000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.919932060000000, 0.060130800000000, 0.619376810000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.613455410000000, 0.746929290000000, 0.349311740000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.540715470000000, 0.344637810000000, 0.699694270000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.569465380000000, 0.207966080000000, 0.850199240000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.157584490000000, 0.032340390000000, 0.564860980000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.433841100000000, 0.039570720000000, 0.708275180000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.287806670000000, 0.090202770000000, 0.259686260000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.018548390000000, 0.938395210000000, 0.105443500000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.792033920000000, 0.430534620000000, 0.149800760000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.253070710000000, 0.386544590000000, 0.650688260000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.419739940000000, 0.344911940000000, 0.425213560000000 ] mass: 15.999400 - symbol: O # 49 coordinates: [ 0.153321680000000, 0.983017400000000, 0.298328360000000 ] mass: 15.999400 - symbol: O # 50 coordinates: [ 0.534221950000000, 0.523619890000000, 0.935536040000000 ] mass: 15.999400 - symbol: O # 51 coordinates: [ 0.916275850000000, 0.683293270000000, 0.482424410000000 ] mass: 15.999400 - symbol: O # 52 coordinates: [ 0.909797230000000, 0.712193330000000, 0.740313740000000 ] mass: 15.999400 - symbol: O # 53 coordinates: [ 0.046436090000000, 0.775029970000000, 0.924780530000000 ] mass: 15.999400 - symbol: O # 54 coordinates: [ 0.224970030000000, 0.953563910000000, 0.075219470000000 ] mass: 15.999400 - symbol: O # 55 coordinates: [ 0.960429280000000, 0.566158900000000, 0.291724820000000 ] mass: 15.999400 - symbol: O # 56 coordinates: [ 0.446844870000000, 0.585505010000000, 0.595208330000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.043670492734041, -0.177455272930824, 0.030743759579282 ] # a* - [ 0.043670492734041, 0.177455272930824, 0.030743759579282 ] # b* - [ 0.000034739982516, 0.000000000000000, 0.069488092293646 ] # c*unit_cell: lattice: - [ 22.906819160000001, 0.000000000000000, -0.011452070000000 ] # a - [ 0.000000000000000, 5.635222800000000, 0.000000000000000 ] # b - [ -10.134711110000000, 0.000000000000000, 14.396021630000000 ] # c points: - symbol: Nd # 1 coordinates: [ 0.500000000000000, 0.728690380000000, 0.500000000000000 ] mass: 144.242000 reduced_to: 1 - symbol: Nd # 2 coordinates: [ 0.410162350000000, 0.185089260000000, 0.573207060000000 ] mass: 144.242000 reduced_to: 2 - symbol: Nd # 3 coordinates: [ 0.708846760000000, 0.669734040000000, 0.628621720000000 ] mass: 144.242000 reduced_to: 3 - symbol: Nd # 4 coordinates: [ 0.418923540000000, 0.172037270000000, 0.801654640000000 ] mass: 144.242000 reduced_to: 4 - symbol: Nd # 5 coordinates: [ 0.000000000000000, 0.184951940000000, 0.000000000000000 ] mass: 144.242000 reduced_to: 5 - symbol: Nd # 6 coordinates: [ 0.291153240000000, 0.669734040000000, 0.371378280000000 ] mass: 144.242000 reduced_to: 6 - symbol: Nd # 7 coordinates: [ 0.589837650000000, 0.185089260000000, 0.426792940000000 ] mass: 144.242000 reduced_to: 7 - symbol: Nd # 8 coordinates: [ 0.581076460000000, 0.172037270000000, 0.198345360000000 ] mass: 144.242000 reduced_to: 8 - symbol: Nd # 9 coordinates: [ 0.000000000000000, 0.228690380000000, 0.500000000000000 ] mass: 144.242000 reduced_to: 1 - symbol: Nd # 10 coordinates: [ 0.910162350000000, 0.685089260000000, 0.573207060000000 ] mass: 144.242000 reduced_to: 2 - symbol: Nd # 11 coordinates: [ 0.208846760000000, 0.169734040000000, 0.628621720000000 ] mass: 144.242000 reduced_to: 3 - symbol: Nd # 12 coordinates: [ 0.918923540000000, 0.672037270000000, 0.801654640000000 ] mass: 144.242000 reduced_to: 4 - symbol: Nd # 13 coordinates: [ 0.500000000000000, 0.684951940000000, 0.000000000000000 ] mass: 144.242000 reduced_to: 5 - symbol: Nd # 14 coordinates: [ 0.791153240000000, 0.169734040000000, 0.371378280000000 ] mass: 144.242000 reduced_to: 6 - symbol: Nd # 15 coordinates: [ 0.089837650000000, 0.685089260000000, 0.426792940000000 ] mass: 144.242000 reduced_to: 7 - symbol: Nd # 16 coordinates: [ 0.081076460000000, 0.672037270000000, 0.198345360000000 ] mass: 144.242000 reduced_to: 8 - symbol: Cu # 17 coordinates: [ 0.293090750000000, 0.951120330000000, 0.090274770000000 ] mass: 63.546000 reduced_to: 17 - symbol: Cu # 18 coordinates: [ 0.706909250000000, 0.951120330000000, 0.909725230000000 ] mass: 63.546000 reduced_to: 18 - symbol: Cu # 19 coordinates: [ 0.793090750000000, 0.451120330000000, 0.090274770000000 ] mass: 63.546000 reduced_to: 17 - symbol: Cu # 20 coordinates: [ 0.206909250000000, 0.451120330000000, 0.909725230000000 ] mass: 63.546000 reduced_to: 18 - symbol: Te # 21 coordinates: [ 0.389192650000000, 0.189713280000000, 0.349339850000000 ] mass: 127.600000 reduced_to: 21 - symbol: Te # 22 coordinates: [ 0.296984610000000, 0.768293370000000, 0.589195710000000 ] mass: 127.600000 reduced_to: 22 - symbol: Te # 23 coordinates: [ 0.494432310000000, 0.639344840000000, 0.264174740000000 ] mass: 127.600000 reduced_to: 23 - symbol: Te # 24 coordinates: [ 0.703015390000000, 0.768293370000000, 0.410804290000000 ] mass: 127.600000 reduced_to: 24 - symbol: Te # 25 coordinates: [ 0.596546740000000, 0.244859260000000, 0.976454060000000 ] mass: 127.600000 reduced_to: 25 - symbol: Te # 26 coordinates: [ 0.610807350000000, 0.189713280000000, 0.650660150000000 ] mass: 127.600000 reduced_to: 26 - symbol: Te # 27 coordinates: [ 0.192164200000000, 0.130365310000000, 0.182920460000000 ] mass: 127.600000 reduced_to: 27 - symbol: Te # 28 coordinates: [ 0.403453260000000, 0.244859260000000, 0.023545940000000 ] mass: 127.600000 reduced_to: 28 - symbol: Te # 29 coordinates: [ 0.505567690000000, 0.639344840000000, 0.735825260000000 ] mass: 127.600000 reduced_to: 29 - symbol: Te # 30 coordinates: [ 0.807835800000000, 0.130365310000000, 0.817079540000000 ] mass: 127.600000 reduced_to: 30 - symbol: Te # 31 coordinates: [ 0.889192650000000, 0.689713280000000, 0.349339850000000 ] mass: 127.600000 reduced_to: 21 - symbol: Te # 32 coordinates: [ 0.796984610000000, 0.268293370000000, 0.589195710000000 ] mass: 127.600000 reduced_to: 22 - symbol: Te # 33 coordinates: [ 0.994432310000000, 0.139344840000000, 0.264174740000000 ] mass: 127.600000 reduced_to: 23 - symbol: Te # 34 coordinates: [ 0.203015390000000, 0.268293370000000, 0.410804290000000 ] mass: 127.600000 reduced_to: 24 - symbol: Te # 35 coordinates: [ 0.096546740000000, 0.744859260000000, 0.976454060000000 ] mass: 127.600000 reduced_to: 25 - symbol: Te # 36 coordinates: [ 0.110807350000000, 0.689713280000000, 0.650660150000000 ] mass: 127.600000 reduced_to: 26 - symbol: Te # 37 coordinates: [ 0.692164200000000, 0.630365310000000, 0.182920460000000 ] mass: 127.600000 reduced_to: 27 - symbol: Te # 38 coordinates: [ 0.903453260000000, 0.744859260000000, 0.023545940000000 ] mass: 127.600000 reduced_to: 28 - symbol: Te # 39 coordinates: [ 0.005567690000000, 0.139344840000000, 0.735825260000000 ] mass: 127.600000 reduced_to: 29 - symbol: Te # 40 coordinates: [ 0.307835800000000, 0.630365310000000, 0.817079540000000 ] mass: 127.600000 reduced_to: 30 - symbol: Cl # 41 coordinates: [ 0.689638210000000, 0.756981260000000, 0.780032400000000 ] mass: 35.453000 reduced_to: 41 - symbol: Cl # 42 coordinates: [ 0.305565090000000, 0.668557980000000, 0.005009040000000 ] mass: 35.453000 reduced_to: 42 - symbol: Cl # 43 coordinates: [ 0.694434910000000, 0.668557980000000, 0.994990960000000 ] mass: 35.453000 reduced_to: 43 - symbol: Cl # 44 coordinates: [ 0.399615910000000, 0.160075890000000, 0.175643750000000 ] mass: 35.453000 reduced_to: 44 - symbol: Cl # 45 coordinates: [ 0.600384090000000, 0.160075890000000, 0.824356250000000 ] mass: 35.453000 reduced_to: 45 - symbol: Cl # 46 coordinates: [ 0.310361790000000, 0.756981260000000, 0.219967600000000 ] mass: 35.453000 reduced_to: 46 - symbol: Cl # 47 coordinates: [ 0.189638210000000, 0.256981260000000, 0.780032400000000 ] mass: 35.453000 reduced_to: 41 - symbol: Cl # 48 coordinates: [ 0.805565090000000, 0.168557980000000, 0.005009040000000 ] mass: 35.453000 reduced_to: 42 - symbol: Cl # 49 coordinates: [ 0.194434910000000, 0.168557980000000, 0.994990960000000 ] mass: 35.453000 reduced_to: 43 - symbol: Cl # 50 coordinates: [ 0.899615910000000, 0.660075890000000, 0.175643750000000 ] mass: 35.453000 reduced_to: 44 - symbol: Cl # 51 coordinates: [ 0.100384090000000, 0.660075890000000, 0.824356250000000 ] mass: 35.453000 reduced_to: 45 - symbol: Cl # 52 coordinates: [ 0.810361790000000, 0.256981260000000, 0.219967600000000 ] mass: 35.453000 reduced_to: 46 - symbol: O # 53 coordinates: [ 0.405037560000000, 0.437377950000000, 0.435139020000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.316430840000000, 0.881316100000000, 0.504552540000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.617674060000000, 0.962586000000000, 0.574786440000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.471079080000000, 0.994698970000000, 0.064463960000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.483825060000000, 0.069330070000000, 0.404791670000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.683569160000000, 0.881316100000000, 0.495447460000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.557323360000000, 0.901961170000000, 0.300305730000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.509968570000000, 0.570099370000000, 0.380623190000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.521528200000000, 0.459923410000000, 0.894556500000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.700215440000000, 0.383508710000000, 0.517575590000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.431830460000000, 0.414847860000000, 0.701671640000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.490031430000000, 0.570099370000000, 0.619376810000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.180192350000000, 0.566736940000000, 0.349311740000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.442676640000000, 0.901961170000000, 0.699694270000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.888715730000000, 0.319250350000000, 0.850199240000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.594962440000000, 0.437377950000000, 0.564860980000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.736705910000000, 0.302864810000000, 0.708275180000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.189004720000000, 0.901198050000000, 0.259686260000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.478471800000000, 0.459923410000000, 0.105443500000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.111284270000000, 0.319250350000000, 0.149800760000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 73 coordinates: [ 0.819807650000000, 0.566736940000000, 0.650688260000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.382325940000000, 0.962586000000000, 0.425213560000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 75 coordinates: [ 0.568169540000000, 0.414847860000000, 0.298328360000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.528920920000000, 0.994698970000000, 0.935536040000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.299784560000000, 0.383508710000000, 0.482424410000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.810995280000000, 0.901198050000000, 0.740313740000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 79 coordinates: [ 0.910733030000000, 0.864296940000000, 0.924780530000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.089266970000000, 0.864296940000000, 0.075219470000000 ] mass: 15.999400 reduced_to: 80 - symbol: O # 81 coordinates: [ 0.263294090000000, 0.302864810000000, 0.291724820000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.516174940000000, 0.069330070000000, 0.595208330000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 83 coordinates: [ 0.905037560000000, 0.937377950000000, 0.435139020000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 84 coordinates: [ 0.816430840000000, 0.381316100000000, 0.504552540000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 85 coordinates: [ 0.117674060000000, 0.462586000000000, 0.574786440000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 86 coordinates: [ 0.971079080000000, 0.494698970000000, 0.064463960000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 87 coordinates: [ 0.983825060000000, 0.569330070000000, 0.404791670000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 88 coordinates: [ 0.183569160000000, 0.381316100000000, 0.495447460000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 89 coordinates: [ 0.057323360000000, 0.401961170000000, 0.300305730000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 90 coordinates: [ 0.009968570000000, 0.070099370000000, 0.380623190000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 91 coordinates: [ 0.021528200000000, 0.959923410000000, 0.894556500000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 92 coordinates: [ 0.200215440000000, 0.883508710000000, 0.517575590000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 93 coordinates: [ 0.931830460000000, 0.914847860000000, 0.701671640000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 94 coordinates: [ 0.990031430000000, 0.070099370000000, 0.619376810000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 95 coordinates: [ 0.680192350000000, 0.066736940000000, 0.349311740000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 96 coordinates: [ 0.942676640000000, 0.401961170000000, 0.699694270000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 97 coordinates: [ 0.388715730000000, 0.819250350000000, 0.850199240000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 98 coordinates: [ 0.094962440000000, 0.937377950000000, 0.564860980000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 99 coordinates: [ 0.236705910000000, 0.802864810000000, 0.708275180000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 100 coordinates: [ 0.689004720000000, 0.401198050000000, 0.259686260000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 101 coordinates: [ 0.978471800000000, 0.959923410000000, 0.105443500000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 102 coordinates: [ 0.611284270000000, 0.819250350000000, 0.149800760000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 103 coordinates: [ 0.319807650000000, 0.066736940000000, 0.650688260000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 104 coordinates: [ 0.882325940000000, 0.462586000000000, 0.425213560000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 105 coordinates: [ 0.068169540000000, 0.914847860000000, 0.298328360000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 106 coordinates: [ 0.028920920000000, 0.494698970000000, 0.935536040000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 107 coordinates: [ 0.799784560000000, 0.883508710000000, 0.482424410000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 108 coordinates: [ 0.310995280000000, 0.401198050000000, 0.740313740000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 109 coordinates: [ 0.410733030000000, 0.364296940000000, 0.924780530000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 110 coordinates: [ 0.589266970000000, 0.364296940000000, 0.075219470000000 ] mass: 15.999400 reduced_to: 80 - symbol: O # 111 coordinates: [ 0.763294090000000, 0.802864810000000, 0.291724820000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 112 coordinates: [ 0.016174940000000, 0.569330070000000, 0.595208330000000 ] mass: 15.999400 reduced_to: 82supercell: lattice: - [ 22.906819160000001, 0.000000000000000, -0.011452070000000 ] # a - [ 0.000000000000000, 5.635222800000000, 0.000000000000000 ] # b - [ -10.134711110000000, 0.000000000000000, 14.396021630000000 ] # c points: - symbol: Nd # 1 coordinates: [ 0.500000000000000, 0.728690380000000, 0.500000000000000 ] mass: 144.242000 reduced_to: 1 - symbol: Nd # 2 coordinates: [ 0.410162350000000, 0.185089260000000, 0.573207060000000 ] mass: 144.242000 reduced_to: 2 - symbol: Nd # 3 coordinates: [ 0.708846760000000, 0.669734040000000, 0.628621720000000 ] mass: 144.242000 reduced_to: 3 - symbol: Nd # 4 coordinates: [ 0.418923540000000, 0.172037270000000, 0.801654640000000 ] mass: 144.242000 reduced_to: 4 - symbol: Nd # 5 coordinates: [ 0.000000000000000, 0.184951940000000, 0.000000000000000 ] mass: 144.242000 reduced_to: 5 - symbol: Nd # 6 coordinates: [ 0.291153240000000, 0.669734040000000, 0.371378280000000 ] mass: 144.242000 reduced_to: 6 - symbol: Nd # 7 coordinates: [ 0.589837650000000, 0.185089260000000, 0.426792940000000 ] mass: 144.242000 reduced_to: 7 - symbol: Nd # 8 coordinates: [ 0.581076460000000, 0.172037270000000, 0.198345360000000 ] mass: 144.242000 reduced_to: 8 - symbol: Nd # 9 coordinates: [ 0.000000000000000, 0.228690380000000, 0.500000000000000 ] mass: 144.242000 reduced_to: 1 - symbol: Nd # 10 coordinates: [ 0.910162350000000, 0.685089260000000, 0.573207060000000 ] mass: 144.242000 reduced_to: 2 - symbol: Nd # 11 coordinates: [ 0.208846760000000, 0.169734040000000, 0.628621720000000 ] mass: 144.242000 reduced_to: 3 - symbol: Nd # 12 coordinates: [ 0.918923540000000, 0.672037270000000, 0.801654640000000 ] mass: 144.242000 reduced_to: 4 - symbol: Nd # 13 coordinates: [ 0.500000000000000, 0.684951940000000, 0.000000000000000 ] mass: 144.242000 reduced_to: 5 - symbol: Nd # 14 coordinates: [ 0.791153240000000, 0.169734040000000, 0.371378280000000 ] mass: 144.242000 reduced_to: 6 - symbol: Nd # 15 coordinates: [ 0.089837650000000, 0.685089260000000, 0.426792940000000 ] mass: 144.242000 reduced_to: 7 - symbol: Nd # 16 coordinates: [ 0.081076460000000, 0.672037270000000, 0.198345360000000 ] mass: 144.242000 reduced_to: 8 - symbol: Cu # 17 coordinates: [ 0.293090750000000, 0.951120330000000, 0.090274770000000 ] mass: 63.546000 reduced_to: 17 - symbol: Cu # 18 coordinates: [ 0.706909250000000, 0.951120330000000, 0.909725230000000 ] mass: 63.546000 reduced_to: 18 - symbol: Cu # 19 coordinates: [ 0.793090750000000, 0.451120330000000, 0.090274770000000 ] mass: 63.546000 reduced_to: 17 - symbol: Cu # 20 coordinates: [ 0.206909250000000, 0.451120330000000, 0.909725230000000 ] mass: 63.546000 reduced_to: 18 - symbol: Te # 21 coordinates: [ 0.389192650000000, 0.189713280000000, 0.349339850000000 ] mass: 127.600000 reduced_to: 21 - symbol: Te # 22 coordinates: [ 0.296984610000000, 0.768293370000000, 0.589195710000000 ] mass: 127.600000 reduced_to: 22 - symbol: Te # 23 coordinates: [ 0.494432310000000, 0.639344840000000, 0.264174740000000 ] mass: 127.600000 reduced_to: 23 - symbol: Te # 24 coordinates: [ 0.703015390000000, 0.768293370000000, 0.410804290000000 ] mass: 127.600000 reduced_to: 24 - symbol: Te # 25 coordinates: [ 0.596546740000000, 0.244859260000000, 0.976454060000000 ] mass: 127.600000 reduced_to: 25 - symbol: Te # 26 coordinates: [ 0.610807350000000, 0.189713280000000, 0.650660150000000 ] mass: 127.600000 reduced_to: 26 - symbol: Te # 27 coordinates: [ 0.192164200000000, 0.130365310000000, 0.182920460000000 ] mass: 127.600000 reduced_to: 27 - symbol: Te # 28 coordinates: [ 0.403453260000000, 0.244859260000000, 0.023545940000000 ] mass: 127.600000 reduced_to: 28 - symbol: Te # 29 coordinates: [ 0.505567690000000, 0.639344840000000, 0.735825260000000 ] mass: 127.600000 reduced_to: 29 - symbol: Te # 30 coordinates: [ 0.807835800000000, 0.130365310000000, 0.817079540000000 ] mass: 127.600000 reduced_to: 30 - symbol: Te # 31 coordinates: [ 0.889192650000000, 0.689713280000000, 0.349339850000000 ] mass: 127.600000 reduced_to: 21 - symbol: Te # 32 coordinates: [ 0.796984610000000, 0.268293370000000, 0.589195710000000 ] mass: 127.600000 reduced_to: 22 - symbol: Te # 33 coordinates: [ 0.994432310000000, 0.139344840000000, 0.264174740000000 ] mass: 127.600000 reduced_to: 23 - symbol: Te # 34 coordinates: [ 0.203015390000000, 0.268293370000000, 0.410804290000000 ] mass: 127.600000 reduced_to: 24 - symbol: Te # 35 coordinates: [ 0.096546740000000, 0.744859260000000, 0.976454060000000 ] mass: 127.600000 reduced_to: 25 - symbol: Te # 36 coordinates: [ 0.110807350000000, 0.689713280000000, 0.650660150000000 ] mass: 127.600000 reduced_to: 26 - symbol: Te # 37 coordinates: [ 0.692164200000000, 0.630365310000000, 0.182920460000000 ] mass: 127.600000 reduced_to: 27 - symbol: Te # 38 coordinates: [ 0.903453260000000, 0.744859260000000, 0.023545940000000 ] mass: 127.600000 reduced_to: 28 - symbol: Te # 39 coordinates: [ 0.005567690000000, 0.139344840000000, 0.735825260000000 ] mass: 127.600000 reduced_to: 29 - symbol: Te # 40 coordinates: [ 0.307835800000000, 0.630365310000000, 0.817079540000000 ] mass: 127.600000 reduced_to: 30 - symbol: Cl # 41 coordinates: [ 0.689638210000000, 0.756981260000000, 0.780032400000000 ] mass: 35.453000 reduced_to: 41 - symbol: Cl # 42 coordinates: [ 0.305565090000000, 0.668557980000000, 0.005009040000000 ] mass: 35.453000 reduced_to: 42 - symbol: Cl # 43 coordinates: [ 0.694434910000000, 0.668557980000000, 0.994990960000000 ] mass: 35.453000 reduced_to: 43 - symbol: Cl # 44 coordinates: [ 0.399615910000000, 0.160075890000000, 0.175643750000000 ] mass: 35.453000 reduced_to: 44 - symbol: Cl # 45 coordinates: [ 0.600384090000000, 0.160075890000000, 0.824356250000000 ] mass: 35.453000 reduced_to: 45 - symbol: Cl # 46 coordinates: [ 0.310361790000000, 0.756981260000000, 0.219967600000000 ] mass: 35.453000 reduced_to: 46 - symbol: Cl # 47 coordinates: [ 0.189638210000000, 0.256981260000000, 0.780032400000000 ] mass: 35.453000 reduced_to: 41 - symbol: Cl # 48 coordinates: [ 0.805565090000000, 0.168557980000000, 0.005009040000000 ] mass: 35.453000 reduced_to: 42 - symbol: Cl # 49 coordinates: [ 0.194434910000000, 0.168557980000000, 0.994990960000000 ] mass: 35.453000 reduced_to: 43 - symbol: Cl # 50 coordinates: [ 0.899615910000000, 0.660075890000000, 0.175643750000000 ] mass: 35.453000 reduced_to: 44 - symbol: Cl # 51 coordinates: [ 0.100384090000000, 0.660075890000000, 0.824356250000000 ] mass: 35.453000 reduced_to: 45 - symbol: Cl # 52 coordinates: [ 0.810361790000000, 0.256981260000000, 0.219967600000000 ] mass: 35.453000 reduced_to: 46 - symbol: O # 53 coordinates: [ 0.405037560000000, 0.437377950000000, 0.435139020000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.316430840000000, 0.881316100000000, 0.504552540000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.617674060000000, 0.962586000000000, 0.574786440000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.471079080000000, 0.994698970000000, 0.064463960000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.483825060000000, 0.069330070000000, 0.404791670000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.683569160000000, 0.881316100000000, 0.495447460000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.557323360000000, 0.901961170000000, 0.300305730000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.509968570000000, 0.570099370000000, 0.380623190000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.521528200000000, 0.459923410000000, 0.894556500000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.700215440000000, 0.383508710000000, 0.517575590000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.431830460000000, 0.414847860000000, 0.701671640000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.490031430000000, 0.570099370000000, 0.619376810000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.180192350000000, 0.566736940000000, 0.349311740000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.442676640000000, 0.901961170000000, 0.699694270000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.888715730000000, 0.319250350000000, 0.850199240000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.594962440000000, 0.437377950000000, 0.564860980000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.736705910000000, 0.302864810000000, 0.708275180000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.189004720000000, 0.901198050000000, 0.259686260000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.478471800000000, 0.459923410000000, 0.105443500000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.111284270000000, 0.319250350000000, 0.149800760000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 73 coordinates: [ 0.819807650000000, 0.566736940000000, 0.650688260000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.382325940000000, 0.962586000000000, 0.425213560000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 75 coordinates: [ 0.568169540000000, 0.414847860000000, 0.298328360000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.528920920000000, 0.994698970000000, 0.935536040000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.299784560000000, 0.383508710000000, 0.482424410000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.810995280000000, 0.901198050000000, 0.740313740000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 79 coordinates: [ 0.910733030000000, 0.864296940000000, 0.924780530000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.089266970000000, 0.864296940000000, 0.075219470000000 ] mass: 15.999400 reduced_to: 80 - symbol: O # 81 coordinates: [ 0.263294090000000, 0.302864810000000, 0.291724820000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.516174940000000, 0.069330070000000, 0.595208330000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 83 coordinates: [ 0.905037560000000, 0.937377950000000, 0.435139020000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 84 coordinates: [ 0.816430840000000, 0.381316100000000, 0.504552540000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 85 coordinates: [ 0.117674060000000, 0.462586000000000, 0.574786440000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 86 coordinates: [ 0.971079080000000, 0.494698970000000, 0.064463960000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 87 coordinates: [ 0.983825060000000, 0.569330070000000, 0.404791670000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 88 coordinates: [ 0.183569160000000, 0.381316100000000, 0.495447460000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 89 coordinates: [ 0.057323360000000, 0.401961170000000, 0.300305730000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 90 coordinates: [ 0.009968570000000, 0.070099370000000, 0.380623190000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 91 coordinates: [ 0.021528200000000, 0.959923410000000, 0.894556500000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 92 coordinates: [ 0.200215440000000, 0.883508710000000, 0.517575590000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 93 coordinates: [ 0.931830460000000, 0.914847860000000, 0.701671640000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 94 coordinates: [ 0.990031430000000, 0.070099370000000, 0.619376810000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 95 coordinates: [ 0.680192350000000, 0.066736940000000, 0.349311740000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 96 coordinates: [ 0.942676640000000, 0.401961170000000, 0.699694270000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 97 coordinates: [ 0.388715730000000, 0.819250350000000, 0.850199240000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 98 coordinates: [ 0.094962440000000, 0.937377950000000, 0.564860980000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 99 coordinates: [ 0.236705910000000, 0.802864810000000, 0.708275180000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 100 coordinates: [ 0.689004720000000, 0.401198050000000, 0.259686260000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 101 coordinates: [ 0.978471800000000, 0.959923410000000, 0.105443500000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 102 coordinates: [ 0.611284270000000, 0.819250350000000, 0.149800760000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 103 coordinates: [ 0.319807650000000, 0.066736940000000, 0.650688260000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 104 coordinates: [ 0.882325940000000, 0.462586000000000, 0.425213560000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 105 coordinates: [ 0.068169540000000, 0.914847860000000, 0.298328360000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 106 coordinates: [ 0.028920920000000, 0.494698970000000, 0.935536040000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 107 coordinates: [ 0.799784560000000, 0.883508710000000, 0.482424410000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 108 coordinates: [ 0.310995280000000, 0.401198050000000, 0.740313740000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 109 coordinates: [ 0.410733030000000, 0.364296940000000, 0.924780530000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 110 coordinates: [ 0.589266970000000, 0.364296940000000, 0.075219470000000 ] mass: 15.999400 reduced_to: 80 - symbol: O # 111 coordinates: [ 0.763294090000000, 0.802864810000000, 0.291724820000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 112 coordinates: [ 0.016174940000000, 0.569330070000000, 0.595208330000000 ] mass: 15.999400 reduced_to: 82displacements:- atom: 1 displacement: [ 0.0099999987502926, 0.0000000000000000, -0.0000049994145799 ] forces: - [ -0.1258749000000000, 0.0008433800000000, 0.0046365000000000 ] - [ 0.0072043200000000, -0.0018682100000000, -0.0078814800000000 ] - [ 0.0152038000000000, -0.0022584200000000, 0.0098667400000000 ] - [ 0.0021956600000000, 0.0002061700000000, -0.0047373800000000 ] - [ 0.0016848200000000, -0.0002259600000000, 0.0027407900000000 ] - [ 0.0153148400000000, 0.0028249500000000, 0.0109716300000000 ] - [ 0.0077190000000000, 0.0017804900000000, -0.0072353300000000 ] - [ 0.0024272700000000, -0.0001371600000000, -0.0051691300000000 ] - [ 0.0021025200000000, 0.0004351300000000, 0.0001909100000000 ] - [ 0.0033357300000000, -0.0001587800000000, 0.0007092900000000 ] - [ 0.0028613400000000, 0.0000068300000000, -0.0016988400000000 ] - [ 0.0023674600000000, 0.0003523600000000, 0.0030551400000000 ] - [ 0.0007444600000000, -0.0002265100000000, -0.0032656800000000 ] - [ 0.0030996500000000, 0.0005929700000000, -0.0004762600000000 ] - [ 0.0038540300000000, 0.0000141200000000, 0.0014116600000000 ] - [ 0.0026042500000000, -0.0002854700000000, 0.0026235100000000 ] - [ -0.0006944900000000, -0.0009469100000000, 0.0005906800000000 ] - [ -0.0011955200000000, 0.0005123900000000, 0.0004902400000000 ] - [ 0.0002995100000000, 0.0000790900000000, 0.0000590900000000 ] - [ -0.0001957400000000, -0.0005185300000000, -0.0000417800000000 ] - [ -0.0288031800000000, 0.0011487200000000, 0.0164488300000000 ] - [ 0.0051834500000000, -0.0001520600000000, -0.0021019800000000 ] - [ 0.0057856300000000, 0.0006399300000000, -0.0134345600000000 ] - [ 0.0058289500000000, 0.0001958800000000, -0.0015532000000000 ] - [ -0.0018458900000000, 0.0008488200000000, -0.0030163300000000 ] - [ -0.0288127000000000, -0.0023463300000000, 0.0156841700000000 ] - [ 0.0022383900000000, 0.0002848200000000, 0.0045981900000000 ] - [ -0.0007843500000000, 0.0002945600000000, -0.0030505700000000 ] - [ 0.0051035000000000, -0.0004575500000000, -0.0143507300000000 ] - [ 0.0015619300000000, -0.0007449200000000, 0.0046460600000000 ] - [ 0.0024182800000000, -0.0009693700000000, 0.0006156300000000 ] - [ 0.0039326200000000, 0.0001047600000000, 0.0014290300000000 ] - [ 0.0021377200000000, 0.0005340200000000, 0.0014091500000000 ] - [ 0.0045540500000000, -0.0000520400000000, 0.0019906500000000 ] - [ -0.0003610500000000, 0.0010514900000000, 0.0023791500000000 ] - [ 0.0026115200000000, -0.0002090600000000, -0.0001378400000000 ] - [ 0.0010137100000000, -0.0002988900000000, -0.0017909200000000 ] - [ 0.0007108700000000, 0.0000958200000000, 0.0023376700000000 ] - [ 0.0014430000000000, -0.0003312800000000, 0.0003949700000000 ] - [ 0.0003475700000000, -0.0001744000000000, -0.0017298100000000 ] - [ 0.0009250600000000, 0.0004642800000000, -0.0033212000000000 ] - [ 0.0002235800000000, -0.0004074800000000, 0.0004031700000000 ] - [ 0.0004853000000000, -0.0003835200000000, 0.0000934700000000 ] - [ 0.0024036300000000, 0.0002995600000000, 0.0003118300000000 ] - [ 0.0020079300000000, -0.0007382300000000, 0.0000105800000000 ] - [ 0.0012352900000000, -0.0003073500000000, -0.0031759200000000 ] - [ -0.0006665300000000, 0.0001179400000000, 0.0001613300000000 ] - [ 0.0001582700000000, -0.0005212100000000, -0.0003152600000000 ] - [ 0.0004206700000000, -0.0002755900000000, -0.0006202100000000 ] - [ -0.0000753000000000, -0.0003416500000000, -0.0002711900000000 ] - [ -0.0004732800000000, -0.0000969800000000, -0.0005841900000000 ] - [ -0.0003506000000000, 0.0000400300000000, 0.0003119100000000 ] - [ 0.0209745600000000, 0.0067413600000000, 0.0003470000000000 ] - [ -0.0045372500000000, -0.0003694100000000, 0.0006457900000000 ] - [ 0.0114700300000000, -0.0017974200000000, -0.0043684700000000 ] - [ 0.0008595200000000, 0.0000866500000000, 0.0018397100000000 ] - [ 0.0251891200000000, 0.0003831300000000, 0.0028683500000000 ] - [ -0.0050108700000000, 0.0007625900000000, 0.0018549600000000 ] - [ -0.0019695000000000, -0.0023720200000000, 0.0021372200000000 ] - [ 0.0143218400000000, -0.0041544400000000, -0.0054232000000000 ] - [ 0.0004725500000000, -0.0016434500000000, 0.0035786200000000 ] - [ -0.0039483900000000, 0.0009260000000000, -0.0007448800000000 ] - [ -0.0031780200000000, -0.0012322200000000, 0.0032082400000000 ] - [ 0.0131866000000000, 0.0041471200000000, -0.0046141900000000 ] - [ -0.0020625800000000, -0.0000367000000000, -0.0013915100000000 ] - [ -0.0023617400000000, 0.0014947600000000, 0.0021007800000000 ] - [ -0.0016929900000000, -0.0003231700000000, -0.0014973400000000 ] - [ 0.0209785700000000, -0.0067522700000000, 0.0007598300000000 ] - [ 0.0001524000000000, 0.0019906300000000, -0.0037117400000000 ] - [ -0.0011278200000000, 0.0009911000000000, -0.0027750500000000 ] - [ -0.0000682600000000, 0.0011793900000000, 0.0033526800000000 ] - [ -0.0017278000000000, 0.0006071300000000, -0.0016587400000000 ] - [ -0.0029657300000000, 0.0000255900000000, -0.0014210900000000 ] - [ 0.0109647200000000, 0.0025113400000000, -0.0055778100000000 ] - [ -0.0032879400000000, 0.0014188300000000, 0.0031785500000000 ] - [ 0.0003683000000000, -0.0002265400000000, 0.0015149700000000 ] - [ -0.0035682400000000, -0.0006857900000000, -0.0012850800000000 ] - [ -0.0015298600000000, -0.0005420400000000, -0.0023600500000000 ] - [ -0.0006650100000000, 0.0005195100000000, -0.0020934800000000 ] - [ 0.0000542300000000, -0.0007020500000000, -0.0022629100000000 ] - [ 0.0004675500000000, -0.0021123100000000, -0.0044368500000000 ] - [ 0.0252219900000000, -0.0002023700000000, 0.0035496100000000 ] - [ -0.0009155000000000, 0.0003912700000000, -0.0000043000000000 ] - [ -0.0017379800000000, -0.0002104200000000, -0.0001228900000000 ] - [ -0.0013559100000000, 0.0006615900000000, 0.0006359900000000 ] - [ -0.0007017500000000, 0.0001285100000000, -0.0010701800000000 ] - [ -0.0021875800000000, 0.0001760000000000, -0.0009695200000000 ] - [ -0.0021727600000000, 0.0006101300000000, 0.0010813300000000 ] - [ -0.0013184700000000, -0.0007971500000000, -0.0008864300000000 ] - [ -0.0006778800000000, 0.0002638900000000, 0.0001048000000000 ] - [ -0.0004923900000000, -0.0001017100000000, -0.0011657700000000 ] - [ -0.0029566300000000, 0.0005951000000000, -0.0003900800000000 ] - [ -0.0011064200000000, -0.0001498100000000, -0.0006427000000000 ] - [ -0.0014840200000000, -0.0000162200000000, 0.0003956300000000 ] - [ -0.0014603400000000, -0.0009066000000000, 0.0011053800000000 ] - [ -0.0017027000000000, -0.0000807300000000, -0.0009048000000000 ] - [ -0.0004718900000000, -0.0004160900000000, 0.0013300600000000 ] - [ -0.0014354300000000, 0.0001846100000000, 0.0000835900000000 ] - [ -0.0014100500000000, -0.0004248700000000, 0.0009399600000000 ] - [ -0.0008238700000000, -0.0001494600000000, 0.0009245100000000 ] - [ -0.0010366400000000, -0.0003630300000000, -0.0013913400000000 ] - [ -0.0004995700000000, 0.0006983800000000, 0.0011734700000000 ] - [ -0.0023619300000000, 0.0008910300000000, 0.0010747900000000 ] - [ -0.0013731200000000, -0.0001897300000000, -0.0003494000000000 ] - [ -0.0012292700000000, 0.0003370800000000, -0.0006802500000000 ] - [ -0.0011899300000000, -0.0002673200000000, -0.0013954100000000 ] - [ -0.0025866200000000, -0.0003637500000000, -0.0009324400000000 ] - [ -0.0012275900000000, 0.0006057300000000, 0.0013440300000000 ] - [ -0.0011235300000000, -0.0002982800000000, 0.0025740400000000 ] - [ -0.0004073400000000, 0.0001195000000000, 0.0024098900000000 ] - [ -0.0010640700000000, 0.0002931400000000, 0.0002371800000000 ] - [ -0.0020848700000000, -0.0001883500000000, -0.0004352600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.1257754000000000, 0.0000000000000000 ] - [ -0.0074135000000000, 0.0120247400000000, 0.0013357200000000 ] - [ -0.0015299600000000, -0.0055073900000000, -0.0021102100000000 ] - [ 0.0007583000000000, 0.0002866100000000, -0.0000133900000000 ] - [ 0.0000000000000000, -0.0002614400000000, 0.0000000000000000 ] - [ 0.0015299600000000, -0.0055073900000000, 0.0021102100000000 ] - [ 0.0074135000000000, 0.0120247400000000, -0.0013357200000000 ] - [ -0.0007583000000000, 0.0002866100000000, 0.0000133900000000 ] - [ 0.0000000000000000, 0.0004565700000000, 0.0000000000000000 ] - [ -0.0001410200000000, -0.0000687100000000, -0.0004950000000000 ] - [ 0.0000008700000000, 0.0002795400000000, -0.0003500200000000 ] - [ 0.0001949700000000, 0.0000910500000000, 0.0002261000000000 ] - [ 0.0000000000000000, -0.0003523100000000, 0.0000000000000000 ] - [ -0.0000008700000000, 0.0002795400000000, 0.0003500200000000 ] - [ 0.0001410200000000, -0.0000687100000000, 0.0004950000000000 ] - [ -0.0001949700000000, 0.0000910500000000, -0.0002261000000000 ] - [ 0.0002800200000000, -0.0002320000000000, 0.0000323600000000 ] - [ -0.0002800200000000, -0.0002320000000000, -0.0000323600000000 ] - [ 0.0001922900000000, -0.0001885700000000, 0.0000471700000000 ] - [ -0.0001922900000000, -0.0001885700000000, -0.0000471700000000 ] - [ -0.0135597900000000, 0.0384711200000000, -0.0051368600000000 ] - [ 0.0000291500000000, 0.0000059800000000, 0.0006970300000000 ] - [ -0.0030837400000000, -0.0016962000000000, 0.0050517800000000 ] - [ -0.0000291500000000, 0.0000059800000000, -0.0006970300000000 ] - [ -0.0017326500000000, 0.0009953200000000, -0.0002066700000000 ] - [ 0.0135597900000000, 0.0384711200000000, 0.0051368600000000 ] - [ -0.0001973800000000, -0.0008354000000000, -0.0012924000000000 ] - [ 0.0017326500000000, 0.0009953200000000, 0.0002066700000000 ] - [ 0.0030837400000000, -0.0016962000000000, -0.0050517800000000 ] - [ 0.0001973800000000, -0.0008354000000000, 0.0012924000000000 ] - [ -0.0002755600000000, -0.0005605400000000, 0.0003012500000000 ] - [ 0.0001920800000000, -0.0000462800000000, -0.0008361300000000 ] - [ 0.0002014900000000, 0.0000972500000000, 0.0005778200000000 ] - [ -0.0001920800000000, -0.0000462800000000, 0.0008361300000000 ] - [ -0.0002486100000000, 0.0005601900000000, -0.0001743700000000 ] - [ 0.0002755600000000, -0.0005605400000000, -0.0003012500000000 ] - [ -0.0000621600000000, -0.0002902800000000, -0.0003088900000000 ] - [ 0.0002486100000000, 0.0005601900000000, 0.0001743700000000 ] - [ -0.0002014900000000, 0.0000972500000000, -0.0005778200000000 ] - [ 0.0000621600000000, -0.0002902800000000, 0.0003088900000000 ] - [ 0.0001893100000000, -0.0000575100000000, -0.0002802600000000 ] - [ -0.0002838900000000, -0.0003772800000000, 0.0001200600000000 ] - [ 0.0002838900000000, -0.0003772800000000, -0.0001200600000000 ] - [ -0.0004893300000000, -0.0003839000000000, 0.0010143800000000 ] - [ 0.0004893300000000, -0.0003839000000000, -0.0010143800000000 ] - [ -0.0001893100000000, -0.0000575100000000, 0.0002802600000000 ] - [ -0.0002325700000000, 0.0000565400000000, -0.0000907400000000 ] - [ -0.0000155600000000, -0.0004209900000000, 0.0001043200000000 ] - [ 0.0000155600000000, -0.0004209900000000, -0.0001043200000000 ] - [ 0.0002998500000000, -0.0001916500000000, 0.0001044600000000 ] - [ -0.0002998500000000, -0.0001916500000000, -0.0001044600000000 ] - [ 0.0002325700000000, 0.0000565400000000, 0.0000907400000000 ] - [ 0.0109716800000000, 0.0043880600000000, -0.0009601400000000 ] - [ 0.0010170900000000, 0.0008603400000000, -0.0016195200000000 ] - [ -0.0024846900000000, -0.0012215200000000, -0.0053636200000000 ] - [ 0.0000577100000000, -0.0000528700000000, -0.0000414000000000 ] - [ 0.0084591800000000, 0.0114051100000000, -0.0067545900000000 ] - [ -0.0010170900000000, 0.0008603400000000, 0.0016195200000000 ] - [ 0.0011538400000000, 0.0020627800000000, 0.0007189400000000 ] - [ -0.0023565000000000, 0.0078972900000000, 0.0020657000000000 ] - [ 0.0001460900000000, -0.0009693000000000, 0.0010429700000000 ] - [ 0.0001064200000000, -0.0005481200000000, 0.0001865900000000 ] - [ -0.0018668600000000, -0.0021499500000000, -0.0001649200000000 ] - [ 0.0023565000000000, 0.0078972900000000, -0.0020657000000000 ] - [ 0.0008798900000000, -0.0000753800000000, -0.0000992300000000 ] - [ -0.0011538400000000, 0.0020627800000000, -0.0007189400000000 ] - [ -0.0002192500000000, 0.0001321700000000, -0.0000947700000000 ] - [ -0.0109716800000000, 0.0043880600000000, 0.0009601400000000 ] - [ -0.0019948400000000, -0.0015198900000000, -0.0001727600000000 ] - [ 0.0003881800000000, 0.0005794000000000, -0.0003610100000000 ] - [ -0.0001460900000000, -0.0009693000000000, -0.0010429700000000 ] - [ 0.0002192500000000, 0.0001321700000000, 0.0000947700000000 ] - [ -0.0008798900000000, -0.0000753800000000, 0.0000992300000000 ] - [ 0.0024846900000000, -0.0012215200000000, 0.0053636200000000 ] - [ 0.0018668600000000, -0.0021499500000000, 0.0001649200000000 ] - [ -0.0000577100000000, -0.0000528700000000, 0.0000414000000000 ] - [ -0.0001064200000000, -0.0005481200000000, -0.0001865900000000 ] - [ -0.0003881800000000, 0.0005794000000000, 0.0003610100000000 ] - [ -0.0003425800000000, 0.0000149600000000, -0.0000886300000000 ] - [ 0.0003425800000000, 0.0000149600000000, 0.0000886300000000 ] - [ 0.0019948400000000, -0.0015198900000000, 0.0001727600000000 ] - [ -0.0084591800000000, 0.0114051100000000, 0.0067545900000000 ] - [ 0.0002894300000000, 0.0002821200000000, 0.0000081100000000 ] - [ 0.0001804300000000, 0.0001674600000000, -0.0003664800000000 ] - [ -0.0000131500000000, 0.0002595500000000, 0.0004448300000000 ] - [ 0.0003536300000000, -0.0001056900000000, 0.0001676900000000 ] - [ 0.0000328200000000, -0.0000291500000000, -0.0002406100000000 ] - [ -0.0001804300000000, 0.0001674600000000, 0.0003664800000000 ] - [ 0.0002820600000000, -0.0004070300000000, -0.0000254400000000 ] - [ 0.0004694600000000, 0.0001312200000000, -0.0002309800000000 ] - [ 0.0001781600000000, -0.0002401900000000, 0.0001520500000000 ] - [ -0.0001628900000000, 0.0001556500000000, 0.0000416700000000 ] - [ -0.0000566700000000, 0.0000498600000000, 0.0000820600000000 ] - [ -0.0004694600000000, 0.0001312200000000, 0.0002309800000000 ] - [ 0.0007120300000000, -0.0002382800000000, 0.0005298300000000 ] - [ -0.0002820600000000, -0.0004070300000000, 0.0000254400000000 ] - [ -0.0003294500000000, -0.0000507500000000, 0.0000197700000000 ] - [ -0.0002894300000000, 0.0002821200000000, -0.0000081100000000 ] - [ -0.0002759300000000, 0.0000322000000000, 0.0001273300000000 ] - [ 0.0004369700000000, 0.0002851800000000, -0.0000117700000000 ] - [ -0.0001781600000000, -0.0002401900000000, -0.0001520500000000 ] - [ 0.0003294500000000, -0.0000507500000000, -0.0000197700000000 ] - [ -0.0007120300000000, -0.0002382800000000, -0.0005298300000000 ] - [ 0.0000131500000000, 0.0002595500000000, -0.0004448300000000 ] - [ 0.0000566700000000, 0.0000498600000000, -0.0000820600000000 ] - [ -0.0003536300000000, -0.0001056900000000, -0.0001676900000000 ] - [ 0.0001628900000000, 0.0001556500000000, -0.0000416700000000 ] - [ -0.0004369700000000, 0.0002851800000000, 0.0000117700000000 ] - [ -0.0007648000000000, -0.0001406200000000, 0.0000038400000000 ] - [ 0.0007648000000000, -0.0001406200000000, -0.0000038400000000 ] - [ 0.0002759300000000, 0.0000322000000000, -0.0001273300000000 ] - [ -0.0000328200000000, -0.0000291500000000, 0.0002406100000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.1254680400000000, 0.0000000000000000 ] - [ 0.0067088200000000, -0.0121269400000000, -0.0019653700000000 ] - [ 0.0012903300000000, 0.0061290900000000, 0.0008721600000000 ] - [ -0.0009802500000000, -0.0002117700000000, 0.0004380100000000 ] - [ 0.0000000000000000, -0.0001892600000000, 0.0000000000000000 ] - [ -0.0012903300000000, 0.0061290900000000, -0.0008721600000000 ] - [ -0.0067088200000000, -0.0121269400000000, 0.0019653700000000 ] - [ 0.0009802500000000, -0.0002117700000000, -0.0004380100000000 ] - [ 0.0000000000000000, 0.0004086600000000, 0.0000000000000000 ] - [ -0.0003808400000000, -0.0000739800000000, -0.0002125600000000 ] - [ -0.0002345100000000, 0.0003185300000000, -0.0008702800000000 ] - [ -0.0004243400000000, -0.0000235800000000, 0.0002047400000000 ] - [ 0.0000000000000000, -0.0000996800000000, 0.0000000000000000 ] - [ 0.0002345100000000, 0.0003185300000000, 0.0008702800000000 ] - [ 0.0003808400000000, -0.0000739800000000, 0.0002125600000000 ] - [ 0.0004243400000000, -0.0000235800000000, -0.0002047400000000 ] - [ 0.0002189500000000, -0.0002079700000000, 0.0000650400000000 ] - [ -0.0002189500000000, -0.0002079700000000, -0.0000650400000000 ] - [ 0.0002989700000000, -0.0002531400000000, 0.0000539900000000 ] - [ -0.0002989700000000, -0.0002531400000000, -0.0000539900000000 ] - [ 0.0130868700000000, -0.0395802400000000, 0.0055305000000000 ] - [ -0.0006451700000000, 0.0000409100000000, -0.0012528200000000 ] - [ 0.0037343400000000, 0.0018304900000000, -0.0039711300000000 ] - [ 0.0006451700000000, 0.0000409100000000, 0.0012528200000000 ] - [ 0.0006490900000000, 0.0001556300000000, 0.0002372300000000 ] - [ -0.0130868700000000, -0.0395802400000000, -0.0055305000000000 ] - [ 0.0008580700000000, 0.0003587300000000, 0.0012223400000000 ] - [ -0.0006490900000000, 0.0001556300000000, -0.0002372300000000 ] - [ -0.0037343400000000, 0.0018304900000000, 0.0039711300000000 ] - [ -0.0008580700000000, 0.0003587300000000, -0.0012223400000000 ] - [ 0.0000808700000000, -0.0006165700000000, 0.0004535400000000 ] - [ -0.0008046200000000, 0.0000863600000000, 0.0002622900000000 ] - [ 0.0004919700000000, 0.0001061800000000, 0.0004382100000000 ] - [ 0.0008046200000000, 0.0000863600000000, -0.0002622900000000 ] - [ -0.0008162200000000, 0.0005867800000000, 0.0002049900000000 ] - [ -0.0000808700000000, -0.0006165700000000, -0.0004535400000000 ] - [ 0.0007201000000000, -0.0001845500000000, 0.0002475800000000 ] - [ 0.0008162200000000, 0.0005867800000000, -0.0002049900000000 ] - [ -0.0004919700000000, 0.0001061800000000, -0.0004382100000000 ] - [ -0.0007201000000000, -0.0001845500000000, -0.0002475800000000 ] - [ -0.0004857900000000, 0.0002074200000000, 0.0001198900000000 ] - [ 0.0000381600000000, -0.0004102200000000, 0.0001814100000000 ] - [ -0.0000381600000000, -0.0004102200000000, -0.0001814100000000 ] - [ 0.0008859000000000, -0.0000501800000000, -0.0006920000000000 ] - [ -0.0008859000000000, -0.0000501800000000, 0.0006920000000000 ] - [ 0.0004857900000000, 0.0002074200000000, -0.0001198900000000 ] - [ -0.0000684500000000, 0.0000863300000000, -0.0000645800000000 ] - [ -0.0002253000000000, -0.0003686900000000, 0.0001956500000000 ] - [ 0.0002253000000000, -0.0003686900000000, -0.0001956500000000 ] - [ 0.0001087000000000, -0.0002383200000000, 0.0002133300000000 ] - [ -0.0001087000000000, -0.0002383200000000, -0.0002133300000000 ] - [ 0.0000684500000000, 0.0000863300000000, 0.0000645800000000 ] - [ -0.0110391300000000, -0.0043944200000000, 0.0005083800000000 ] - [ -0.0005748700000000, -0.0004557400000000, 0.0003981200000000 ] - [ 0.0026308000000000, 0.0019342900000000, 0.0064459800000000 ] - [ 0.0004358100000000, -0.0000880800000000, 0.0003618200000000 ] - [ -0.0082294700000000, -0.0104515200000000, 0.0055631400000000 ] - [ 0.0005748700000000, -0.0004557400000000, -0.0003981200000000 ] - [ -0.0007599300000000, -0.0029046900000000, -0.0006783800000000 ] - [ 0.0034161100000000, -0.0077514500000000, -0.0027051400000000 ] - [ 0.0003900200000000, 0.0004959600000000, -0.0008020700000000 ] - [ -0.0005056300000000, 0.0007827400000000, 0.0003520300000000 ] - [ 0.0019253200000000, 0.0022947300000000, 0.0002196500000000 ] - [ -0.0034161100000000, -0.0077514500000000, 0.0027051400000000 ] - [ 0.0000338400000000, 0.0000712700000000, 0.0001177100000000 ] - [ 0.0007599300000000, -0.0029046900000000, 0.0006783800000000 ] - [ 0.0002457400000000, 0.0001547600000000, 0.0002528100000000 ] - [ 0.0110391300000000, -0.0043944200000000, -0.0005083800000000 ] - [ 0.0016338900000000, 0.0013986700000000, 0.0008864100000000 ] - [ 0.0000181500000000, -0.0001315200000000, -0.0000549100000000 ] - [ -0.0003900200000000, 0.0004959600000000, 0.0008020700000000 ] - [ -0.0002457400000000, 0.0001547600000000, -0.0002528100000000 ] - [ -0.0000338400000000, 0.0000712700000000, -0.0001177100000000 ] - [ -0.0026308000000000, 0.0019342900000000, -0.0064459800000000 ] - [ -0.0019253200000000, 0.0022947300000000, -0.0002196500000000 ] - [ -0.0004358100000000, -0.0000880800000000, -0.0003618200000000 ] - [ 0.0005056300000000, 0.0007827400000000, -0.0003520300000000 ] - [ -0.0000181500000000, -0.0001315200000000, 0.0000549100000000 ] - [ -0.0003725000000000, -0.0001948000000000, 0.0002470700000000 ] - [ 0.0003725000000000, -0.0001948000000000, -0.0002470700000000 ] - [ -0.0016338900000000, 0.0013986700000000, -0.0008864100000000 ] - [ 0.0082294700000000, -0.0104515200000000, -0.0055631400000000 ] - [ 0.0002280100000000, 0.0002982900000000, -0.0000943500000000 ] - [ 0.0002557700000000, 0.0002319800000000, -0.0008366700000000 ] - [ 0.0000342100000000, 0.0002081200000000, 0.0005364500000000 ] - [ 0.0001444600000000, -0.0000365900000000, 0.0001558800000000 ] - [ -0.0001315000000000, 0.0000141300000000, -0.0002907800000000 ] - [ -0.0002557700000000, 0.0002319800000000, 0.0008366700000000 ] - [ 0.0001080500000000, -0.0004663100000000, 0.0000418600000000 ] - [ 0.0003375300000000, 0.0001153600000000, -0.0000554500000000 ] - [ 0.0003561900000000, -0.0002248500000000, 0.0000786700000000 ] - [ -0.0002234100000000, 0.0000807600000000, 0.0004954200000000 ] - [ 0.0001708800000000, 0.0001317800000000, -0.0000407900000000 ] - [ -0.0003375300000000, 0.0001153600000000, 0.0000554500000000 ] - [ 0.0001965700000000, 0.0002294000000000, -0.0005042500000000 ] - [ -0.0001080500000000, -0.0004663100000000, -0.0000418600000000 ] - [ 0.0003522900000000, 0.0003353200000000, 0.0001397100000000 ] - [ -0.0002280100000000, 0.0002982900000000, 0.0000943500000000 ] - [ -0.0000718400000000, -0.0001566500000000, 0.0005793400000000 ] - [ -0.0000290500000000, 0.0001658200000000, -0.0004078500000000 ] - [ -0.0003561900000000, -0.0002248500000000, -0.0000786700000000 ] - [ -0.0003522900000000, 0.0003353200000000, -0.0001397100000000 ] - [ -0.0001965700000000, 0.0002294000000000, 0.0005042500000000 ] - [ -0.0000342100000000, 0.0002081200000000, -0.0005364500000000 ] - [ -0.0001708800000000, 0.0001317800000000, 0.0000407900000000 ] - [ -0.0001444600000000, -0.0000365900000000, -0.0001558800000000 ] - [ 0.0002234100000000, 0.0000807600000000, -0.0004954200000000 ] - [ 0.0000290500000000, 0.0001658200000000, 0.0004078500000000 ] - [ 0.0000438500000000, -0.0000409500000000, 0.0001567800000000 ] - [ -0.0000438500000000, -0.0000409500000000, -0.0001567800000000 ] - [ 0.0000718400000000, -0.0001566500000000, -0.0005793400000000 ] - [ 0.0001315000000000, 0.0000141300000000, 0.0002907800000000 ]- atom: 1 displacement: [ -0.0057565208649526, 0.0000000000000000, 0.0081769473235044 ] forces: - [ 0.0762144200000000, 0.0003991100000000, -0.1006600400000000 ] - [ -0.0150933800000000, 0.0010215400000000, -0.0127820600000000 ] - [ 0.0034998600000000, 0.0010564000000000, -0.0080569800000000 ] - [ -0.0070661900000000, -0.0003794100000000, 0.0058400500000000 ] - [ 0.0020834100000000, -0.0002249800000000, 0.0005628700000000 ] - [ 0.0038285100000000, -0.0004624100000000, -0.0068223100000000 ] - [ -0.0145363500000000, -0.0011434300000000, -0.0119681200000000 ] - [ -0.0068119900000000, 0.0004481100000000, 0.0054074900000000 ] - [ -0.0010543300000000, 0.0004336700000000, 0.0003059600000000 ] - [ -0.0019469200000000, 0.0002409200000000, -0.0009951100000000 ] - [ -0.0029598600000000, 0.0008380800000000, 0.0000018400000000 ] - [ 0.0017111400000000, 0.0001237900000000, -0.0005693200000000 ] - [ -0.0046914600000000, -0.0002230400000000, 0.0044979700000000 ] - [ -0.0027194000000000, -0.0002360400000000, 0.0012335400000000 ] - [ -0.0014219800000000, -0.0003859500000000, -0.0002960200000000 ] - [ 0.0019568300000000, -0.0000579700000000, -0.0009957500000000 ] - [ 0.0006168100000000, 0.0000297200000000, 0.0011329000000000 ] - [ 0.0001231400000000, -0.0004725800000000, 0.0010308100000000 ] - [ 0.0003707700000000, -0.0004064900000000, 0.0007207600000000 ] - [ -0.0001292100000000, -0.0000361800000000, 0.0006188000000000 ] - [ 0.0300291800000000, -0.0068901000000000, 0.0040773300000000 ] - [ -0.0064213200000000, -0.0002282600000000, -0.0024186100000000 ] - [ -0.0154909400000000, -0.0009773700000000, 0.0234812800000000 ] - [ -0.0057784500000000, 0.0002686700000000, -0.0018354400000000 ] - [ -0.0033776800000000, 0.0007881300000000, 0.0061264000000000 ] - [ 0.0303109300000000, 0.0057565900000000, 0.0031896700000000 ] - [ 0.0037749200000000, 0.0003924100000000, 0.0012034600000000 ] - [ -0.0023278300000000, 0.0003489900000000, 0.0060816300000000 ] - [ -0.0163361000000000, 0.0011244400000000, 0.0227374400000000 ] - [ 0.0031028200000000, -0.0008516700000000, 0.0012299000000000 ] - [ -0.0017189300000000, -0.0001942900000000, 0.0009434800000000 ] - [ -0.0010777200000000, -0.0006246700000000, -0.0034192600000000 ] - [ 0.0002489000000000, 0.0000518200000000, 0.0008679400000000 ] - [ -0.0004412400000000, 0.0006801900000000, -0.0028640000000000 ] - [ 0.0008492900000000, 0.0009191400000000, 0.0007536400000000 ] - [ -0.0015313500000000, -0.0009841000000000, 0.0001852500000000 ] - [ -0.0015428200000000, 0.0002335900000000, 0.0025282500000000 ] - [ 0.0019322200000000, 0.0002274100000000, 0.0007100300000000 ] - [ -0.0004521000000000, 0.0001521000000000, -0.0001467600000000 ] - [ -0.0022183300000000, -0.0007054500000000, 0.0025775500000000 ] - [ -0.0027683800000000, -0.0005556500000000, -0.0008710200000000 ] - [ -0.0000178500000000, -0.0007588800000000, -0.0009621200000000 ] - [ 0.0002192300000000, -0.0000407800000000, -0.0012659700000000 ] - [ 0.0001287900000000, -0.0005535300000000, -0.0027254900000000 ] - [ -0.0002998700000000, 0.0001279000000000, -0.0030412000000000 ] - [ -0.0024415800000000, 0.0006932400000000, -0.0007157900000000 ] - [ 0.0003952100000000, 0.0000858200000000, -0.0007961600000000 ] - [ -0.0006007600000000, -0.0003451500000000, -0.0003259800000000 ] - [ -0.0003567900000000, -0.0004430000000000, -0.0006400600000000 ] - [ 0.0002086300000000, -0.0002690200000000, -0.0002499900000000 ] - [ -0.0001973100000000, -0.0001653400000000, -0.0005698900000000 ] - [ 0.0007039900000000, 0.0000693700000000, -0.0006387500000000 ] - [ -0.0097428000000000, 0.0026589300000000, 0.0100201500000000 ] - [ 0.0029684900000000, 0.0014745300000000, 0.0030125800000000 ] - [ -0.0091876100000000, 0.0024546300000000, 0.0107914300000000 ] - [ 0.0016145000000000, -0.0011500000000000, -0.0018167200000000 ] - [ -0.0167896900000000, -0.0052335100000000, 0.0082711300000000 ] - [ 0.0025182200000000, -0.0010719800000000, 0.0041891900000000 ] - [ 0.0066986900000000, 0.0043596000000000, -0.0007949800000000 ] - [ -0.0106777100000000, 0.0064391000000000, 0.0109622300000000 ] - [ 0.0020683500000000, 0.0013758500000000, -0.0046458600000000 ] - [ 0.0020274300000000, 0.0007302700000000, 0.0043890700000000 ] - [ 0.0075503200000000, 0.0043885800000000, -0.0025297800000000 ] - [ -0.0125705500000000, -0.0068612000000000, 0.0125585200000000 ] - [ -0.0001330900000000, -0.0009563200000000, 0.0015738800000000 ] - [ 0.0063398100000000, -0.0052607600000000, -0.0008289300000000 ] - [ -0.0019331500000000, -0.0005704600000000, -0.0002997600000000 ] - [ -0.0102748600000000, -0.0020286200000000, 0.0100939100000000 ] - [ -0.0047727400000000, -0.0008396400000000, 0.0000452200000000 ] - [ -0.0012367700000000, -0.0004035800000000, 0.0005467200000000 ] - [ 0.0015275400000000, -0.0018261600000000, -0.0048548000000000 ] - [ -0.0019729000000000, 0.0008562900000000, -0.0004659300000000 ] - [ -0.0010198600000000, 0.0009402400000000, 0.0015466100000000 ] - [ -0.0091629600000000, -0.0020095800000000, 0.0098249800000000 ] - [ 0.0074426800000000, -0.0041935300000000, -0.0025801200000000 ] - [ 0.0011199900000000, 0.0010091900000000, -0.0021445600000000 ] - [ 0.0024007100000000, -0.0004985500000000, 0.0038646300000000 ] - [ -0.0016309400000000, 0.0008589600000000, 0.0009769300000000 ] - [ -0.0013343500000000, 0.0000607900000000, -0.0000880500000000 ] - [ -0.0006192000000000, -0.0002454300000000, -0.0002643500000000 ] - [ -0.0044525000000000, 0.0007044900000000, -0.0006944700000000 ] - [ -0.0169257600000000, 0.0059018900000000, 0.0092592900000000 ] - [ 0.0010412300000000, 0.0000803600000000, -0.0003473200000000 ] - [ 0.0008037200000000, 0.0001581400000000, -0.0000182100000000 ] - [ 0.0008565300000000, -0.0001194600000000, 0.0001978600000000 ] - [ -0.0007352000000000, 0.0003547800000000, -0.0001927100000000 ] - [ 0.0010362700000000, -0.0000779700000000, -0.0001095000000000 ] - [ 0.0003610800000000, 0.0002434100000000, 0.0011939900000000 ] - [ 0.0002314800000000, -0.0005206800000000, 0.0003120700000000 ] - [ 0.0008392800000000, 0.0000462000000000, -0.0004549200000000 ] - [ -0.0005134300000000, -0.0000815400000000, -0.0001484200000000 ] - [ 0.0022512500000000, -0.0006832200000000, 0.0016308500000000 ] - [ -0.0000690100000000, -0.0000790900000000, 0.0003440000000000 ] - [ 0.0000348300000000, 0.0002012100000000, -0.0001690600000000 ] - [ 0.0035084200000000, 0.0000127800000000, 0.0005559100000000 ] - [ -0.0001486000000000, -0.0003556400000000, 0.0002946900000000 ] - [ 0.0019898400000000, 0.0014776000000000, -0.0013038900000000 ] - [ 0.0005227000000000, 0.0004975600000000, -0.0002599000000000 ] - [ 0.0010356900000000, 0.0002650900000000, -0.0003109400000000 ] - [ 0.0021348000000000, 0.0010234400000000, -0.0013292100000000 ] - [ -0.0010572700000000, -0.0003836600000000, -0.0003757700000000 ] - [ 0.0019507900000000, -0.0011910500000000, -0.0014646800000000 ] - [ 0.0026160200000000, -0.0000184100000000, 0.0005422100000000 ] - [ 0.0008394400000000, 0.0005898200000000, -0.0007861300000000 ] - [ -0.0001928500000000, 0.0002646300000000, 0.0003058600000000 ] - [ -0.0012220500000000, -0.0004936600000000, -0.0005166000000000 ] - [ 0.0026256400000000, 0.0009139100000000, 0.0010815200000000 ] - [ 0.0017384700000000, -0.0005698200000000, -0.0009043600000000 ] - [ 0.0029893100000000, 0.0009401800000000, -0.0041661500000000 ] - [ 0.0036957600000000, -0.0011206300000000, -0.0043368100000000 ] - [ 0.0013765900000000, -0.0003985300000000, -0.0010197900000000 ] - [ 0.0011394300000000, 0.0000648300000000, 0.0004231700000000 ]- atom: 2 displacement: [ 0.0099999987502926, 0.0000000000000000, -0.0000049994145799 ] forces: - [ 0.0074683500000000, -0.0066784700000000, -0.0129113300000000 ] - [ -0.1381403500000000, 0.0231125500000000, -0.0180400400000000 ] - [ 0.0068622500000000, 0.0003037800000000, 0.0006961300000000 ] - [ -0.0031127500000000, -0.0006911700000000, -0.0155338500000000 ] - [ 0.0014672800000000, -0.0003838800000000, 0.0028722100000000 ] - [ -0.0205197300000000, -0.0023322500000000, 0.0114163000000000 ] - [ 0.0055998400000000, 0.0002299400000000, -0.0043091900000000 ] - [ 0.0010049800000000, -0.0001927400000000, -0.0027168100000000 ] - [ 0.0035975000000000, 0.0005531100000000, 0.0004704500000000 ] - [ 0.0040486000000000, -0.0002150300000000, 0.0002672700000000 ] - [ 0.0094282000000000, -0.0012697900000000, -0.0039175000000000 ] - [ 0.0033371000000000, 0.0005677300000000, 0.0020531200000000 ] - [ -0.0016242800000000, 0.0002042000000000, -0.0029062900000000 ] - [ 0.0029016900000000, 0.0004200900000000, 0.0002332400000000 ] - [ 0.0078635700000000, -0.0002074600000000, 0.0038430300000000 ] - [ 0.0009513800000000, -0.0004717600000000, 0.0066227900000000 ] - [ 0.0001317400000000, -0.0003850900000000, -0.0006450700000000 ] - [ -0.0003632700000000, -0.0000328100000000, 0.0012914200000000 ] - [ 0.0005356400000000, 0.0000466100000000, 0.0007014800000000 ] - [ -0.0000074300000000, -0.0005630700000000, -0.0006469300000000 ] - [ -0.0021452300000000, -0.0008929500000000, -0.0176190200000000 ] - [ 0.0145062000000000, 0.0083518600000000, -0.0064511700000000 ] - [ 0.0017959000000000, 0.0000716100000000, -0.0041811600000000 ] - [ 0.0036274300000000, 0.0003875400000000, -0.0010585500000000 ] - [ -0.0049744500000000, 0.0010388100000000, 0.0007348200000000 ] - [ 0.0333963200000000, 0.0071144700000000, 0.0119331300000000 ] - [ -0.0022403600000000, -0.0011083400000000, 0.0014790000000000 ] - [ 0.0020367800000000, 0.0013598300000000, -0.0044529500000000 ] - [ -0.0243546000000000, 0.0003988000000000, 0.0150510100000000 ] - [ 0.0039759100000000, -0.0024386200000000, 0.0065722000000000 ] - [ 0.0036958100000000, -0.0011122600000000, 0.0019360500000000 ] - [ 0.0041497100000000, -0.0002972800000000, -0.0003548900000000 ] - [ 0.0036369100000000, 0.0011866600000000, 0.0035856900000000 ] - [ 0.0185384600000000, -0.0021042300000000, 0.0168816800000000 ] - [ -0.0000786400000000, 0.0008450800000000, 0.0009670200000000 ] - [ 0.0050089900000000, 0.0001890700000000, -0.0011610000000000 ] - [ 0.0009725300000000, 0.0002114200000000, 0.0002855700000000 ] - [ 0.0011402500000000, -0.0000841800000000, 0.0039122200000000 ] - [ 0.0020657700000000, -0.0002404900000000, -0.0007187200000000 ] - [ 0.0001091700000000, 0.0001490000000000, -0.0060753300000000 ] - [ -0.0010180300000000, 0.0006417600000000, -0.0028368200000000 ] - [ -0.0003934200000000, -0.0002421000000000, 0.0010447400000000 ] - [ 0.0003657100000000, -0.0000762300000000, -0.0007362000000000 ] - [ -0.0003239100000000, -0.0000757600000000, 0.0022103300000000 ] - [ 0.0023161000000000, -0.0004246300000000, -0.0032511900000000 ] - [ 0.0022165800000000, 0.0009468400000000, 0.0014489700000000 ] - [ -0.0013013200000000, 0.0002555500000000, 0.0011700500000000 ] - [ -0.0002844400000000, -0.0004904600000000, -0.0008143800000000 ] - [ 0.0002129300000000, -0.0005176700000000, 0.0000213900000000 ] - [ -0.0002136900000000, -0.0004538700000000, -0.0012090800000000 ] - [ -0.0009684400000000, -0.0000569000000000, 0.0002602700000000 ] - [ -0.0004396500000000, 0.0000399200000000, -0.0003122800000000 ] - [ 0.0076637700000000, -0.0010861500000000, 0.0082736100000000 ] - [ 0.0138994800000000, 0.0063176700000000, 0.0035794900000000 ] - [ -0.0071808600000000, 0.0029253100000000, 0.0022709300000000 ] - [ 0.0005544400000000, -0.0000115000000000, 0.0015728700000000 ] - [ -0.0002797100000000, -0.0016849700000000, 0.0052934400000000 ] - [ -0.0029735500000000, 0.0008068700000000, 0.0023915000000000 ] - [ -0.0007573600000000, -0.0004862900000000, 0.0013283300000000 ] - [ -0.0022468000000000, 0.0002058100000000, 0.0051249500000000 ] - [ 0.0030875000000000, 0.0006297000000000, 0.0015078100000000 ] - [ -0.0032357600000000, 0.0005922500000000, 0.0000148400000000 ] - [ 0.0178206100000000, -0.0010714300000000, -0.0052748400000000 ] - [ 0.0116211400000000, -0.0035701300000000, -0.0135084200000000 ] - [ -0.0003622400000000, 0.0049783700000000, -0.0069129600000000 ] - [ 0.0152346500000000, -0.0006596700000000, -0.0011268200000000 ] - [ -0.0029001900000000, -0.0007145600000000, -0.0019555800000000 ] - [ -0.0061263900000000, -0.0037039800000000, 0.0017900100000000 ] - [ -0.0067730300000000, 0.0004580900000000, -0.0041794700000000 ] - [ 0.0017680000000000, 0.0011297100000000, -0.0028649100000000 ] - [ -0.0000888300000000, 0.0002947700000000, 0.0021336400000000 ] - [ 0.0006566800000000, -0.0003778200000000, -0.0015167300000000 ] - [ -0.0031113000000000, 0.0000899800000000, -0.0004960300000000 ] - [ 0.0096469100000000, 0.0014248000000000, 0.0044724700000000 ] - [ -0.0014166000000000, 0.0002252400000000, 0.0019234100000000 ] - [ 0.0022361000000000, 0.0003416500000000, 0.0017078000000000 ] - [ 0.0184736700000000, -0.0111292200000000, 0.0047914300000000 ] - [ -0.0022046000000000, 0.0003886900000000, -0.0014057100000000 ] - [ -0.0007716600000000, 0.0009301200000000, -0.0026677300000000 ] - [ 0.0005801800000000, -0.0000143100000000, -0.0017703500000000 ] - [ 0.0060817700000000, -0.0017740900000000, -0.0013478600000000 ] - [ 0.0375052200000000, -0.0148560400000000, 0.0012086900000000 ] - [ -0.0012861000000000, 0.0002885800000000, -0.0003493600000000 ] - [ -0.0018596900000000, -0.0003888700000000, 0.0001891800000000 ] - [ -0.0030290000000000, 0.0015304900000000, 0.0011165700000000 ] - [ -0.0008893400000000, -0.0000638800000000, -0.0017497100000000 ] - [ -0.0038893900000000, 0.0002784700000000, -0.0017380900000000 ] - [ -0.0054748600000000, 0.0013722100000000, 0.0006059900000000 ] - [ -0.0027374600000000, -0.0005946000000000, -0.0028565400000000 ] - [ -0.0014188700000000, 0.0005010500000000, -0.0005117200000000 ] - [ -0.0005333800000000, -0.0002031300000000, -0.0006225200000000 ] - [ -0.0061592400000000, 0.0005165900000000, -0.0021620700000000 ] - [ -0.0015274700000000, -0.0003294500000000, -0.0001025700000000 ] - [ -0.0021023400000000, 0.0000116300000000, 0.0011518500000000 ] - [ -0.0008317300000000, -0.0005840500000000, 0.0007683900000000 ] - [ -0.0018962700000000, -0.0000238000000000, -0.0004899000000000 ] - [ 0.0012029900000000, -0.0000896700000000, 0.0031317000000000 ] - [ -0.0027163100000000, -0.0001125100000000, 0.0003694700000000 ] - [ -0.0034935100000000, -0.0019248200000000, 0.0032262900000000 ] - [ -0.0004538000000000, 0.0001355500000000, 0.0000727300000000 ] - [ -0.0012924000000000, -0.0004703500000000, -0.0025953800000000 ] - [ -0.0002021400000000, 0.0004106900000000, 0.0005158800000000 ] - [ -0.0094518000000000, -0.0039045800000000, 0.0087338000000000 ] - [ -0.0018228800000000, -0.0002104800000000, -0.0006757600000000 ] - [ -0.0018846200000000, -0.0000528400000000, -0.0025834400000000 ] - [ -0.0012496100000000, -0.0003282800000000, -0.0011374200000000 ] - [ -0.0019804400000000, -0.0000821100000000, -0.0007196000000000 ] - [ -0.0014976300000000, 0.0015117500000000, 0.0043148100000000 ] - [ -0.0011363700000000, -0.0010153900000000, 0.0039619000000000 ] - [ 0.0014449100000000, -0.0009265400000000, 0.0001189600000000 ] - [ -0.0012312600000000, -0.0000449700000000, -0.0007344700000000 ] - [ -0.0034628200000000, -0.0003922700000000, -0.0007086100000000 ]- atom: 2 displacement: [ -0.0099999987502926, 0.0000000000000000, 0.0000049994145799 ] forces: - [ -0.0074499400000000, 0.0074468500000000, 0.0128070800000000 ] - [ 0.1359678100000000, -0.0225317700000000, 0.0178991500000000 ] - [ -0.0070679300000000, 0.0003028000000000, -0.0019177600000000 ] - [ 0.0029710800000000, 0.0007774800000000, 0.0159678000000000 ] - [ -0.0014623500000000, -0.0000660500000000, -0.0028608700000000 ] - [ 0.0207531800000000, 0.0029280000000000, -0.0101241400000000 ] - [ -0.0050563800000000, -0.0003744900000000, 0.0049850800000000 ] - [ -0.0007650300000000, 0.0002604400000000, 0.0022754000000000 ] - [ -0.0035918900000000, 0.0003141400000000, -0.0004718200000000 ] - [ -0.0045594200000000, 0.0000714200000000, -0.0009719800000000 ] - [ -0.0096895300000000, 0.0018777900000000, 0.0026888700000000 ] - [ -0.0035578300000000, -0.0004979500000000, -0.0016201200000000 ] - [ 0.0016358700000000, -0.0006544800000000, 0.0028858900000000 ] - [ -0.0026610000000000, 0.0001793000000000, 0.0009853300000000 ] - [ -0.0073301100000000, 0.0000641100000000, -0.0031354300000000 ] - [ -0.0007089900000000, 0.0005364800000000, -0.0070311800000000 ] - [ 0.0003586500000000, -0.0000211200000000, 0.0007397500000000 ] - [ -0.0001351700000000, -0.0004380200000000, -0.0013828300000000 ] - [ -0.0000455900000000, -0.0004484600000000, -0.0006093300000000 ] - [ -0.0004845300000000, 0.0000877400000000, 0.0005547800000000 ] - [ 0.0018821200000000, -0.0002662100000000, 0.0182793200000000 ] - [ -0.0151386300000000, -0.0085065600000000, 0.0058769100000000 ] - [ -0.0010964500000000, 0.0001310800000000, 0.0051763400000000 ] - [ -0.0029915300000000, -0.0003378400000000, 0.0016164500000000 ] - [ 0.0038783900000000, 0.0001142000000000, -0.0007205600000000 ] - [ -0.0328061400000000, -0.0082378500000000, -0.0124841900000000 ] - [ 0.0029054600000000, 0.0006316500000000, -0.0015310600000000 ] - [ -0.0009581900000000, -0.0002124900000000, 0.0044013200000000 ] - [ 0.0234518100000000, -0.0001947700000000, -0.0161032300000000 ] - [ -0.0046261500000000, 0.0019475300000000, -0.0064755300000000 ] - [ -0.0038850600000000, -0.0000661200000000, -0.0011820100000000 ] - [ -0.0047555300000000, 0.0003418800000000, -0.0002186000000000 ] - [ -0.0029381400000000, -0.0009834000000000, -0.0025680400000000 ] - [ -0.0179597100000000, 0.0021969300000000, -0.0164134600000000 ] - [ -0.0009901000000000, 0.0003042300000000, -0.0009221000000000 ] - [ -0.0048085500000000, -0.0013658000000000, 0.0004077900000000 ] - [ -0.0003119300000000, -0.0006854200000000, -0.0003540200000000 ] - [ -0.0000742800000000, 0.0012286300000000, -0.0039382200000000 ] - [ -0.0027553500000000, 0.0004425900000000, -0.0002960600000000 ] - [ -0.0007562300000000, -0.0006226500000000, 0.0061427600000000 ] - [ 0.0007179800000000, -0.0004839200000000, 0.0026605100000000 ] - [ 0.0001520800000000, -0.0005401300000000, -0.0007261400000000 ] - [ -0.0001179800000000, -0.0007215100000000, 0.0004372800000000 ] - [ 0.0007267500000000, -0.0003602100000000, -0.0018895200000000 ] - [ -0.0027028100000000, -0.0000151500000000, 0.0029109100000000 ] - [ -0.0019039200000000, -0.0007926700000000, -0.0013024800000000 ] - [ 0.0009951700000000, -0.0001084600000000, -0.0013352000000000 ] - [ 0.0000467200000000, -0.0002987800000000, 0.0011232100000000 ] - [ 0.0000301600000000, -0.0002865000000000, -0.0003187500000000 ] - [ 0.0006199800000000, 0.0000184700000000, 0.0015234600000000 ] - [ 0.0005520300000000, -0.0003701200000000, -0.0005856800000000 ] - [ 0.0007472200000000, 0.0001119400000000, 0.0004678300000000 ] - [ -0.0070221400000000, 0.0017130100000000, -0.0084244800000000 ] - [ -0.0138979100000000, -0.0064374700000000, -0.0050733900000000 ] - [ 0.0071992100000000, -0.0024479800000000, -0.0012983200000000 ] - [ -0.0000628400000000, -0.0001266600000000, -0.0012425300000000 ] - [ 0.0002008500000000, 0.0016632000000000, -0.0057656000000000 ] - [ 0.0025234900000000, -0.0004052700000000, -0.0011753200000000 ] - [ 0.0011407300000000, -0.0003872500000000, -0.0013039200000000 ] - [ 0.0030447000000000, 0.0000409900000000, -0.0053814300000000 ] - [ -0.0025408400000000, -0.0011065200000000, -0.0012388100000000 ] - [ 0.0028430200000000, -0.0003570900000000, 0.0005295600000000 ] - [ -0.0177307700000000, 0.0013517300000000, 0.0055469900000000 ] - [ -0.0121687500000000, 0.0039359100000000, 0.0137460400000000 ] - [ 0.0012348000000000, -0.0049608300000000, 0.0068791100000000 ] - [ -0.0156604100000000, -0.0003489300000000, 0.0012397600000000 ] - [ 0.0029202400000000, 0.0009972800000000, 0.0021055800000000 ] - [ 0.0055763400000000, 0.0042516700000000, -0.0017145200000000 ] - [ 0.0063829400000000, -0.0005870100000000, 0.0048544900000000 ] - [ -0.0013661800000000, -0.0006717300000000, 0.0024358600000000 ] - [ -0.0004516500000000, -0.0007574000000000, -0.0023506300000000 ] - [ -0.0006890500000000, 0.0006622200000000, 0.0013517900000000 ] - [ 0.0021973700000000, -0.0000974300000000, 0.0004738300000000 ] - [ -0.0096039400000000, -0.0009700000000000, -0.0054599300000000 ] - [ 0.0012937100000000, -0.0000422900000000, -0.0019532400000000 ] - [ -0.0027255800000000, -0.0004815500000000, -0.0020152600000000 ] - [ -0.0190561600000000, 0.0119841500000000, -0.0061778400000000 ] - [ 0.0017952300000000, 0.0000663600000000, 0.0018194700000000 ] - [ 0.0000556500000000, -0.0011062400000000, 0.0028215300000000 ] - [ 0.0001359800000000, -0.0001670700000000, 0.0015972300000000 ] - [ -0.0057266000000000, 0.0016413000000000, 0.0006471500000000 ] - [ -0.0348155600000000, 0.0139610100000000, -0.0002540500000000 ] - [ 0.0018023800000000, 0.0002904000000000, 0.0002653200000000 ] - [ 0.0022902900000000, 0.0007869200000000, -0.0013889400000000 ] - [ 0.0030444000000000, -0.0010622700000000, -0.0001333300000000 ] - [ 0.0013809800000000, -0.0000775000000000, 0.0020681900000000 ] - [ 0.0037858500000000, -0.0002933400000000, 0.0012063600000000 ] - [ 0.0050168700000000, -0.0009703400000000, 0.0006210900000000 ] - [ 0.0031209400000000, -0.0002799700000000, 0.0028719100000000 ] - [ 0.0022220000000000, -0.0002539100000000, 0.0002264300000000 ] - [ 0.0010689000000000, -0.0002607700000000, 0.0008458900000000 ] - [ 0.0057634400000000, -0.0002653300000000, 0.0027104100000000 ] - [ 0.0016414100000000, 0.0005114800000000, 0.0001416400000000 ] - [ 0.0012922000000000, 0.0002351500000000, -0.0008623400000000 ] - [ 0.0017310800000000, 0.0005712700000000, -0.0007399400000000 ] - [ 0.0015049800000000, -0.0008496100000000, 0.0004712700000000 ] - [ -0.0011947000000000, 0.0003629300000000, -0.0029695700000000 ] - [ 0.0021942600000000, 0.0006915600000000, -0.0002827800000000 ] - [ 0.0031501100000000, 0.0018037600000000, -0.0025317800000000 ] - [ 0.0008556700000000, 0.0003169600000000, -0.0004886500000000 ] - [ 0.0007519700000000, 0.0000060400000000, 0.0023620900000000 ] - [ 0.0001731400000000, -0.0001252500000000, -0.0006686700000000 ] - [ 0.0085645300000000, 0.0039928500000000, -0.0088100000000000 ] - [ 0.0018016800000000, 0.0006790200000000, -0.0003049100000000 ] - [ 0.0017629300000000, 0.0002376500000000, 0.0025418000000000 ] - [ 0.0007516800000000, 0.0001866600000000, 0.0008081800000000 ] - [ 0.0023554700000000, 0.0003143300000000, 0.0001793400000000 ] - [ 0.0010836600000000, -0.0010638600000000, -0.0039036300000000 ] - [ 0.0004065300000000, 0.0008358600000000, -0.0037841900000000 ] - [ -0.0007300800000000, 0.0007466400000000, -0.0002671000000000 ] - [ 0.0015753200000000, -0.0000816200000000, 0.0000356200000000 ] - [ 0.0035561100000000, 0.0003773700000000, 0.0012382500000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0017549300000000, 0.0125354300000000, 0.0000048900000000 ] - [ 0.0230180500000000, -0.0828982900000000, -0.0061409600000000 ] - [ -0.0006325100000000, 0.0003179200000000, -0.0007813000000000 ] - [ -0.0026384600000000, -0.0066246900000000, 0.0004639800000000 ] - [ -0.0000173500000000, -0.0002208400000000, -0.0003655300000000 ] - [ -0.0001334900000000, 0.0140996000000000, 0.0004598000000000 ] - [ -0.0000458100000000, -0.0002958700000000, 0.0010223900000000 ] - [ -0.0001033200000000, -0.0000104700000000, 0.0001244400000000 ] - [ -0.0000882600000000, 0.0004378500000000, 0.0003222800000000 ] - [ -0.0004069300000000, -0.0000954500000000, -0.0002741600000000 ] - [ 0.0006912900000000, -0.0012406100000000, -0.0001201900000000 ] - [ -0.0003341400000000, -0.0000271700000000, -0.0000406400000000 ] - [ -0.0006546600000000, 0.0001179600000000, 0.0003200800000000 ] - [ -0.0000511100000000, 0.0003012600000000, 0.0008644600000000 ] - [ 0.0003923800000000, 0.0009503800000000, 0.0014039800000000 ] - [ 0.0002255900000000, 0.0001719000000000, -0.0008790500000000 ] - [ 0.0002657900000000, -0.0002041200000000, 0.0000018900000000 ] - [ -0.0001434700000000, -0.0002933600000000, -0.0001152900000000 ] - [ 0.0002558500000000, -0.0002632600000000, 0.0000580500000000 ] - [ -0.0002301800000000, -0.0002379500000000, -0.0000757400000000 ] - [ -0.0011186500000000, -0.0140970200000000, 0.0003556000000000 ] - [ 0.0140382600000000, 0.0146707000000000, -0.0055255900000000 ] - [ 0.0003853100000000, 0.0001612400000000, 0.0004388300000000 ] - [ 0.0000817300000000, -0.0000244800000000, 0.0005801600000000 ] - [ 0.0002934000000000, -0.0005222900000000, 0.0007011200000000 ] - [ -0.0050366200000000, -0.0050838000000000, -0.0021537700000000 ] - [ 0.0004279400000000, -0.0006033700000000, -0.0000420300000000 ] - [ 0.0002589100000000, 0.0005589100000000, 0.0001136300000000 ] - [ -0.0027041600000000, 0.0343877500000000, 0.0125444400000000 ] - [ -0.0006507800000000, 0.0003131800000000, -0.0010630700000000 ] - [ -0.0002197000000000, -0.0005994100000000, 0.0005559200000000 ] - [ -0.0007157600000000, 0.0000799000000000, -0.0001323500000000 ] - [ -0.0001473300000000, -0.0001265400000000, 0.0003978200000000 ] - [ -0.0071108800000000, -0.0041197900000000, -0.0035808500000000 ] - [ -0.0004020600000000, 0.0005133500000000, -0.0002322800000000 ] - [ 0.0003510200000000, -0.0003773100000000, -0.0003493900000000 ] - [ 0.0003724700000000, -0.0001284100000000, 0.0003264000000000 ] - [ 0.0006992600000000, 0.0006323400000000, -0.0004191400000000 ] - [ -0.0004165100000000, 0.0001303900000000, -0.0005693700000000 ] - [ -0.0006845600000000, 0.0001019000000000, -0.0006814700000000 ] - [ -0.0005034600000000, -0.0001935400000000, 0.0001940300000000 ] - [ -0.0001164200000000, -0.0004114700000000, 0.0001584200000000 ] - [ 0.0000246100000000, -0.0003787600000000, -0.0002183200000000 ] - [ 0.0003502800000000, -0.0002957100000000, -0.0000783000000000 ] - [ -0.0006307700000000, -0.0003175500000000, 0.0001304700000000 ] - [ 0.0002771300000000, 0.0004264400000000, -0.0000818500000000 ] - [ -0.0001868100000000, 0.0001210000000000, -0.0000078400000000 ] - [ -0.0002085300000000, -0.0003666200000000, 0.0002268900000000 ] - [ 0.0001033500000000, -0.0004163500000000, -0.0001179700000000 ] - [ 0.0002240300000000, -0.0002102900000000, 0.0002432500000000 ] - [ -0.0002292100000000, -0.0002125800000000, -0.0000861900000000 ] - [ 0.0001865900000000, 0.0000772200000000, 0.0000090400000000 ] - [ -0.0053372100000000, 0.0041157800000000, 0.0089608300000000 ] - [ 0.0032087300000000, 0.0078463400000000, 0.0058376900000000 ] - [ 0.0015990500000000, -0.0007253600000000, 0.0000664500000000 ] - [ 0.0004104200000000, -0.0001883200000000, 0.0001128000000000 ] - [ 0.0009372000000000, 0.0006501600000000, -0.0009866300000000 ] - [ 0.0000630300000000, 0.0001272700000000, 0.0003122800000000 ] - [ 0.0002011100000000, -0.0005151700000000, -0.0001083300000000 ] - [ -0.0001016300000000, 0.0002453600000000, -0.0000741100000000 ] - [ 0.0002499100000000, 0.0007138400000000, -0.0025868900000000 ] - [ 0.0000251200000000, 0.0001140000000000, 0.0002247100000000 ] - [ -0.0073823400000000, 0.0074696500000000, 0.0079258000000000 ] - [ -0.0022134700000000, -0.0070899000000000, -0.0041121200000000 ] - [ 0.0009765200000000, -0.0015928700000000, 0.0012167100000000 ] - [ 0.0059472400000000, -0.0012751400000000, -0.0012115400000000 ] - [ 0.0002583200000000, 0.0001744300000000, 0.0003851200000000 ] - [ -0.0002868000000000, 0.0018794700000000, -0.0005589200000000 ] - [ 0.0012400000000000, 0.0000057100000000, 0.0011509900000000 ] - [ -0.0000623400000000, 0.0002891800000000, -0.0003222700000000 ] - [ -0.0001615700000000, -0.0002105800000000, -0.0002077100000000 ] - [ -0.0000967200000000, 0.0002114800000000, 0.0001279500000000 ] - [ -0.0001773000000000, -0.0000076000000000, -0.0000082300000000 ] - [ 0.0027504100000000, 0.0058240100000000, -0.0064604600000000 ] - [ -0.0000497000000000, 0.0001715500000000, -0.0001781300000000 ] - [ -0.0001551100000000, 0.0003232000000000, 0.0000500100000000 ] - [ -0.0086078600000000, 0.0111377400000000, -0.0090029000000000 ] - [ -0.0000742000000000, 0.0001538000000000, 0.0004123400000000 ] - [ -0.0003934000000000, -0.0002240300000000, 0.0004337300000000 ] - [ 0.0002810400000000, -0.0000232300000000, 0.0001591400000000 ] - [ -0.0002137000000000, 0.0002084700000000, 0.0003579700000000 ] - [ -0.0065611700000000, 0.0061526400000000, 0.0003283500000000 ] - [ 0.0003160200000000, 0.0002615600000000, -0.0001496600000000 ] - [ 0.0003799500000000, 0.0002327300000000, -0.0007547100000000 ] - [ 0.0000432800000000, 0.0002529500000000, 0.0001818400000000 ] - [ 0.0002778700000000, -0.0000267900000000, 0.0003496100000000 ] - [ -0.0000422200000000, 0.0000051600000000, -0.0003533500000000 ] - [ 0.0024967800000000, -0.0004513900000000, -0.0007845300000000 ] - [ 0.0008878300000000, -0.0006970100000000, 0.0003129900000000 ] - [ 0.0006284600000000, 0.0001436100000000, -0.0004248600000000 ] - [ 0.0002891300000000, -0.0002285000000000, 0.0002341200000000 ] - [ -0.0042030200000000, 0.0008771800000000, -0.0007258100000000 ] - [ 0.0001340200000000, 0.0001039100000000, 0.0000434400000000 ] - [ -0.0003689300000000, 0.0001384300000000, 0.0000925700000000 ] - [ 0.0005275200000000, 0.0000972900000000, -0.0001558200000000 ] - [ -0.0001078500000000, -0.0004532300000000, 0.0000283800000000 ] - [ 0.0005722600000000, 0.0006745600000000, 0.0004292000000000 ] - [ -0.0005453000000000, 0.0002502300000000, -0.0000071700000000 ] - [ -0.0007407600000000, -0.0002336500000000, 0.0008714300000000 ] - [ 0.0002431800000000, 0.0002666700000000, -0.0004109500000000 ] - [ -0.0002459500000000, -0.0002464300000000, 0.0001007200000000 ] - [ 0.0000108700000000, 0.0001039100000000, -0.0002011000000000 ] - [ -0.0029740400000000, 0.0023047600000000, 0.0022627300000000 ] - [ 0.0000468900000000, 0.0002698200000000, -0.0006095400000000 ] - [ 0.0003375700000000, 0.0003960900000000, 0.0001163000000000 ] - [ -0.0002139400000000, -0.0000778400000000, -0.0000404400000000 ] - [ 0.0003108500000000, 0.0001401400000000, -0.0003430000000000 ] - [ 0.0003588200000000, 0.0000994600000000, 0.0008104200000000 ] - [ -0.0000059100000000, -0.0001115400000000, 0.0001174700000000 ] - [ 0.0004724400000000, -0.0000216600000000, -0.0007797100000000 ] - [ 0.0002182000000000, -0.0001458900000000, -0.0005268200000000 ] - [ 0.0000159700000000, -0.0000956100000000, 0.0001820100000000 ]- atom: 2 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0018935300000000, -0.0116166400000000, -0.0000738900000000 ] - [ -0.0225924200000000, 0.0831206200000000, 0.0049888400000000 ] - [ 0.0003835000000000, 0.0002834200000000, -0.0004478600000000 ] - [ 0.0023928800000000, 0.0067018900000000, -0.0000521100000000 ] - [ 0.0000160300000000, -0.0002309000000000, 0.0003621400000000 ] - [ 0.0003711500000000, -0.0135037600000000, 0.0006206800000000 ] - [ 0.0005584300000000, 0.0001497400000000, -0.0003023400000000 ] - [ 0.0003346700000000, 0.0000790800000000, -0.0005424900000000 ] - [ 0.0000843400000000, 0.0004317700000000, -0.0003225700000000 ] - [ -0.0001213500000000, -0.0000480300000000, -0.0004308400000000 ] - [ -0.0009279000000000, 0.0018386300000000, -0.0011034500000000 ] - [ 0.0000944200000000, 0.0000945400000000, 0.0004639700000000 ] - [ 0.0006503600000000, -0.0005698700000000, -0.0003103500000000 ] - [ 0.0002822200000000, 0.0002977400000000, 0.0003646400000000 ] - [ 0.0001206000000000, -0.0010983100000000, -0.0007063400000000 ] - [ 0.0000087600000000, -0.0001038600000000, 0.0004480000000000 ] - [ 0.0002305800000000, -0.0002020000000000, 0.0000929500000000 ] - [ -0.0003485400000000, -0.0001822000000000, 0.0000165900000000 ] - [ 0.0002390900000000, -0.0001411100000000, 0.0000407300000000 ] - [ -0.0002628500000000, -0.0002392600000000, -0.0000198900000000 ] - [ 0.0008918000000000, 0.0129163600000000, 0.0004899500000000 ] - [ -0.0148861900000000, -0.0146393800000000, 0.0049784200000000 ] - [ 0.0003089700000000, 0.0000437300000000, 0.0005865900000000 ] - [ 0.0005358600000000, 0.0000725800000000, -0.0000041800000000 ] - [ -0.0013520300000000, 0.0016669700000000, -0.0006538000000000 ] - [ 0.0051143300000000, 0.0038243800000000, 0.0013533500000000 ] - [ 0.0002416700000000, 0.0001348500000000, -0.0000134500000000 ] - [ 0.0008091200000000, 0.0005877300000000, -0.0001407600000000 ] - [ 0.0020155800000000, -0.0341397100000000, -0.0131318200000000 ] - [ -0.0000200400000000, -0.0007791600000000, 0.0011030700000000 ] - [ 0.0000241900000000, -0.0005779000000000, 0.0002009800000000 ] - [ 0.0000833500000000, -0.0000299800000000, -0.0004367100000000 ] - [ 0.0008432700000000, 0.0003298900000000, 0.0006169100000000 ] - [ 0.0077377800000000, 0.0041763900000000, 0.0041307300000000 ] - [ -0.0006742400000000, 0.0006344000000000, 0.0002678400000000 ] - [ -0.0001652700000000, -0.0008019900000000, -0.0004078700000000 ] - [ 0.0002937100000000, -0.0003439400000000, -0.0003773500000000 ] - [ 0.0003772100000000, 0.0005159500000000, 0.0003778700000000 ] - [ -0.0002846000000000, 0.0000742800000000, -0.0004476100000000 ] - [ 0.0000124100000000, -0.0005719000000000, 0.0007404000000000 ] - [ 0.0001863000000000, 0.0003504800000000, -0.0003403300000000 ] - [ -0.0001435600000000, -0.0003797300000000, 0.0001533700000000 ] - [ 0.0002357200000000, -0.0004200900000000, -0.0000895300000000 ] - [ 0.0000471900000000, -0.0001443700000000, 0.0003848300000000 ] - [ 0.0002165700000000, -0.0001167700000000, -0.0004384800000000 ] - [ 0.0000383600000000, -0.0002638100000000, 0.0002219900000000 ] - [ -0.0001264500000000, 0.0000394600000000, -0.0001451800000000 ] - [ -0.0000543600000000, -0.0004252100000000, 0.0000868700000000 ] - [ 0.0001593900000000, -0.0003828900000000, -0.0001860800000000 ] - [ 0.0001738700000000, -0.0002300100000000, 0.0000677100000000 ] - [ -0.0001710700000000, -0.0002243200000000, -0.0002264600000000 ] - [ 0.0001306900000000, 0.0000840100000000, 0.0001391300000000 ] - [ 0.0059021900000000, -0.0033604000000000, -0.0091272600000000 ] - [ -0.0032935400000000, -0.0081437400000000, -0.0074323100000000 ] - [ -0.0015449000000000, 0.0011862300000000, 0.0009087100000000 ] - [ 0.0000791700000000, 0.0000478600000000, 0.0002086800000000 ] - [ -0.0010424800000000, -0.0006658600000000, 0.0004410000000000 ] - [ -0.0004914600000000, 0.0002705000000000, 0.0008853600000000 ] - [ 0.0001825400000000, -0.0003624100000000, 0.0001200600000000 ] - [ 0.0009128700000000, 0.0000054700000000, -0.0002232200000000 ] - [ 0.0003007500000000, -0.0011705100000000, 0.0027994500000000 ] - [ -0.0003967000000000, 0.0001174200000000, 0.0003167400000000 ] - [ 0.0073303100000000, -0.0070028100000000, -0.0073799800000000 ] - [ 0.0015719300000000, 0.0078024000000000, 0.0044116700000000 ] - [ -0.0000802500000000, 0.0015860700000000, -0.0011977400000000 ] - [ -0.0064705100000000, -0.0000187100000000, 0.0016639700000000 ] - [ -0.0002227600000000, 0.0001083000000000, -0.0002224400000000 ] - [ -0.0002321600000000, -0.0012754600000000, 0.0006370100000000 ] - [ -0.0015674700000000, -0.0001398500000000, -0.0004360700000000 ] - [ 0.0004634700000000, 0.0001620400000000, -0.0000922500000000 ] - [ -0.0003838500000000, -0.0002557300000000, -0.0000251500000000 ] - [ 0.0000646100000000, 0.0000708700000000, -0.0002858000000000 ] - [ -0.0007177800000000, -0.0000055500000000, -0.0000169400000000 ] - [ -0.0027326800000000, -0.0055123500000000, 0.0053485600000000 ] - [ -0.0000704000000000, 0.0000146700000000, 0.0001322600000000 ] - [ -0.0003362900000000, -0.0004620300000000, -0.0003832000000000 ] - [ 0.0086395600000000, -0.0109019000000000, 0.0082365300000000 ] - [ -0.0003246800000000, 0.0003017200000000, 0.0000112100000000 ] - [ -0.0003256200000000, 0.0000417400000000, -0.0002600700000000 ] - [ 0.0004386000000000, -0.0001576500000000, -0.0003278300000000 ] - [ 0.0005551400000000, -0.0003370600000000, -0.0010639900000000 ] - [ 0.0068653700000000, -0.0061769100000000, 0.0002651900000000 ] - [ 0.0002060700000000, 0.0003143200000000, 0.0000611000000000 ] - [ 0.0000584800000000, 0.0001676600000000, -0.0004509300000000 ] - [ -0.0000260700000000, 0.0002209000000000, 0.0008042500000000 ] - [ 0.0002109800000000, -0.0001121800000000, -0.0000233500000000 ] - [ -0.0000585700000000, -0.0000170100000000, -0.0001805900000000 ] - [ -0.0029397900000000, 0.0008544300000000, 0.0019970300000000 ] - [ -0.0005054900000000, -0.0001792500000000, -0.0002961400000000 ] - [ 0.0001794100000000, 0.0001033000000000, 0.0001334900000000 ] - [ 0.0002589500000000, -0.0002369000000000, -0.0000052600000000 ] - [ 0.0038423100000000, -0.0006513500000000, 0.0012790700000000 ] - [ -0.0000083800000000, 0.0000830300000000, -0.0000023200000000 ] - [ -0.0004359000000000, 0.0001090300000000, 0.0001986800000000 ] - [ 0.0003748400000000, -0.0001080200000000, 0.0001782900000000 ] - [ -0.0002710800000000, -0.0004257600000000, -0.0000425900000000 ] - [ -0.0005360400000000, -0.0003878800000000, -0.0002720000000000 ] - [ 0.0000275300000000, 0.0003258500000000, 0.0000956700000000 ] - [ 0.0003968700000000, 0.0000954400000000, -0.0001675300000000 ] - [ 0.0001599700000000, 0.0001902500000000, -0.0000129200000000 ] - [ -0.0003003300000000, -0.0002189300000000, -0.0003257900000000 ] - [ -0.0000424100000000, 0.0001775700000000, 0.0000397500000000 ] - [ 0.0020437400000000, -0.0023633900000000, -0.0022805700000000 ] - [ -0.0000602500000000, 0.0002041400000000, -0.0003770000000000 ] - [ -0.0004606500000000, -0.0002106100000000, -0.0001550500000000 ] - [ -0.0002725200000000, -0.0000605200000000, -0.0002830200000000 ] - [ 0.0000691100000000, 0.0000925300000000, -0.0001998300000000 ] - [ -0.0007516000000000, 0.0003572400000000, -0.0003936800000000 ] - [ -0.0007069000000000, -0.0000690600000000, 0.0000426600000000 ] - [ 0.0002460800000000, -0.0001584500000000, 0.0006043600000000 ] - [ 0.0001292300000000, 0.0000108700000000, -0.0001789100000000 ] - [ 0.0000924000000000, 0.0000845800000000, 0.0003542000000000 ]- atom: 2 displacement: [ -0.0057565208649526, 0.0000000000000000, 0.0081769473235044 ] forces: - [ -0.0104483200000000, 0.0058356800000000, -0.0092747800000000 ] - [ 0.0637799700000000, -0.0177505200000000, -0.0833008400000000 ] - [ -0.0022282700000000, 0.0001021300000000, -0.0027056400000000 ] - [ -0.0143350200000000, -0.0017699800000000, 0.0205443100000000 ] - [ 0.0014468600000000, -0.0000764900000000, 0.0005410700000000 ] - [ 0.0180307900000000, 0.0005999000000000, 0.0027831600000000 ] - [ -0.0065908300000000, -0.0007860900000000, -0.0000119100000000 ] - [ -0.0028438700000000, 0.0000224100000000, 0.0032763300000000 ] - [ -0.0011975200000000, 0.0002490500000000, -0.0003086200000000 ] - [ -0.0022285600000000, 0.0000738700000000, -0.0001062000000000 ] - [ -0.0068008200000000, 0.0024118800000000, -0.0024255800000000 ] - [ -0.0004899700000000, -0.0001519200000000, 0.0001541400000000 ] - [ -0.0028751600000000, -0.0002649700000000, 0.0044745400000000 ] - [ -0.0013589100000000, 0.0002008700000000, 0.0018404800000000 ] - [ -0.0012446400000000, -0.0008591100000000, -0.0023146100000000 ] - [ 0.0033253200000000, -0.0001881300000000, -0.0009645300000000 ] - [ -0.0003036500000000, -0.0004260800000000, 0.0014036900000000 ] - [ 0.0011094700000000, -0.0012343600000000, 0.0001604300000000 ] - [ 0.0005504200000000, -0.0004469200000000, 0.0004433800000000 ] - [ -0.0004666300000000, -0.0001394300000000, 0.0006654600000000 ] - [ -0.0158599300000000, 0.0001679500000000, 0.0274760200000000 ] - [ -0.0106876400000000, -0.0092651400000000, -0.0163259500000000 ] - [ -0.0033325000000000, 0.0001788300000000, 0.0048077100000000 ] - [ -0.0023547500000000, -0.0002153500000000, 0.0009962600000000 ] - [ 0.0003650800000000, 0.0008058100000000, 0.0055311200000000 ] - [ -0.0087790900000000, -0.0035893700000000, -0.0091406100000000 ] - [ 0.0045216000000000, 0.0015210300000000, 0.0049993700000000 ] - [ -0.0047949000000000, -0.0004644100000000, 0.0054038900000000 ] - [ 0.0277358900000000, 0.0053483400000000, 0.0025914500000000 ] - [ -0.0000589900000000, 0.0009958000000000, -0.0026179000000000 ] - [ -0.0006883600000000, -0.0003932200000000, 0.0006071500000000 ] - [ -0.0023863800000000, 0.0002396300000000, -0.0004541600000000 ] - [ 0.0010817400000000, 0.0001705700000000, -0.0000615000000000 ] - [ 0.0048146500000000, 0.0013326600000000, -0.0051466700000000 ] - [ -0.0012380000000000, 0.0009983100000000, 0.0020690300000000 ] - [ -0.0032283900000000, -0.0013048500000000, -0.0003461600000000 ] - [ 0.0004678000000000, 0.0001875500000000, 0.0025517300000000 ] - [ 0.0027826200000000, 0.0003681900000000, -0.0006895900000000 ] - [ -0.0013980000000000, 0.0001569000000000, 0.0004198400000000 ] - [ -0.0042918500000000, -0.0004886700000000, 0.0026524600000000 ] - [ -0.0012969200000000, -0.0004314100000000, 0.0019415800000000 ] - [ 0.0008122800000000, -0.0008156800000000, -0.0009371000000000 ] - [ -0.0005932400000000, -0.0003392100000000, -0.0008894200000000 ] - [ 0.0025206800000000, -0.0000034800000000, -0.0030839800000000 ] - [ -0.0033035400000000, 0.0008751600000000, -0.0020761300000000 ] - [ -0.0004490500000000, -0.0006848300000000, -0.0037715400000000 ] - [ 0.0010724400000000, 0.0000991600000000, -0.0008984500000000 ] - [ -0.0011500300000000, -0.0001272100000000, 0.0001116900000000 ] - [ 0.0004640400000000, -0.0002013500000000, -0.0009609700000000 ] - [ -0.0002399600000000, -0.0003289100000000, 0.0003480500000000 ] - [ 0.0004482900000000, -0.0003074600000000, -0.0010822300000000 ] - [ 0.0001868800000000, 0.0001130900000000, -0.0003225200000000 ] - [ 0.0034656400000000, 0.0043283000000000, -0.0072021300000000 ] - [ -0.0074893800000000, 0.0003235400000000, 0.0115898500000000 ] - [ 0.0024805400000000, 0.0002483800000000, 0.0025416300000000 ] - [ 0.0018202400000000, -0.0010416800000000, -0.0012441400000000 ] - [ 0.0085370800000000, -0.0007501100000000, 0.0000638400000000 ] - [ 0.0014763100000000, -0.0005162000000000, 0.0002682500000000 ] - [ 0.0021417100000000, 0.0000736500000000, -0.0007934000000000 ] - [ 0.0040602300000000, 0.0005204400000000, -0.0031155700000000 ] - [ -0.0008258800000000, -0.0001395600000000, -0.0051899600000000 ] - [ 0.0017894100000000, 0.0002955500000000, 0.0012627100000000 ] - [ -0.0175084900000000, 0.0114726300000000, 0.0193675600000000 ] - [ -0.0137187900000000, -0.0000347100000000, 0.0208915500000000 ] - [ -0.0022523900000000, -0.0020433000000000, 0.0022921400000000 ] - [ -0.0091642300000000, -0.0055445400000000, 0.0119368500000000 ] - [ 0.0000600900000000, 0.0001106300000000, 0.0005131600000000 ] - [ 0.0021113300000000, 0.0005830100000000, 0.0022442100000000 ] - [ 0.0021018200000000, -0.0002499700000000, 0.0025593900000000 ] - [ -0.0023655800000000, 0.0000875200000000, -0.0012570400000000 ] - [ 0.0012165100000000, -0.0003167200000000, -0.0025244800000000 ] - [ -0.0027078200000000, 0.0011306400000000, -0.0011135800000000 ] - [ 0.0004902200000000, 0.0000506200000000, 0.0002380600000000 ] - [ -0.0016901800000000, 0.0001493100000000, -0.0031841300000000 ] - [ 0.0020354900000000, -0.0005835900000000, -0.0014705500000000 ] - [ -0.0008460500000000, 0.0004051900000000, -0.0034349900000000 ] - [ -0.0016905100000000, -0.0037539500000000, 0.0109486100000000 ] - [ -0.0000835400000000, 0.0003232300000000, 0.0009995500000000 ] - [ -0.0010319400000000, -0.0005697700000000, 0.0008140800000000 ] - [ -0.0002486200000000, -0.0009724300000000, -0.0015037900000000 ] - [ -0.0041555300000000, -0.0007859800000000, -0.0050148900000000 ] - [ -0.0221536500000000, 0.0075087100000000, 0.0053993100000000 ] - [ 0.0007477500000000, 0.0002290900000000, -0.0002754900000000 ] - [ 0.0012747700000000, 0.0003936200000000, -0.0011970200000000 ] - [ 0.0013215600000000, -0.0005978800000000, 0.0008178800000000 ] - [ -0.0009378200000000, 0.0004006800000000, -0.0000699300000000 ] - [ 0.0007659800000000, -0.0000164300000000, 0.0000679700000000 ] - [ -0.0016129600000000, 0.0006057000000000, 0.0041336600000000 ] - [ -0.0005658600000000, -0.0005531500000000, 0.0006456300000000 ] - [ 0.0003591900000000, -0.0000465500000000, 0.0005497900000000 ] - [ 0.0001918500000000, -0.0000605200000000, -0.0005089200000000 ] - [ 0.0033876600000000, -0.0011731300000000, 0.0052840100000000 ] - [ 0.0006359900000000, 0.0001866200000000, -0.0002077400000000 ] - [ 0.0004525200000000, 0.0001223300000000, -0.0006773800000000 ] - [ 0.0016607400000000, 0.0004619400000000, -0.0006679700000000 ] - [ 0.0003916500000000, -0.0005398100000000, -0.0000422800000000 ] - [ 0.0030945400000000, 0.0024921200000000, -0.0021144000000000 ] - [ 0.0010341200000000, 0.0006086900000000, 0.0002581700000000 ] - [ 0.0026545100000000, 0.0003638900000000, 0.0002829500000000 ] - [ 0.0008398400000000, 0.0006651800000000, -0.0014297200000000 ] - [ -0.0012400000000000, -0.0002324200000000, 0.0000238600000000 ] - [ 0.0003511300000000, -0.0003488900000000, -0.0014229100000000 ] - [ 0.0110648400000000, 0.0076634200000000, 0.0011233900000000 ] - [ 0.0006353600000000, 0.0003816700000000, -0.0007257500000000 ] - [ -0.0009043600000000, 0.0002634000000000, 0.0009233400000000 ] - [ -0.0003770100000000, -0.0001554800000000, -0.0005450500000000 ] - [ 0.0014291500000000, 0.0003877000000000, -0.0001897400000000 ] - [ 0.0035182800000000, -0.0015316600000000, -0.0007866100000000 ] - [ 0.0036504300000000, 0.0006985300000000, -0.0045285600000000 ] - [ 0.0019007000000000, -0.0007661800000000, -0.0035526800000000 ] - [ 0.0005813800000000, -0.0005684100000000, -0.0014129400000000 ] - [ 0.0018669500000000, 0.0003568400000000, 0.0007855900000000 ]- atom: 2 displacement: [ 0.0057565208649526, 0.0000000000000000, -0.0081769473235044 ] forces: - [ 0.0105126300000000, -0.0049930400000000, 0.0093725800000000 ] - [ -0.0645396600000000, 0.0176176900000000, 0.0810531400000000 ] - [ 0.0019887000000000, 0.0004975800000000, 0.0014863700000000 ] - [ 0.0139602600000000, 0.0018252500000000, -0.0199241000000000 ] - [ -0.0014538700000000, -0.0003732400000000, -0.0005384700000000 ] - [ -0.0179605800000000, -0.0000153000000000, -0.0014811100000000 ] - [ 0.0071435300000000, 0.0006450000000000, 0.0007394200000000 ] - [ 0.0030883200000000, 0.0000439100000000, -0.0036983400000000 ] - [ 0.0012074000000000, 0.0006187300000000, 0.0003039800000000 ] - [ 0.0017132500000000, -0.0002188600000000, -0.0005978200000000 ] - [ 0.0065603400000000, -0.0018029900000000, 0.0011625500000000 ] - [ 0.0002533700000000, 0.0002191600000000, 0.0002703000000000 ] - [ 0.0028782700000000, -0.0001829400000000, -0.0044753500000000 ] - [ 0.0016010000000000, 0.0003999500000000, -0.0006115900000000 ] - [ 0.0017978200000000, 0.0007101100000000, 0.0030215100000000 ] - [ -0.0030968200000000, 0.0002525900000000, 0.0005755600000000 ] - [ 0.0008012400000000, 0.0000176500000000, -0.0013136800000000 ] - [ -0.0015991100000000, 0.0007560700000000, -0.0002512900000000 ] - [ -0.0000565900000000, 0.0000430800000000, -0.0003439100000000 ] - [ -0.0000258000000000, -0.0003353200000000, -0.0007617300000000 ] - [ 0.0158555900000000, -0.0013452200000000, -0.0271119500000000 ] - [ 0.0101311000000000, 0.0092045700000000, 0.0155717200000000 ] - [ 0.0040417800000000, 0.0000245200000000, -0.0038029200000000 ] - [ 0.0029869400000000, 0.0002632900000000, -0.0004209000000000 ] - [ -0.0014304400000000, 0.0003432800000000, -0.0054797400000000 ] - [ 0.0089273300000000, 0.0023831000000000, 0.0084461200000000 ] - [ -0.0038869800000000, -0.0020092200000000, -0.0050708500000000 ] - [ 0.0058704200000000, 0.0016121400000000, -0.0054500100000000 ] - [ -0.0282914800000000, -0.0050859100000000, -0.0035840100000000 ] - [ -0.0006073600000000, -0.0014662400000000, 0.0026711000000000 ] - [ 0.0005102900000000, -0.0007879000000000, 0.0001535700000000 ] - [ 0.0017651100000000, -0.0001908900000000, -0.0001102100000000 ] - [ -0.0003681300000000, 0.0000390000000000, 0.0010880800000000 ] - [ -0.0040666200000000, -0.0012785700000000, 0.0058045600000000 ] - [ 0.0001594000000000, 0.0001484600000000, -0.0020325500000000 ] - [ 0.0034274800000000, 0.0001270500000000, -0.0004195900000000 ] - [ 0.0002047700000000, -0.0006591300000000, -0.0026020600000000 ] - [ -0.0017080500000000, 0.0007785600000000, 0.0006588700000000 ] - [ 0.0007017700000000, 0.0000465300000000, -0.0014402900000000 ] - [ 0.0036154400000000, 0.0000198800000000, -0.0026145000000000 ] - [ 0.0009896100000000, 0.0005851100000000, -0.0021024700000000 ] - [ -0.0010477700000000, 0.0000318400000000, 0.0012582300000000 ] - [ 0.0008231200000000, -0.0004602600000000, 0.0005825500000000 ] - [ -0.0021258300000000, -0.0004311400000000, 0.0034145400000000 ] - [ 0.0028700100000000, -0.0013037900000000, 0.0017368100000000 ] - [ 0.0007743500000000, 0.0008475600000000, 0.0039314800000000 ] - [ -0.0013778200000000, 0.0000513400000000, 0.0007352200000000 ] - [ 0.0009146600000000, -0.0006638700000000, 0.0001986800000000 ] - [ -0.0002233900000000, -0.0006030900000000, 0.0006641600000000 ] - [ 0.0006521700000000, -0.0001019000000000, -0.0000287700000000 ] - [ -0.0008668600000000, -0.0001191600000000, 0.0007573000000000 ] - [ 0.0001180400000000, 0.0000398800000000, 0.0004856200000000 ] - [ -0.0027862600000000, -0.0036340700000000, 0.0068946200000000 ] - [ 0.0079160100000000, 0.0000998900000000, -0.0127334600000000 ] - [ -0.0024431600000000, 0.0002115700000000, -0.0015920800000000 ] - [ -0.0013303200000000, 0.0009025600000000, 0.0015693100000000 ] - [ -0.0086845900000000, 0.0007426300000000, -0.0005921600000000 ] - [ -0.0019151400000000, 0.0009175000000000, 0.0009299400000000 ] - [ -0.0017654900000000, -0.0009508100000000, 0.0008090200000000 ] - [ -0.0032657900000000, -0.0002755300000000, 0.0028299500000000 ] - [ 0.0013643700000000, -0.0003341500000000, 0.0054140500000000 ] - [ -0.0021746800000000, -0.0000647400000000, -0.0007285900000000 ] - [ 0.0170530600000000, -0.0103887400000000, -0.0180871600000000 ] - [ 0.0129089800000000, 0.0002653000000000, -0.0205980800000000 ] - [ 0.0031516900000000, 0.0020721300000000, -0.0023280300000000 ] - [ 0.0086058100000000, 0.0040802800000000, -0.0113007600000000 ] - [ -0.0000266200000000, 0.0001731700000000, -0.0003533000000000 ] - [ -0.0026316100000000, 0.0000103100000000, -0.0021946800000000 ] - [ -0.0024342300000000, 0.0001215300000000, -0.0018555000000000 ] - [ 0.0027848700000000, 0.0003739200000000, 0.0008251000000000 ] - [ -0.0017596600000000, -0.0001465200000000, 0.0023003300000000 ] - [ 0.0026901300000000, -0.0008529900000000, 0.0009519500000000 ] - [ -0.0013915700000000, -0.0000618800000000, -0.0002643600000000 ] - [ 0.0019159100000000, 0.0000346500000000, 0.0017179300000000 ] - [ -0.0021621800000000, 0.0007696700000000, 0.0014307000000000 ] - [ 0.0003490200000000, -0.0005450500000000, 0.0031034200000000 ] - [ 0.0019561800000000, 0.0039687700000000, -0.0114525000000000 ] - [ -0.0003176300000000, 0.0001303300000000, -0.0005793600000000 ] - [ 0.0003185400000000, 0.0003903100000000, -0.0006496400000000 ] - [ 0.0009722500000000, 0.0007944600000000, 0.0013328600000000 ] - [ 0.0045432700000000, 0.0006495900000000, 0.0043354900000000 ] - [ 0.0227265800000000, -0.0076918900000000, -0.0045880000000000 ] - [ -0.0002326500000000, 0.0003485500000000, 0.0001892900000000 ] - [ -0.0008399700000000, 0.0000052900000000, -0.0000080800000000 ] - [ -0.0013126300000000, 0.0010689000000000, 0.0001737400000000 ] - [ 0.0014288200000000, -0.0005420700000000, 0.0003889000000000 ] - [ -0.0008803900000000, 0.0000029600000000, -0.0006031200000000 ] - [ 0.0011279900000000, -0.0002002000000000, -0.0029007500000000 ] - [ 0.0009329300000000, -0.0003197000000000, -0.0006420000000000 ] - [ 0.0004388100000000, 0.0002948400000000, -0.0008357700000000 ] - [ 0.0003519200000000, -0.0004041400000000, 0.0007362500000000 ] - [ -0.0037934500000000, 0.0014157700000000, -0.0047200700000000 ] - [ -0.0005159100000000, -0.0000027600000000, 0.0002478000000000 ] - [ -0.0012626100000000, 0.0001246400000000, 0.0009698100000000 ] - [ -0.0007638700000000, -0.0004706700000000, 0.0006884300000000 ] - [ -0.0007764600000000, -0.0003360400000000, 0.0000259200000000 ] - [ -0.0030519600000000, -0.0021977500000000, 0.0022765800000000 ] - [ -0.0015596800000000, -0.0000325200000000, -0.0001654100000000 ] - [ -0.0030013800000000, -0.0005001700000000, 0.0004353700000000 ] - [ -0.0004412400000000, -0.0002108200000000, 0.0010054300000000 ] - [ 0.0006968400000000, -0.0002318100000000, -0.0002585700000000 ] - [ -0.0003878900000000, 0.0006341700000000, 0.0012616200000000 ] - [ -0.0119160000000000, -0.0075812700000000, -0.0010749500000000 ] - [ -0.0006571500000000, 0.0000872000000000, -0.0002571500000000 ] - [ 0.0007733000000000, -0.0000838100000000, -0.0009741700000000 ] - [ -0.0001116400000000, 0.0000177100000000, 0.0002210200000000 ] - [ -0.0010543400000000, -0.0001562000000000, -0.0003559000000000 ] - [ -0.0039077900000000, 0.0019776100000000, 0.0012210300000000 ] - [ -0.0043617800000000, -0.0008852800000000, 0.0046956600000000 ] - [ -0.0011878100000000, 0.0005846900000000, 0.0033841300000000 ] - [ -0.0002418200000000, 0.0004360200000000, 0.0007051300000000 ] - [ -0.0017722800000000, -0.0003702100000000, -0.0002529500000000 ]- atom: 3 displacement: [ 0.0099999987502926, 0.0000000000000000, -0.0000049994145799 ] forces: - [ 0.0151926200000000, -0.0009606000000000, 0.0151634300000000 ] - [ 0.0066996900000000, -0.0005817700000000, 0.0019707300000000 ] - [ -0.1549114300000000, 0.0198420000000000, -0.0017025500000000 ] - [ 0.0031993200000000, 0.0003351900000000, -0.0010558500000000 ] - [ -0.0005305600000000, -0.0002382300000000, 0.0033075200000000 ] - [ 0.0026527300000000, 0.0004844600000000, 0.0028931300000000 ] - [ -0.0203321500000000, 0.0001793400000000, 0.0078503900000000 ] - [ -0.0019754100000000, 0.0008812100000000, -0.0040813200000000 ] - [ 0.0029816900000000, 0.0005508800000000, -0.0013764100000000 ] - [ 0.0093218300000000, 0.0007371400000000, -0.0017954000000000 ] - [ 0.0028025500000000, 0.0000272300000000, -0.0006862600000000 ] - [ 0.0086443600000000, 0.0022168100000000, 0.0178386600000000 ] - [ 0.0012053800000000, -0.0005390500000000, -0.0016922300000000 ] - [ 0.0034860800000000, -0.0003396100000000, -0.0056523400000000 ] - [ 0.0030417500000000, 0.0000952400000000, 0.0004982400000000 ] - [ 0.0007837900000000, -0.0002140400000000, 0.0014347800000000 ] - [ 0.0003048300000000, -0.0004222300000000, 0.0006655700000000 ] - [ 0.0014244000000000, -0.0017196800000000, -0.0034753500000000 ] - [ 0.0000966300000000, 0.0001109800000000, -0.0009994600000000 ] - [ 0.0001829000000000, -0.0004510400000000, 0.0003845500000000 ] - [ 0.0017078300000000, -0.0005959900000000, 0.0051011500000000 ] - [ 0.0030658500000000, -0.0000506500000000, 0.0002803800000000 ] - [ -0.0039352300000000, -0.0010422700000000, 0.0029063600000000 ] - [ 0.0024633300000000, 0.0034182200000000, -0.0159864500000000 ] - [ 0.0033534600000000, -0.0002945500000000, -0.0044847400000000 ] - [ 0.0150760500000000, 0.0031114500000000, -0.0157652700000000 ] - [ 0.0021228800000000, 0.0005671300000000, 0.0033890200000000 ] - [ 0.0009779000000000, 0.0005829900000000, 0.0000466600000000 ] - [ 0.0042783800000000, -0.0000651900000000, -0.0037103200000000 ] - [ -0.0169634800000000, 0.0060952500000000, 0.0002026000000000 ] - [ 0.0022588100000000, -0.0008916200000000, -0.0019866700000000 ] - [ 0.0155705000000000, -0.0230928200000000, -0.0134738400000000 ] - [ 0.0011187600000000, 0.0002477900000000, -0.0001653900000000 ] - [ 0.0027377700000000, 0.0000347700000000, 0.0013684600000000 ] - [ 0.0005468500000000, 0.0010998400000000, 0.0035708600000000 ] - [ 0.0043077700000000, 0.0000068000000000, 0.0004092800000000 ] - [ -0.0001193500000000, -0.0008690700000000, -0.0051669300000000 ] - [ -0.0032530900000000, 0.0004108000000000, 0.0012894400000000 ] - [ 0.0037265300000000, -0.0012886800000000, 0.0012039200000000 ] - [ 0.0017219900000000, -0.0004852700000000, 0.0006699700000000 ] - [ 0.0074178800000000, 0.0013025300000000, 0.0001227800000000 ] - [ -0.0005004200000000, -0.0003929400000000, -0.0001204600000000 ] - [ -0.0005778800000000, -0.0009996400000000, 0.0014880300000000 ] - [ 0.0005909800000000, -0.0002400700000000, -0.0004660100000000 ] - [ -0.0028098400000000, 0.0002550900000000, 0.0028623800000000 ] - [ -0.0000977300000000, -0.0000335500000000, -0.0011189000000000 ] - [ -0.0010717400000000, 0.0000408500000000, -0.0001661100000000 ] - [ 0.0008847300000000, -0.0001332600000000, 0.0006911300000000 ] - [ -0.0002671000000000, -0.0004028100000000, -0.0007698900000000 ] - [ 0.0002668100000000, -0.0000741500000000, 0.0005642800000000 ] - [ -0.0009871700000000, 0.0000958000000000, -0.0012089400000000 ] - [ -0.0003140400000000, -0.0000429000000000, 0.0015583300000000 ] - [ -0.0017119300000000, -0.0009806800000000, -0.0029449800000000 ] - [ -0.0015160800000000, -0.0005437000000000, -0.0009135100000000 ] - [ 0.0192551200000000, -0.0120901600000000, 0.0070980800000000 ] - [ 0.0002972000000000, 0.0001525900000000, 0.0007277500000000 ] - [ 0.0007756000000000, 0.0016832000000000, -0.0046276900000000 ] - [ 0.0134775500000000, 0.0050777700000000, -0.0071939400000000 ] - [ 0.0033188900000000, -0.0000014500000000, 0.0015136600000000 ] - [ 0.0037130900000000, -0.0005612500000000, -0.0067970900000000 ] - [ -0.0009432300000000, -0.0003501000000000, 0.0017233500000000 ] - [ 0.0185412200000000, -0.0036217300000000, 0.0005689300000000 ] - [ -0.0023043500000000, -0.0007693300000000, 0.0006578600000000 ] - [ -0.0045178200000000, 0.0001096900000000, 0.0022924700000000 ] - [ -0.0006571800000000, 0.0002801000000000, -0.0008391400000000 ] - [ -0.0024909700000000, 0.0002998800000000, -0.0000107900000000 ] - [ 0.0037587100000000, 0.0022324600000000, -0.0030853800000000 ] - [ 0.0084944100000000, 0.0013613100000000, 0.0024990600000000 ] - [ 0.0151442000000000, -0.0008969900000000, 0.0049714900000000 ] - [ -0.0004761000000000, 0.0004503600000000, -0.0015006100000000 ] - [ -0.0001364400000000, -0.0007336800000000, 0.0000209900000000 ] - [ -0.0010675400000000, 0.0003504900000000, -0.0013734000000000 ] - [ 0.0326988600000000, -0.0006448100000000, 0.0025926900000000 ] - [ -0.0018099200000000, 0.0006567000000000, -0.0029958500000000 ] - [ 0.0028259900000000, 0.0002164900000000, -0.0001419000000000 ] - [ -0.0014523700000000, -0.0006647300000000, 0.0006072400000000 ] - [ -0.0021821700000000, 0.0002047000000000, -0.0019142600000000 ] - [ 0.0216275300000000, 0.0027744100000000, 0.0068502600000000 ] - [ 0.0025799200000000, -0.0004616400000000, -0.0037781700000000 ] - [ 0.0006917300000000, -0.0007554200000000, -0.0024299900000000 ] - [ -0.0013554600000000, -0.0007944400000000, -0.0026809700000000 ] - [ -0.0078241700000000, -0.0002203800000000, -0.0010476000000000 ] - [ -0.0012813400000000, 0.0006193700000000, 0.0014111300000000 ] - [ -0.0052963400000000, 0.0003576300000000, 0.0059810100000000 ] - [ -0.0016304400000000, 0.0007639900000000, 0.0006988200000000 ] - [ 0.0010023800000000, -0.0004871000000000, -0.0005171300000000 ] - [ -0.0019938900000000, -0.0001631600000000, -0.0002108000000000 ] - [ -0.0015074000000000, 0.0004793700000000, 0.0007928800000000 ] - [ -0.0004588800000000, -0.0005169700000000, -0.0001903000000000 ] - [ -0.0006892000000000, 0.0002682300000000, 0.0008948900000000 ] - [ -0.0011173700000000, -0.0005891200000000, -0.0028163400000000 ] - [ -0.0021210100000000, 0.0004927200000000, -0.0004997200000000 ] - [ -0.0031067300000000, -0.0009935700000000, -0.0014610400000000 ] - [ -0.0029147000000000, -0.0000733400000000, 0.0016618800000000 ] - [ 0.0014823600000000, -0.0025740700000000, 0.0038262500000000 ] - [ -0.0050103200000000, 0.0010665000000000, -0.0021044200000000 ] - [ -0.0014221600000000, -0.0005767900000000, 0.0001481100000000 ] - [ -0.0017401800000000, 0.0001053000000000, 0.0001588000000000 ] - [ -0.0018378500000000, 0.0000825500000000, -0.0003493700000000 ] - [ 0.0001771200000000, -0.0004342600000000, 0.0028265900000000 ] - [ 0.0004827600000000, -0.0000908600000000, -0.0007938300000000 ] - [ 0.0007868500000000, 0.0000269400000000, 0.0015607200000000 ] - [ -0.0022100900000000, 0.0000804200000000, -0.0002165100000000 ] - [ -0.0021754400000000, -0.0003665000000000, 0.0012984600000000 ] - [ -0.0006168100000000, 0.0001582000000000, -0.0001082000000000 ] - [ -0.0015247200000000, 0.0004304600000000, -0.0027462700000000 ] - [ -0.0014941700000000, 0.0005927600000000, 0.0044629800000000 ] - [ -0.0014723200000000, 0.0004969300000000, 0.0002057900000000 ] - [ -0.0011696500000000, 0.0001098500000000, 0.0004056000000000 ] - [ -0.0011978900000000, 0.0012388900000000, 0.0030043300000000 ] - [ -0.0005142800000000, 0.0016003600000000, 0.0028307200000000 ] - [ -0.0037516000000000, -0.0001325000000000, -0.0006285400000000 ]- atom: 3 displacement: [ -0.0099999987502926, 0.0000000000000000, 0.0000049994145799 ] forces: - [ -0.0153312900000000, 0.0018585200000000, -0.0152967600000000 ] - [ -0.0072312300000000, 0.0004342600000000, -0.0026810800000000 ] - [ 0.1536491600000000, -0.0191164400000000, 0.0006291100000000 ] - [ -0.0034395500000000, -0.0002684400000000, 0.0014843700000000 ] - [ 0.0005095200000000, -0.0002126300000000, -0.0033226200000000 ] - [ -0.0024223200000000, 0.0001145100000000, -0.0016741100000000 ] - [ 0.0209438300000000, -0.0003249900000000, -0.0071053000000000 ] - [ 0.0022110600000000, -0.0008170300000000, 0.0036736700000000 ] - [ -0.0029794900000000, 0.0003159500000000, 0.0013724400000000 ] - [ -0.0097976600000000, -0.0008815900000000, 0.0010835300000000 ] - [ -0.0030398100000000, 0.0005727100000000, -0.0005392100000000 ] - [ -0.0088430600000000, -0.0021091100000000, -0.0172634000000000 ] - [ -0.0012081200000000, 0.0000908400000000, 0.0016985200000000 ] - [ -0.0032604600000000, 0.0009353200000000, 0.0068599800000000 ] - [ -0.0025221100000000, -0.0002391800000000, 0.0002018700000000 ] - [ -0.0005548800000000, 0.0002817900000000, -0.0018685100000000 ] - [ 0.0001884300000000, 0.0000184000000000, -0.0005719300000000 ] - [ -0.0019136200000000, 0.0012384800000000, 0.0033830900000000 ] - [ 0.0004015300000000, -0.0005209300000000, 0.0010943100000000 ] - [ -0.0006771700000000, -0.0000233500000000, -0.0004779900000000 ] - [ -0.0018990200000000, -0.0005838600000000, -0.0043591800000000 ] - [ -0.0036945900000000, 0.0000979700000000, -0.0008524100000000 ] - [ 0.0046472800000000, 0.0012533800000000, -0.0018912600000000 ] - [ -0.0019416300000000, -0.0033657500000000, 0.0164945700000000 ] - [ -0.0044280600000000, 0.0014426400000000, 0.0045322700000000 ] - [ -0.0149254700000000, -0.0043443100000000, 0.0150730700000000 ] - [ -0.0014631400000000, -0.0010402400000000, -0.0034529000000000 ] - [ 0.0000933800000000, 0.0005633500000000, -0.0000810300000000 ] - [ -0.0049896100000000, 0.0002706500000000, 0.0027101700000000 ] - [ 0.0162792600000000, -0.0066093900000000, -0.0002482800000000 ] - [ -0.0024500300000000, -0.0002853300000000, 0.0027343200000000 ] - [ -0.0161383300000000, 0.0227610900000000, 0.0126996600000000 ] - [ -0.0004216500000000, -0.0000444200000000, 0.0011739600000000 ] - [ -0.0021180200000000, 0.0000136000000000, -0.0008033400000000 ] - [ -0.0016228000000000, 0.0000458000000000, -0.0035280200000000 ] - [ -0.0041110700000000, -0.0011835100000000, -0.0011633900000000 ] - [ 0.0007817300000000, 0.0003971900000000, 0.0051127600000000 ] - [ 0.0043472800000000, 0.0007427400000000, -0.0013602900000000 ] - [ -0.0044103000000000, 0.0014935700000000, -0.0022086400000000 ] - [ -0.0023866200000000, 0.0000123600000000, -0.0006116100000000 ] - [ -0.0079261300000000, -0.0010880500000000, -0.0000441400000000 ] - [ 0.0002603700000000, -0.0003917800000000, 0.0004368900000000 ] - [ 0.0008151200000000, 0.0001996000000000, -0.0017879300000000 ] - [ -0.0001884800000000, -0.0001967100000000, 0.0007808200000000 ] - [ 0.0024004800000000, -0.0006803000000000, -0.0031942300000000 ] - [ 0.0004075700000000, 0.0001887000000000, 0.0012735600000000 ] - [ 0.0007674000000000, 0.0001089300000000, 0.0000009700000000 ] - [ -0.0011336500000000, -0.0006532000000000, -0.0003749200000000 ] - [ 0.0005103900000000, -0.0004011400000000, 0.0004716800000000 ] - [ 0.0001353100000000, -0.0003615700000000, -0.0002413800000000 ] - [ 0.0005736600000000, -0.0005246000000000, 0.0008820200000000 ] - [ 0.0006208800000000, 0.0001961100000000, -0.0014013900000000 ] - [ 0.0022355200000000, 0.0015661600000000, 0.0028702200000000 ] - [ 0.0019568700000000, 0.0009447800000000, -0.0002895900000000 ] - [ -0.0198877700000000, 0.0133711000000000, -0.0064368100000000 ] - [ 0.0001959100000000, -0.0002943400000000, -0.0004061500000000 ] - [ -0.0008890400000000, -0.0017084000000000, 0.0041053200000000 ] - [ -0.0139295900000000, -0.0045609700000000, 0.0081971500000000 ] - [ -0.0029411000000000, -0.0008770500000000, -0.0015122900000000 ] - [ -0.0029267600000000, 0.0008130500000000, 0.0065349700000000 ] - [ 0.0014825600000000, -0.0001124100000000, -0.0015004600000000 ] - [ -0.0186957100000000, 0.0035733600000000, -0.0002290100000000 ] - [ 0.0024290000000000, 0.0009554300000000, -0.0006203500000000 ] - [ 0.0037337100000000, 0.0001370500000000, -0.0020135300000000 ] - [ 0.0015616600000000, -0.0002915700000000, 0.0008652300000000 ] - [ 0.0021094100000000, -0.0011767100000000, -0.0000061400000000 ] - [ -0.0036787700000000, -0.0018888800000000, 0.0032541100000000 ] - [ -0.0096318200000000, -0.0011389000000000, -0.0027377400000000 ] - [ -0.0155350700000000, 0.0007869700000000, -0.0042723200000000 ] - [ 0.0008805800000000, 0.0000025700000000, 0.0010822600000000 ] - [ -0.0004040200000000, 0.0002700300000000, -0.0002511400000000 ] - [ 0.0010413200000000, -0.0000662900000000, 0.0012176300000000 ] - [ -0.0315466300000000, 0.0001285300000000, -0.0022791500000000 ] - [ 0.0017958800000000, -0.0001912200000000, 0.0020209400000000 ] - [ -0.0029478200000000, -0.0000315700000000, 0.0000968500000000 ] - [ 0.0009585900000000, 0.0005241700000000, -0.0009343500000000 ] - [ 0.0025669300000000, 0.0000279000000000, 0.0013759000000000 ] - [ -0.0217172100000000, -0.0019544400000000, -0.0059313700000000 ] - [ -0.0032790500000000, 0.0002534900000000, 0.0039862400000000 ] - [ 0.0000299800000000, 0.0005738600000000, 0.0022656000000000 ] - [ 0.0017036400000000, 0.0006667200000000, 0.0019831600000000 ] - [ 0.0078908800000000, 0.0001746300000000, 0.0015750600000000 ] - [ 0.0017986800000000, -0.0000401600000000, -0.0014921400000000 ] - [ 0.0057307600000000, 0.0000715800000000, -0.0071566900000000 ] - [ 0.0016469000000000, -0.0002943000000000, 0.0002845100000000 ] - [ -0.0005060900000000, 0.0003426700000000, 0.0008506400000000 ] - [ 0.0018935600000000, 0.0001474800000000, -0.0003175000000000 ] - [ 0.0010702800000000, -0.0000801100000000, 0.0004135200000000 ] - [ 0.0008458900000000, -0.0003564300000000, 0.0002102900000000 ] - [ 0.0014940600000000, -0.0000216800000000, -0.0011771700000000 ] - [ 0.0016571200000000, 0.0001196500000000, 0.0030356900000000 ] - [ 0.0017431500000000, -0.0002606600000000, 0.0010438100000000 ] - [ 0.0032114900000000, 0.0011630400000000, 0.0014858300000000 ] - [ 0.0021057100000000, 0.0003189500000000, -0.0013758600000000 ] - [ -0.0005567200000000, 0.0025776700000000, -0.0038258600000000 ] - [ 0.0046273100000000, -0.0019382900000000, 0.0020861200000000 ] - [ 0.0014546600000000, 0.0008626200000000, 0.0000102100000000 ] - [ 0.0012207600000000, 0.0004733000000000, -0.0000722700000000 ] - [ 0.0014922900000000, -0.0002120100000000, 0.0010519000000000 ] - [ 0.0002299700000000, 0.0008858100000000, -0.0032509100000000 ] - [ -0.0010204600000000, -0.0003708600000000, 0.0005775600000000 ] - [ -0.0008177900000000, 0.0002570100000000, -0.0017244900000000 ] - [ 0.0013100900000000, -0.0000899300000000, 0.0001945800000000 ] - [ 0.0021538400000000, 0.0008351000000000, -0.0022752800000000 ] - [ 0.0004981200000000, 0.0000242300000000, 0.0000721800000000 ] - [ 0.0010351300000000, -0.0005633300000000, 0.0024166800000000 ] - [ 0.0018913200000000, -0.0003478400000000, -0.0049508200000000 ] - [ 0.0010716400000000, -0.0000438700000000, 0.0002143900000000 ] - [ 0.0004556000000000, -0.0002898700000000, -0.0002433400000000 ] - [ 0.0019167900000000, -0.0014206200000000, -0.0031751100000000 ] - [ 0.0008650700000000, -0.0017257700000000, -0.0035307500000000 ] - [ 0.0038444700000000, 0.0001189700000000, 0.0011576700000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0025313100000000, -0.0053967800000000, -0.0008671700000000 ] - [ -0.0002691600000000, -0.0000524100000000, -0.0005934900000000 ] - [ 0.0194347700000000, -0.1352806400000000, 0.0093846000000000 ] - [ -0.0003524600000000, 0.0000070900000000, 0.0000586200000000 ] - [ -0.0001879600000000, -0.0001524700000000, -0.0007692400000000 ] - [ -0.0000693500000000, 0.0003226100000000, 0.0004829000000000 ] - [ 0.0028962000000000, 0.0137139400000000, 0.0017595100000000 ] - [ -0.0001542400000000, 0.0003040100000000, -0.0009002200000000 ] - [ -0.0002955600000000, 0.0004155600000000, 0.0004518300000000 ] - [ -0.0018453500000000, -0.0016119100000000, 0.0011199900000000 ] - [ -0.0003922200000000, 0.0003242600000000, -0.0006367800000000 ] - [ 0.0009316000000000, -0.0048432200000000, -0.0021843700000000 ] - [ -0.0001961300000000, -0.0002409200000000, -0.0002168800000000 ] - [ 0.0007498900000000, 0.0016514200000000, 0.0021128500000000 ] - [ 0.0001374500000000, -0.0000701800000000, 0.0003901600000000 ] - [ 0.0001116000000000, 0.0000388900000000, -0.0004922400000000 ] - [ 0.0001855500000000, -0.0001981800000000, -0.0000443000000000 ] - [ -0.0004916200000000, 0.0001547400000000, 0.0002188900000000 ] - [ 0.0003312000000000, -0.0002454500000000, 0.0001241700000000 ] - [ -0.0003264900000000, -0.0002143500000000, -0.0001272200000000 ] - [ -0.0005520700000000, -0.0005557100000000, 0.0005004500000000 ] - [ -0.0005091300000000, 0.0000128600000000, -0.0003674600000000 ] - [ -0.0002876600000000, -0.0006513500000000, 0.0001461000000000 ] - [ 0.0087309800000000, -0.0062783200000000, -0.0042479200000000 ] - [ -0.0005769300000000, 0.0004958600000000, -0.0001007200000000 ] - [ 0.0051336000000000, 0.0309334400000000, 0.0049486100000000 ] - [ 0.0000299800000000, -0.0003213400000000, -0.0004523200000000 ] - [ 0.0003085000000000, 0.0006693000000000, -0.0002802500000000 ] - [ -0.0006632000000000, 0.0000703100000000, -0.0010018300000000 ] - [ -0.0085980300000000, 0.0251624300000000, -0.0001334200000000 ] - [ 0.0002363500000000, -0.0008111000000000, 0.0008149400000000 ] - [ -0.0219772100000000, 0.0251548100000000, 0.0027285200000000 ] - [ 0.0004084700000000, 0.0000948500000000, 0.0005318900000000 ] - [ 0.0001549800000000, 0.0000238700000000, 0.0001904000000000 ] - [ -0.0007729100000000, 0.0005366900000000, -0.0004154100000000 ] - [ -0.0004596500000000, -0.0006528600000000, -0.0004008600000000 ] - [ 0.0006575900000000, -0.0001712300000000, -0.0002258000000000 ] - [ 0.0013315700000000, 0.0006993000000000, -0.0006722400000000 ] - [ -0.0007976800000000, 0.0008682100000000, -0.0005645400000000 ] - [ -0.0006417000000000, -0.0001989700000000, -0.0002058100000000 ] - [ 0.0002149500000000, 0.0009511500000000, -0.0006828900000000 ] - [ -0.0000262800000000, -0.0004081500000000, 0.0002166800000000 ] - [ 0.0002782400000000, -0.0002399500000000, -0.0004267600000000 ] - [ 0.0002949300000000, -0.0001809500000000, 0.0002799600000000 ] - [ -0.0002196200000000, -0.0000977700000000, -0.0001390900000000 ] - [ 0.0002387300000000, 0.0000764300000000, 0.0001405300000000 ] - [ -0.0000165900000000, 0.0000874700000000, -0.0000577600000000 ] - [ -0.0002152100000000, -0.0002485400000000, 0.0000408900000000 ] - [ 0.0002295400000000, -0.0003879600000000, -0.0000594700000000 ] - [ 0.0000806100000000, -0.0002519400000000, 0.0002224700000000 ] - [ -0.0000447900000000, -0.0002870300000000, 0.0000060100000000 ] - [ 0.0000335300000000, 0.0000740100000000, -0.0000343100000000 ] - [ 0.0004468000000000, 0.0007357900000000, 0.0001003300000000 ] - [ 0.0002949100000000, 0.0002457700000000, -0.0005684000000000 ] - [ -0.0129148800000000, 0.0140616000000000, -0.0127597300000000 ] - [ 0.0004247000000000, -0.0001043100000000, 0.0003644700000000 ] - [ 0.0004305200000000, -0.0005461600000000, 0.0003933200000000 ] - [ -0.0006401000000000, 0.0121167400000000, -0.0060464600000000 ] - [ 0.0010496000000000, -0.0005502900000000, 0.0012749000000000 ] - [ 0.0006651000000000, 0.0005292100000000, -0.0006566900000000 ] - [ 0.0003512300000000, -0.0002267000000000, 0.0001931800000000 ] - [ -0.0031492100000000, 0.0091711700000000, 0.0073397900000000 ] - [ 0.0001339900000000, 0.0001171300000000, 0.0001476400000000 ] - [ -0.0008207300000000, 0.0003200600000000, 0.0004417800000000 ] - [ 0.0005285100000000, -0.0000426400000000, 0.0001017900000000 ] - [ -0.0001153700000000, -0.0004298500000000, 0.0001233900000000 ] - [ 0.0010142500000000, -0.0012794200000000, 0.0023066400000000 ] - [ -0.0010599600000000, 0.0023195000000000, 0.0052545300000000 ] - [ -0.0008796500000000, 0.0166236400000000, -0.0103130000000000 ] - [ 0.0002793800000000, 0.0002135100000000, -0.0000757200000000 ] - [ -0.0000955200000000, -0.0002522600000000, 0.0000415700000000 ] - [ 0.0001753600000000, 0.0001461400000000, 0.0001521200000000 ] - [ 0.0003563300000000, 0.0050282700000000, 0.0004539400000000 ] - [ -0.0001043200000000, 0.0003638200000000, -0.0006524600000000 ] - [ -0.0002727100000000, -0.0000588100000000, -0.0000199600000000 ] - [ -0.0001383500000000, -0.0000410600000000, -0.0000704500000000 ] - [ 0.0003559100000000, 0.0000798900000000, -0.0001255800000000 ] - [ 0.0097181700000000, 0.0049084700000000, 0.0059374500000000 ] - [ 0.0007867900000000, -0.0015902200000000, 0.0000594100000000 ] - [ 0.0003955600000000, -0.0000767600000000, 0.0002272000000000 ] - [ 0.0004333900000000, 0.0000039500000000, -0.0000962000000000 ] - [ 0.0012048000000000, -0.0029188000000000, -0.0016074600000000 ] - [ 0.0000757400000000, 0.0002876900000000, -0.0003100300000000 ] - [ 0.0038741900000000, -0.0000020700000000, -0.0032567400000000 ] - [ 0.0001653300000000, 0.0001674900000000, 0.0004176900000000 ] - [ 0.0000586200000000, 0.0000528700000000, 0.0003759000000000 ] - [ -0.0000725300000000, 0.0001251800000000, -0.0004269100000000 ] - [ -0.0001350100000000, 0.0001857300000000, 0.0005939500000000 ] - [ 0.0001930300000000, -0.0004519800000000, 0.0000283100000000 ] - [ 0.0004384300000000, 0.0001003900000000, -0.0002323200000000 ] - [ 0.0005192200000000, -0.0001598700000000, 0.0004174800000000 ] - [ -0.0000600200000000, 0.0000868400000000, 0.0003275200000000 ] - [ 0.0001037500000000, 0.0000953800000000, 0.0004257300000000 ] - [ -0.0000160900000000, 0.0000674400000000, -0.0002728300000000 ] - [ -0.0007448800000000, -0.0013855400000000, 0.0015885600000000 ] - [ 0.0012636900000000, -0.0008290100000000, 0.0008228500000000 ] - [ 0.0002089800000000, 0.0002051600000000, 0.0001871500000000 ] - [ -0.0001054300000000, 0.0003267900000000, -0.0000156900000000 ] - [ 0.0000179500000000, -0.0001106300000000, 0.0004979300000000 ] - [ -0.0002215700000000, 0.0004514400000000, 0.0001123400000000 ] - [ -0.0004088700000000, -0.0003092300000000, -0.0000752500000000 ] - [ -0.0000409400000000, 0.0001768200000000, 0.0000952800000000 ] - [ -0.0003190200000000, 0.0000155700000000, 0.0000488300000000 ] - [ 0.0001802300000000, 0.0003277800000000, -0.0010416500000000 ] - [ -0.0000688500000000, 0.0001112500000000, -0.0000006900000000 ] - [ 0.0000032900000000, -0.0000642500000000, -0.0001165600000000 ] - [ -0.0033942700000000, -0.0007676800000000, -0.0021479400000000 ] - [ -0.0000753500000000, 0.0002171400000000, 0.0002807900000000 ] - [ -0.0002864400000000, -0.0001349200000000, 0.0002253900000000 ] - [ 0.0003236900000000, -0.0000895700000000, 0.0000919800000000 ] - [ -0.0004948000000000, -0.0003350700000000, -0.0004445800000000 ] - [ 0.0004931300000000, -0.0000223700000000, 0.0003119800000000 ]- atom: 3 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0025529600000000, 0.0062395400000000, 0.0008547500000000 ] - [ -0.0002700400000000, -0.0000874800000000, -0.0001102900000000 ] - [ -0.0195253800000000, 0.1372287700000000, -0.0104530000000000 ] - [ 0.0001167500000000, 0.0000607500000000, 0.0003713300000000 ] - [ 0.0002015500000000, -0.0003024900000000, 0.0007852500000000 ] - [ 0.0003006600000000, 0.0002754000000000, 0.0007403000000000 ] - [ -0.0023656600000000, -0.0138900300000000, -0.0011925800000000 ] - [ 0.0003946300000000, -0.0002407700000000, 0.0004873700000000 ] - [ 0.0002899500000000, 0.0004544500000000, -0.0004495100000000 ] - [ 0.0013005500000000, 0.0014668300000000, -0.0018196400000000 ] - [ 0.0001533300000000, 0.0002744200000000, -0.0005869400000000 ] - [ -0.0011670400000000, 0.0049058300000000, 0.0025428200000000 ] - [ 0.0001963400000000, -0.0002103200000000, 0.0002212200000000 ] - [ -0.0005268200000000, -0.0010603100000000, -0.0008870400000000 ] - [ 0.0003787300000000, -0.0000740800000000, 0.0003160400000000 ] - [ 0.0001219800000000, 0.0000298900000000, 0.0000705000000000 ] - [ 0.0003036900000000, -0.0002004100000000, 0.0001329600000000 ] - [ 0.0000147500000000, -0.0006465600000000, -0.0003383000000000 ] - [ 0.0001596800000000, -0.0001599000000000, -0.0000266200000000 ] - [ -0.0001650600000000, -0.0002606100000000, 0.0000291800000000 ] - [ 0.0003637400000000, -0.0006204600000000, 0.0002463900000000 ] - [ -0.0001193900000000, 0.0000356900000000, -0.0002004800000000 ] - [ 0.0009881000000000, 0.0008618700000000, 0.0008744500000000 ] - [ -0.0081735300000000, 0.0063885500000000, 0.0048837500000000 ] - [ -0.0004990000000000, 0.0006552500000000, 0.0001461500000000 ] - [ -0.0053444400000000, -0.0321215800000000, -0.0057702700000000 ] - [ 0.0006376700000000, -0.0001518300000000, 0.0003947900000000 ] - [ 0.0007662300000000, 0.0004774500000000, 0.0002435900000000 ] - [ -0.0000341500000000, 0.0001341800000000, -0.0000010000000000 ] - [ 0.0080510900000000, -0.0259200600000000, 0.0006092800000000 ] - [ -0.0004368700000000, -0.0003645100000000, -0.0000570600000000 ] - [ 0.0217259600000000, -0.0250785200000000, -0.0033405800000000 ] - [ 0.0002837300000000, 0.0001088700000000, 0.0004880900000000 ] - [ 0.0004650100000000, 0.0000229400000000, 0.0003800700000000 ] - [ -0.0002932300000000, 0.0006138200000000, 0.0004484800000000 ] - [ 0.0006475800000000, -0.0005261500000000, -0.0003569400000000 ] - [ 0.0000078600000000, -0.0002994500000000, 0.0001738000000000 ] - [ -0.0002782800000000, 0.0004455000000000, 0.0006503500000000 ] - [ 0.0001076600000000, -0.0006505000000000, -0.0004523700000000 ] - [ -0.0000232600000000, -0.0002721400000000, 0.0002625000000000 ] - [ -0.0005735100000000, -0.0007467600000000, 0.0005997700000000 ] - [ -0.0002262900000000, -0.0003783900000000, 0.0000930400000000 ] - [ -0.0000286900000000, -0.0005591000000000, 0.0001294600000000 ] - [ 0.0001011800000000, -0.0002574100000000, 0.0000322500000000 ] - [ -0.0001815500000000, -0.0003292200000000, -0.0001895800000000 ] - [ 0.0000695100000000, 0.0000760400000000, 0.0000067200000000 ] - [ -0.0002906600000000, 0.0000629900000000, -0.0000935400000000 ] - [ -0.0000355900000000, -0.0005409600000000, 0.0002697300000000 ] - [ 0.0000222300000000, -0.0004088900000000, -0.0002392700000000 ] - [ 0.0003242900000000, -0.0001833200000000, 0.0000895200000000 ] - [ -0.0003584800000000, -0.0001477900000000, -0.0003180300000000 ] - [ 0.0002788900000000, 0.0000782200000000, 0.0001823400000000 ] - [ 0.0000749700000000, -0.0001523900000000, -0.0001811500000000 ] - [ 0.0001453500000000, 0.0001554000000000, -0.0006375700000000 ] - [ 0.0121348800000000, -0.0128739300000000, 0.0133103800000000 ] - [ 0.0000656100000000, -0.0000360900000000, -0.0000436900000000 ] - [ -0.0005357900000000, 0.0005253700000000, -0.0009220100000000 ] - [ 0.0004140600000000, -0.0114538300000000, 0.0066893000000000 ] - [ -0.0006755100000000, -0.0003246300000000, -0.0012676100000000 ] - [ 0.0001284100000000, -0.0002827100000000, 0.0003708800000000 ] - [ 0.0001886800000000, -0.0002376000000000, 0.0000324600000000 ] - [ 0.0030305700000000, -0.0094594100000000, -0.0073333000000000 ] - [ -0.0000123800000000, 0.0000671900000000, -0.0001123700000000 ] - [ 0.0000214800000000, -0.0000754500000000, -0.0001607500000000 ] - [ 0.0003758000000000, 0.0000326000000000, -0.0000794100000000 ] - [ -0.0002675300000000, -0.0004449000000000, -0.0001433200000000 ] - [ -0.0010359200000000, 0.0015721900000000, -0.0021930600000000 ] - [ 0.0002662300000000, -0.0019958100000000, -0.0052997700000000 ] - [ 0.0004709600000000, -0.0182206500000000, 0.0118324800000000 ] - [ 0.0001243800000000, 0.0002408500000000, -0.0003474000000000 ] - [ -0.0004465000000000, -0.0002120200000000, -0.0002712300000000 ] - [ -0.0002052200000000, 0.0001378900000000, -0.0003134300000000 ] - [ -0.0010595100000000, -0.0052372400000000, -0.0004767200000000 ] - [ 0.0000913700000000, 0.0001045600000000, -0.0003234300000000 ] - [ 0.0001496900000000, 0.0002377200000000, -0.0000131400000000 ] - [ -0.0003534200000000, -0.0000988300000000, -0.0002553400000000 ] - [ 0.0000271100000000, 0.0001523000000000, -0.0004146500000000 ] - [ -0.0097904600000000, -0.0041133800000000, -0.0050257300000000 ] - [ -0.0015195100000000, 0.0014230900000000, 0.0000925100000000 ] - [ 0.0003194300000000, -0.0001022000000000, -0.0003922800000000 ] - [ -0.0000864400000000, -0.0001335500000000, -0.0006097100000000 ] - [ -0.0010825500000000, 0.0029045400000000, 0.0021851200000000 ] - [ 0.0004478300000000, 0.0002891000000000, 0.0002212900000000 ] - [ -0.0034378700000000, 0.0003834500000000, 0.0020437700000000 ] - [ -0.0001450700000000, 0.0003027000000000, 0.0005663800000000 ] - [ 0.0004367200000000, -0.0001951400000000, -0.0000573800000000 ] - [ -0.0000249000000000, -0.0001394900000000, -0.0001050600000000 ] - [ -0.0002998500000000, 0.0002132000000000, 0.0006096300000000 ] - [ 0.0001942200000000, -0.0004233800000000, -0.0000120500000000 ] - [ 0.0003703200000000, 0.0001466600000000, -0.0000587600000000 ] - [ 0.0000190500000000, -0.0003026900000000, -0.0001829100000000 ] - [ -0.0003167800000000, 0.0001454300000000, 0.0002147000000000 ] - [ 0.0000056400000000, 0.0000926900000000, -0.0003846300000000 ] - [ -0.0007872600000000, 0.0001794100000000, 0.0005587500000000 ] - [ 0.0016721500000000, 0.0013862800000000, -0.0016046600000000 ] - [ -0.0016206200000000, -0.0000697700000000, -0.0008257200000000 ] - [ -0.0001809900000000, 0.0000794900000000, -0.0000289700000000 ] - [ -0.0004117900000000, 0.0002510000000000, 0.0001027500000000 ] - [ -0.0003625800000000, -0.0000187800000000, 0.0002089200000000 ] - [ 0.0006254100000000, 0.0000057700000000, -0.0005388200000000 ] - [ -0.0001289700000000, -0.0001559600000000, -0.0001567600000000 ] - [ 0.0000119200000000, 0.0001071500000000, -0.0002571800000000 ] - [ -0.0005818500000000, -0.0000266700000000, -0.0000728000000000 ] - [ -0.0001964400000000, 0.0001440200000000, 0.0000576000000000 ] - [ -0.0000482800000000, 0.0000726800000000, -0.0000404500000000 ] - [ -0.0005027600000000, -0.0000816600000000, -0.0002067600000000 ] - [ 0.0037959300000000, 0.0010008800000000, 0.0016040900000000 ] - [ -0.0003272700000000, 0.0002370600000000, 0.0001411900000000 ] - [ -0.0004322000000000, -0.0000469900000000, -0.0000610700000000 ] - [ 0.0003984600000000, -0.0000941900000000, -0.0002631900000000 ] - [ 0.0008442700000000, 0.0002028800000000, -0.0002636000000000 ] - [ -0.0003840500000000, 0.0000085200000000, 0.0002224000000000 ]- atom: 3 displacement: [ -0.0057565208649526, 0.0000000000000000, 0.0081769473235044 ] forces: - [ -0.0002356700000000, 0.0000309800000000, -0.0101866900000000 ] - [ -0.0031893600000000, 0.0000815100000000, -0.0030361500000000 ] - [ 0.0870973900000000, -0.0026643500000000, -0.1019934900000000 ] - [ -0.0031630800000000, -0.0001437600000000, 0.0013179400000000 ] - [ 0.0041313100000000, -0.0004594900000000, 0.0018041600000000 ] - [ 0.0005277200000000, 0.0002980500000000, -0.0003114900000000 ] - [ 0.0208874100000000, -0.0001499500000000, 0.0043971700000000 ] - [ 0.0001765800000000, -0.0008139600000000, 0.0071349700000000 ] - [ -0.0026015000000000, 0.0005792700000000, 0.0007851400000000 ] - [ -0.0084522400000000, -0.0001385600000000, -0.0032060400000000 ] - [ -0.0018577000000000, 0.0004360400000000, -0.0002406500000000 ] - [ 0.0091164300000000, -0.0019065800000000, -0.0093325900000000 ] - [ -0.0020876000000000, -0.0000380200000000, 0.0027435600000000 ] - [ -0.0069258400000000, -0.0005557200000000, 0.0056671200000000 ] - [ -0.0016432300000000, -0.0003720400000000, 0.0012770100000000 ] - [ 0.0013176200000000, 0.0000828900000000, 0.0011165300000000 ] - [ 0.0005190300000000, 0.0000150200000000, 0.0000912800000000 ] - [ -0.0029013700000000, 0.0016749900000000, 0.0038679700000000 ] - [ -0.0000509000000000, -0.0002489800000000, 0.0014942900000000 ] - [ -0.0002684500000000, -0.0000398300000000, -0.0001205700000000 ] - [ 0.0032510900000000, -0.0010594500000000, -0.0010600900000000 ] - [ -0.0022354400000000, 0.0001053600000000, -0.0007248000000000 ] - [ 0.0043701700000000, 0.0014758200000000, 0.0032846400000000 ] - [ -0.0181028900000000, -0.0035542400000000, 0.0230976400000000 ] - [ -0.0065152600000000, 0.0012883000000000, 0.0047295600000000 ] - [ -0.0143173400000000, -0.0017741000000000, -0.0120708600000000 ] - [ 0.0016055900000000, -0.0004884000000000, -0.0000268700000000 ] - [ 0.0003823100000000, 0.0003762700000000, 0.0019828100000000 ] - [ -0.0047669100000000, 0.0002135400000000, -0.0009301000000000 ] - [ 0.0116699200000000, 0.0012324200000000, 0.0167618400000000 ] - [ -0.0041884600000000, 0.0002092200000000, 0.0028341600000000 ] - [ -0.0207091000000000, 0.0117129900000000, -0.0122642400000000 ] - [ -0.0003312500000000, 0.0002415100000000, 0.0030458300000000 ] - [ -0.0003287500000000, -0.0000376400000000, 0.0002741900000000 ] - [ 0.0015631500000000, 0.0009925900000000, -0.0013897400000000 ] - [ -0.0024742600000000, -0.0010692900000000, -0.0010244300000000 ] - [ -0.0016742300000000, 0.0002767600000000, 0.0060320400000000 ] - [ 0.0006605900000000, -0.0003791900000000, 0.0049052400000000 ] - [ -0.0016752000000000, 0.0014866000000000, -0.0028360900000000 ] - [ -0.0012928100000000, -0.0002752300000000, 0.0004407900000000 ] - [ -0.0048231500000000, -0.0025785400000000, 0.0058882300000000 ] - [ -0.0002248000000000, -0.0004378900000000, -0.0000247800000000 ] - [ 0.0018326500000000, 0.0004474100000000, -0.0021145000000000 ] - [ -0.0004302800000000, -0.0004205100000000, -0.0004684300000000 ] - [ 0.0028348100000000, -0.0014214700000000, -0.0020743500000000 ] - [ -0.0004617300000000, 0.0001940800000000, 0.0004570600000000 ] - [ 0.0002541400000000, 0.0000913200000000, -0.0000920200000000 ] - [ 0.0004866500000000, -0.0008789900000000, -0.0017310700000000 ] - [ -0.0002631100000000, -0.0006153500000000, 0.0000110100000000 ] - [ 0.0010331400000000, -0.0002086500000000, -0.0018110000000000 ] - [ -0.0003023900000000, -0.0002644000000000, 0.0008688400000000 ] - [ 0.0014781600000000, 0.0001923600000000, -0.0018947600000000 ] - [ -0.0001323600000000, 0.0010284100000000, 0.0017715500000000 ] - [ 0.0008494800000000, 0.0005727100000000, -0.0001760800000000 ] - [ -0.0064215700000000, 0.0013340300000000, 0.0098344400000000 ] - [ 0.0000862400000000, -0.0004791800000000, -0.0013144300000000 ] - [ -0.0048199200000000, -0.0008353000000000, 0.0010197800000000 ] - [ -0.0122408800000000, -0.0143856000000000, 0.0231554600000000 ] - [ -0.0025498400000000, -0.0010211200000000, -0.0040229600000000 ] - [ -0.0043313000000000, 0.0008623100000000, 0.0013062600000000 ] - [ 0.0021481200000000, -0.0003850800000000, -0.0012400500000000 ] - [ -0.0079474600000000, 0.0059111300000000, 0.0181621900000000 ] - [ 0.0018370500000000, 0.0008928400000000, 0.0003221200000000 ] - [ 0.0011023400000000, 0.0001383300000000, 0.0011680500000000 ] - [ 0.0004629400000000, 0.0000260200000000, -0.0001274100000000 ] - [ 0.0015460100000000, -0.0011877300000000, 0.0007468100000000 ] - [ -0.0078659300000000, -0.0027286600000000, -0.0011552800000000 ] - [ -0.0076953200000000, -0.0023048900000000, 0.0099127500000000 ] - [ -0.0055934700000000, -0.0096143000000000, 0.0097832100000000 ] - [ -0.0002579500000000, 0.0000478400000000, -0.0001293000000000 ] - [ -0.0004437600000000, -0.0001533300000000, -0.0020096600000000 ] - [ -0.0011014100000000, 0.0004221800000000, -0.0005581600000000 ] - [ -0.0183599300000000, 0.0057170700000000, 0.0101389900000000 ] - [ -0.0004980300000000, -0.0003309900000000, 0.0013442600000000 ] - [ -0.0017146000000000, -0.0000593000000000, -0.0025055600000000 ] - [ 0.0016904900000000, 0.0008272200000000, -0.0008137000000000 ] - [ 0.0009148400000000, -0.0000442100000000, 0.0004754400000000 ] - [ -0.0063026500000000, 0.0077625500000000, 0.0101048900000000 ] - [ -0.0028177200000000, 0.0017168200000000, -0.0028067700000000 ] - [ -0.0010989800000000, 0.0004049400000000, 0.0003815600000000 ] - [ -0.0003905900000000, -0.0000100800000000, -0.0003058000000000 ] - [ 0.0034836800000000, 0.0016056500000000, 0.0043001400000000 ] - [ 0.0025050500000000, -0.0002514500000000, -0.0011799000000000 ] - [ 0.0056252300000000, 0.0002496100000000, -0.0016784800000000 ] - [ 0.0011488600000000, -0.0000385700000000, 0.0002952700000000 ] - [ -0.0010037000000000, 0.0004389600000000, -0.0011787400000000 ] - [ 0.0022382300000000, -0.0001518700000000, -0.0002268800000000 ] - [ 0.0004378300000000, 0.0000911100000000, 0.0002387700000000 ] - [ 0.0003111800000000, -0.0004807400000000, -0.0005909000000000 ] - [ 0.0015672300000000, 0.0001341900000000, -0.0018549500000000 ] - [ -0.0008163100000000, -0.0000084500000000, 0.0015052900000000 ] - [ 0.0008193700000000, -0.0001119700000000, 0.0005268200000000 ] - [ 0.0001905900000000, -0.0005202900000000, 0.0033051600000000 ] - [ 0.0009102800000000, 0.0004665500000000, 0.0003871100000000 ] - [ 0.0023207400000000, 0.0046257000000000, -0.0058267200000000 ] - [ 0.0025264000000000, -0.0006157600000000, 0.0032033900000000 ] - [ 0.0009692400000000, 0.0006996300000000, -0.0003117900000000 ] - [ 0.0007193100000000, 0.0003996000000000, -0.0001593100000000 ] - [ 0.0007580700000000, 0.0000118900000000, 0.0004360500000000 ] - [ 0.0020550900000000, 0.0010737400000000, -0.0041825900000000 ] - [ -0.0012389300000000, -0.0007058600000000, -0.0018780900000000 ] - [ 0.0004246700000000, -0.0004558000000000, -0.0023259300000000 ] - [ 0.0006968200000000, -0.0000673100000000, 0.0001170100000000 ] - [ 0.0025677100000000, 0.0012354900000000, -0.0018811700000000 ] - [ 0.0002208700000000, 0.0001003400000000, -0.0008238900000000 ] - [ -0.0019704000000000, -0.0012504300000000, -0.0000637900000000 ] - [ 0.0075814900000000, 0.0014385100000000, -0.0003128000000000 ] - [ 0.0006276400000000, -0.0000679900000000, -0.0000891000000000 ] - [ 0.0007846600000000, 0.0001314800000000, -0.0012802800000000 ] - [ 0.0029211700000000, -0.0014091400000000, -0.0039963400000000 ] - [ 0.0028371100000000, -0.0014430200000000, -0.0033535600000000 ] - [ 0.0030254400000000, 0.0000108300000000, 0.0010723400000000 ]- atom: 3 displacement: [ 0.0057565208649526, 0.0000000000000000, -0.0081769473235044 ] forces: - [ 0.0003033100000000, 0.0008455500000000, 0.0102310000000000 ] - [ 0.0026945800000000, -0.0002316900000000, 0.0023280400000000 ] - [ -0.0885139400000000, 0.0035501900000000, 0.1023294400000000 ] - [ 0.0029283900000000, 0.0002110500000000, -0.0009011200000000 ] - [ -0.0041363700000000, 0.0000096600000000, -0.0018205900000000 ] - [ -0.0002852300000000, 0.0003006700000000, 0.0015388700000000 ] - [ -0.0204890100000000, 0.0000081600000000, -0.0036574700000000 ] - [ 0.0000494500000000, 0.0008828900000000, -0.0075807100000000 ] - [ 0.0026081800000000, 0.0002889100000000, -0.0007795200000000 ] - [ 0.0079572500000000, -0.0000115000000000, 0.0025272900000000 ] - [ 0.0016259200000000, 0.0001627700000000, -0.0009852000000000 ] - [ -0.0094167000000000, 0.0019838000000000, 0.0097374400000000 ] - [ 0.0020828000000000, -0.0004139500000000, -0.0027511700000000 ] - [ 0.0071836200000000, 0.0011626600000000, -0.0044506300000000 ] - [ 0.0021731400000000, 0.0002286100000000, -0.0005707600000000 ] - [ -0.0010771600000000, -0.0000159200000000, -0.0015460300000000 ] - [ -0.0000296800000000, -0.0004209700000000, 0.0000119400000000 ] - [ 0.0024102300000000, -0.0021567700000000, -0.0039754600000000 ] - [ 0.0005445400000000, -0.0001579600000000, -0.0013924200000000 ] - [ -0.0002247700000000, -0.0004352800000000, 0.0000199000000000 ] - [ -0.0034460400000000, -0.0001184900000000, 0.0018311100000000 ] - [ 0.0016177900000000, -0.0000578200000000, 0.0001507000000000 ] - [ -0.0037015100000000, -0.0012769900000000, -0.0022776000000000 ] - [ 0.0189009100000000, 0.0036730700000000, -0.0228053500000000 ] - [ 0.0054488100000000, -0.0001451200000000, -0.0047014400000000 ] - [ 0.0145990900000000, 0.0006129300000000, 0.0111268100000000 ] - [ -0.0009408200000000, 0.0000183400000000, -0.0000281000000000 ] - [ 0.0006810000000000, 0.0007718000000000, -0.0020248400000000 ] - [ 0.0040665900000000, -0.0000087700000000, -0.0001088400000000 ] - [ -0.0122623300000000, -0.0017229300000000, -0.0167802500000000 ] - [ 0.0040129400000000, -0.0013903000000000, -0.0020794400000000 ] - [ 0.0201759200000000, -0.0117893000000000, 0.0118453300000000 ] - [ 0.0010352300000000, -0.0000368600000000, -0.0020324200000000 ] - [ 0.0009604300000000, 0.0000874400000000, 0.0002957700000000 ] - [ -0.0026440500000000, 0.0001521900000000, 0.0014273800000000 ] - [ 0.0026726500000000, -0.0001072400000000, 0.0002725800000000 ] - [ 0.0023440000000000, -0.0007474300000000, -0.0061111000000000 ] - [ 0.0004396900000000, 0.0015300000000000, -0.0049613700000000 ] - [ 0.0009790200000000, -0.0012845600000000, 0.0018318300000000 ] - [ 0.0006267900000000, -0.0001970000000000, -0.0003877500000000 ] - [ 0.0040369600000000, 0.0028391200000000, -0.0054537000000000 ] - [ -0.0000157700000000, -0.0003460000000000, 0.0003407900000000 ] - [ -0.0015890000000000, -0.0012448000000000, 0.0018169000000000 ] - [ 0.0008363600000000, -0.0000158300000000, 0.0007808200000000 ] - [ -0.0032462100000000, 0.0009888000000000, 0.0017676200000000 ] - [ 0.0007740600000000, -0.0000403000000000, -0.0003116900000000 ] - [ -0.0005586500000000, 0.0000580900000000, -0.0000703800000000 ] - [ -0.0007435400000000, 0.0000926100000000, 0.0020464100000000 ] - [ 0.0005102000000000, -0.0001870000000000, -0.0003071600000000 ] - [ -0.0006345600000000, -0.0002278700000000, 0.0021311400000000 ] - [ -0.0001084100000000, -0.0001646200000000, -0.0011940400000000 ] - [ -0.0011727900000000, -0.0000400100000000, 0.0020487900000000 ] - [ 0.0006439000000000, -0.0004567800000000, -0.0018684500000000 ] - [ -0.0004176700000000, -0.0001751800000000, -0.0010263400000000 ] - [ 0.0064204900000000, -0.0009105100000000, -0.0088367100000000 ] - [ 0.0004116300000000, 0.0003373700000000, 0.0016435700000000 ] - [ 0.0047272800000000, 0.0008270800000000, -0.0015750400000000 ] - [ 0.0123538800000000, 0.0157579100000000, -0.0234150800000000 ] - [ 0.0029492000000000, 0.0001442700000000, 0.0040530200000000 ] - [ 0.0051661800000000, -0.0006182200000000, -0.0016115500000000 ] - [ -0.0016080300000000, -0.0000804700000000, 0.0014742600000000 ] - [ 0.0079923600000000, -0.0064350500000000, -0.0183887500000000 ] - [ -0.0017197600000000, -0.0007075900000000, -0.0002743800000000 ] - [ -0.0019176400000000, 0.0001108900000000, -0.0008595000000000 ] - [ 0.0004358300000000, -0.0000374300000000, 0.0001503700000000 ] - [ -0.0019338500000000, 0.0003108200000000, -0.0007560100000000 ] - [ 0.0079131900000000, 0.0030450100000000, 0.0013407800000000 ] - [ 0.0071313700000000, 0.0028579900000000, -0.0098548000000000 ] - [ 0.0052340400000000, 0.0090395200000000, -0.0088717000000000 ] - [ 0.0006597100000000, 0.0004059900000000, -0.0002935000000000 ] - [ -0.0000916400000000, -0.0003124200000000, 0.0017860900000000 ] - [ 0.0010725200000000, -0.0001369100000000, 0.0004010300000000 ] - [ 0.0178016600000000, -0.0058703900000000, -0.0100171800000000 ] - [ 0.0004739500000000, 0.0008046000000000, -0.0023372700000000 ] - [ 0.0016105600000000, 0.0002480200000000, 0.0024728700000000 ] - [ -0.0021829200000000, -0.0009685900000000, 0.0004938000000000 ] - [ -0.0005425200000000, 0.0002775900000000, -0.0010204200000000 ] - [ 0.0060209600000000, -0.0072150300000000, -0.0096056200000000 ] - [ 0.0020961200000000, -0.0019142600000000, 0.0030072400000000 ] - [ 0.0018186200000000, -0.0005874700000000, -0.0005466700000000 ] - [ 0.0007331900000000, -0.0001202300000000, -0.0004034300000000 ] - [ -0.0034519100000000, -0.0016333600000000, -0.0037663900000000 ] - [ -0.0019951000000000, 0.0008304800000000, 0.0010927800000000 ] - [ -0.0051881800000000, 0.0001683800000000, 0.0004599700000000 ] - [ -0.0011351000000000, 0.0005100000000000, 0.0006882300000000 ] - [ 0.0014906100000000, -0.0005779700000000, 0.0015073900000000 ] - [ -0.0023492800000000, 0.0001400300000000, -0.0003090100000000 ] - [ -0.0008790200000000, 0.0003094900000000, 0.0009678900000000 ] - [ 0.0000698900000000, -0.0003963100000000, 0.0006072700000000 ] - [ -0.0007655100000000, 0.0001129200000000, 0.0015695600000000 ] - [ 0.0013637500000000, -0.0004549400000000, -0.0012753600000000 ] - [ -0.0012020800000000, 0.0003449600000000, 0.0000148200000000 ] - [ -0.0000650600000000, 0.0007102300000000, -0.0032830500000000 ] - [ -0.0017159600000000, -0.0002210600000000, -0.0001073500000000 ] - [ -0.0013950600000000, -0.0046464000000000, 0.0058345700000000 ] - [ -0.0029074900000000, -0.0002673500000000, -0.0032318500000000 ] - [ -0.0009395800000000, -0.0004159400000000, 0.0004734700000000 ] - [ -0.0012410300000000, 0.0001785900000000, 0.0002454300000000 ] - [ -0.0011057500000000, -0.0001426800000000, 0.0002709100000000 ] - [ -0.0016601800000000, -0.0006173000000000, 0.0037772400000000 ] - [ 0.0006934800000000, 0.0002403700000000, 0.0016556700000000 ] - [ -0.0004508200000000, 0.0007396300000000, 0.0021740900000000 ] - [ -0.0016015200000000, 0.0000582100000000, -0.0001374200000000 ] - [ -0.0025936500000000, -0.0007677300000000, 0.0008962500000000 ] - [ -0.0003447300000000, 0.0000852900000000, 0.0007852100000000 ] - [ 0.0014870200000000, 0.0011114800000000, -0.0002523900000000 ] - [ -0.0072379200000000, -0.0012173300000000, -0.0002286600000000 ] - [ -0.0010307800000000, 0.0005225500000000, 0.0005129100000000 ] - [ -0.0015012200000000, -0.0003125600000000, 0.0014497500000000 ] - [ -0.0022067100000000, 0.0012308600000000, 0.0038420100000000 ] - [ -0.0025048700000000, 0.0013156000000000, 0.0026585500000000 ] - [ -0.0029322500000000, -0.0000247500000000, -0.0005444500000000 ]- atom: 4 displacement: [ 0.0099999987502926, 0.0000000000000000, -0.0000049994145799 ] forces: - [ 0.0023078300000000, 0.0013025800000000, -0.0068680800000000 ] - [ -0.0033262100000000, -0.0025902500000000, -0.0198418400000000 ] - [ 0.0032051600000000, 0.0000647500000000, -0.0020055300000000 ] - [ -0.1178958000000000, -0.0163628300000000, -0.0143574400000000 ] - [ 0.0029682700000000, -0.0003548200000000, 0.0004172500000000 ] - [ -0.0019791300000000, 0.0005746300000000, -0.0007805900000000 ] - [ 0.0011459000000000, 0.0001470000000000, -0.0026578800000000 ] - [ -0.0057075800000000, -0.0003870200000000, -0.0008158900000000 ] - [ 0.0024872400000000, 0.0007430700000000, 0.0039905600000000 ] - [ 0.0031855700000000, -0.0002863600000000, 0.0016174600000000 ] - [ 0.0086104000000000, 0.0013440900000000, 0.0168058900000000 ] - [ 0.0034615000000000, 0.0003070800000000, 0.0004621700000000 ] - [ -0.0243787100000000, -0.0010759300000000, -0.0038360000000000 ] - [ 0.0007854300000000, 0.0003040600000000, 0.0025461300000000 ] - [ 0.0010996500000000, -0.0001790300000000, 0.0048668400000000 ] - [ 0.0015593500000000, 0.0000368600000000, 0.0010615200000000 ] - [ 0.0006239100000000, -0.0005049800000000, -0.0008013800000000 ] - [ 0.0013032200000000, -0.0011815300000000, 0.0009586600000000 ] - [ 0.0007787700000000, -0.0005350300000000, 0.0012484300000000 ] - [ 0.0004134500000000, -0.0005571000000000, -0.0006302500000000 ] - [ -0.0001295100000000, -0.0010175000000000, -0.0037718900000000 ] - [ -0.0159011900000000, 0.0063331100000000, 0.0048937200000000 ] - [ 0.0000078200000000, -0.0002260200000000, -0.0037540500000000 ] - [ 0.0006015300000000, 0.0001761000000000, 0.0000916400000000 ] - [ 0.0115316900000000, 0.0063472000000000, 0.0266425500000000 ] - [ 0.0055994300000000, -0.0001505300000000, -0.0031373400000000 ] - [ 0.0010550300000000, -0.0007766100000000, -0.0011283100000000 ] - [ 0.0077195400000000, 0.0037394300000000, -0.0177663800000000 ] - [ 0.0152907200000000, 0.0024767900000000, -0.0063355800000000 ] - [ 0.0033347700000000, -0.0003339000000000, 0.0009922800000000 ] - [ 0.0019196600000000, -0.0007637800000000, 0.0035926300000000 ] - [ 0.0019810600000000, -0.0000630200000000, -0.0001606300000000 ] - [ 0.0013458600000000, 0.0004027300000000, 0.0030319400000000 ] - [ -0.0029244500000000, -0.0004919300000000, 0.0027818000000000 ] - [ 0.0030661100000000, 0.0005499700000000, -0.0009330400000000 ] - [ 0.0078965600000000, 0.0008186100000000, 0.0042172700000000 ] - [ 0.0004765200000000, 0.0017502800000000, 0.0050419900000000 ] - [ 0.0034939800000000, 0.0000954300000000, 0.0013279100000000 ] - [ 0.0026232800000000, -0.0001458000000000, -0.0001865300000000 ] - [ 0.0194968200000000, -0.0072061000000000, -0.0030334900000000 ] - [ -0.0021032600000000, 0.0000239300000000, 0.0007166700000000 ] - [ -0.0016064600000000, -0.0000654300000000, 0.0018930700000000 ] - [ -0.0012420400000000, -0.0006189500000000, -0.0015434800000000 ] - [ -0.0010197800000000, -0.0003562400000000, 0.0034680300000000 ] - [ -0.0041244600000000, 0.0005249200000000, -0.0018913100000000 ] - [ -0.0000810500000000, 0.0002878600000000, 0.0014250400000000 ] - [ -0.0034124100000000, 0.0000805400000000, -0.0002477100000000 ] - [ -0.0016028300000000, -0.0002102300000000, -0.0005633200000000 ] - [ -0.0008277200000000, -0.0007076100000000, 0.0003738900000000 ] - [ -0.0003464200000000, -0.0004962700000000, -0.0007967900000000 ] - [ -0.0017402700000000, 0.0002042700000000, 0.0006316800000000 ] - [ -0.0001072700000000, -0.0000252600000000, -0.0012289000000000 ] - [ 0.0004923900000000, 0.0010473600000000, 0.0033559700000000 ] - [ 0.0071925100000000, 0.0019374600000000, -0.0022789300000000 ] - [ -0.0015455000000000, 0.0011656300000000, 0.0024594800000000 ] - [ 0.0049040900000000, -0.0029203900000000, 0.0041417000000000 ] - [ 0.0001397000000000, -0.0009842300000000, 0.0017770500000000 ] - [ -0.0009602300000000, 0.0001186200000000, 0.0015059400000000 ] - [ 0.0009942600000000, -0.0000094800000000, 0.0011260800000000 ] - [ -0.0005126000000000, 0.0001916900000000, 0.0028532900000000 ] - [ 0.0090435400000000, 0.0038717400000000, -0.0018858200000000 ] - [ -0.0012548600000000, 0.0005818600000000, 0.0004768600000000 ] - [ 0.0140804400000000, 0.0123954300000000, -0.0086583700000000 ] - [ -0.0051732300000000, 0.0011410400000000, 0.0085702700000000 ] - [ 0.0011656300000000, 0.0004565900000000, -0.0006695000000000 ] - [ 0.0050522800000000, 0.0004867700000000, 0.0048607300000000 ] - [ -0.0023046000000000, -0.0007831700000000, -0.0004361400000000 ] - [ -0.0018672400000000, -0.0005521300000000, 0.0019875500000000 ] - [ -0.0022281200000000, 0.0001148400000000, -0.0002642900000000 ] - [ 0.0000526000000000, -0.0000531600000000, -0.0000169500000000 ] - [ 0.0029429200000000, 0.0017600500000000, 0.0054455800000000 ] - [ -0.0007384000000000, 0.0004082100000000, -0.0002183600000000 ] - [ -0.0019540900000000, 0.0001391600000000, -0.0001930500000000 ] - [ 0.0005348200000000, 0.0005681000000000, 0.0024016000000000 ] - [ 0.0003833300000000, -0.0004013300000000, 0.0014443400000000 ] - [ 0.0101394800000000, -0.0022480900000000, 0.0004668900000000 ] - [ 0.0047234100000000, -0.0004902700000000, 0.0012456900000000 ] - [ -0.0018720600000000, 0.0006062100000000, 0.0001906000000000 ] - [ -0.0017931200000000, 0.0000639100000000, -0.0003019100000000 ] - [ -0.0010962600000000, 0.0004760300000000, 0.0005054000000000 ] - [ 0.0008275100000000, 0.0000858800000000, 0.0004676400000000 ] - [ -0.0023080700000000, 0.0000311000000000, 0.0018033600000000 ] - [ -0.0006305300000000, -0.0001323000000000, -0.0016061500000000 ] - [ -0.0006988900000000, -0.0002923400000000, -0.0008618500000000 ] - [ -0.0019883500000000, 0.0006572900000000, -0.0020453100000000 ] - [ -0.0014370800000000, 0.0005004000000000, -0.0006691800000000 ] - [ -0.0018569400000000, 0.0005962000000000, -0.0022707300000000 ] - [ 0.0016329900000000, 0.0004626200000000, -0.0036535800000000 ] - [ -0.0003432100000000, -0.0008625200000000, -0.0012545700000000 ] - [ 0.0003770800000000, 0.0002693600000000, -0.0021815300000000 ] - [ -0.0013605100000000, -0.0000352800000000, 0.0000452200000000 ] - [ 0.0018057300000000, -0.0024205400000000, -0.0018583400000000 ] - [ -0.0015281800000000, -0.0005039400000000, -0.0002106100000000 ] - [ -0.0018235100000000, 0.0000909300000000, 0.0000750400000000 ] - [ 0.0006610200000000, -0.0000315000000000, 0.0001643200000000 ] - [ -0.0018311300000000, 0.0001047900000000, -0.0006005700000000 ] - [ 0.0132568300000000, 0.0089797600000000, 0.0018301400000000 ] - [ -0.0023529000000000, 0.0004030400000000, -0.0026660700000000 ] - [ -0.0064642600000000, 0.0021511300000000, -0.0069080000000000 ] - [ 0.0008787200000000, 0.0009910700000000, -0.0019535000000000 ] - [ -0.0017156600000000, -0.0006303900000000, -0.0012288600000000 ] - [ 0.0023077000000000, -0.0004119500000000, -0.0006606100000000 ] - [ 0.0135532900000000, -0.0021342000000000, 0.0055521100000000 ] - [ -0.0010095100000000, 0.0001925000000000, -0.0020089200000000 ] - [ -0.0003192900000000, 0.0004713200000000, -0.0012603200000000 ] - [ -0.0021259500000000, -0.0007962600000000, -0.0005917600000000 ] - [ -0.0006838500000000, 0.0003370900000000, -0.0010427300000000 ] - [ 0.0175631300000000, -0.0089120100000000, 0.0068716200000000 ] - [ 0.0058435200000000, -0.0028707400000000, 0.0056583600000000 ] - [ 0.0067702800000000, -0.0041558000000000, -0.0079656300000000 ] - [ -0.0003849600000000, -0.0008746300000000, -0.0024961100000000 ] - [ -0.0040756000000000, -0.0013137500000000, -0.0023879700000000 ]- atom: 4 displacement: [ -0.0099999987502926, 0.0000000000000000, 0.0000049994145799 ] forces: - [ -0.0023130600000000, -0.0004358900000000, 0.0068580300000000 ] - [ 0.0027620400000000, 0.0024422600000000, 0.0190722500000000 ] - [ -0.0034345900000000, 0.0005342400000000, 0.0007720200000000 ] - [ 0.1183559400000000, 0.0152600100000000, 0.0149895700000000 ] - [ -0.0029651600000000, -0.0000943200000000, -0.0004125800000000 ] - [ 0.0022055700000000, 0.0000268300000000, 0.0020184700000000 ] - [ -0.0006247100000000, -0.0002908900000000, 0.0033537700000000 ] - [ 0.0059408400000000, 0.0004524700000000, 0.0003812800000000 ] - [ -0.0024854200000000, 0.0001241900000000, -0.0039967900000000 ] - [ -0.0037085800000000, 0.0001427800000000, -0.0023261000000000 ] - [ -0.0088773700000000, -0.0007572100000000, -0.0181819800000000 ] - [ -0.0036933800000000, -0.0002395100000000, -0.0000383700000000 ] - [ 0.0243872400000000, 0.0006499300000000, 0.0037695100000000 ] - [ -0.0005521800000000, 0.0002942700000000, -0.0013238800000000 ] - [ -0.0005592500000000, 0.0000393300000000, -0.0041571200000000 ] - [ -0.0013215600000000, 0.0000299700000000, -0.0014748700000000 ] - [ -0.0001280800000000, 0.0000999200000000, 0.0009011300000000 ] - [ -0.0017867200000000, 0.0006929800000000, -0.0010411200000000 ] - [ -0.0002861100000000, 0.0001322600000000, -0.0011545900000000 ] - [ -0.0009080000000000, 0.0000846400000000, 0.0005353500000000 ] - [ -0.0000667800000000, -0.0001600900000000, 0.0045246700000000 ] - [ 0.0152940800000000, -0.0062395900000000, -0.0053881000000000 ] - [ 0.0006910900000000, 0.0004290900000000, 0.0047633500000000 ] - [ 0.0000218900000000, -0.0001276600000000, 0.0004723500000000 ] - [ -0.0125810700000000, -0.0051996300000000, -0.0263683600000000 ] - [ -0.0054010400000000, -0.0010239200000000, 0.0023605600000000 ] - [ -0.0003895600000000, 0.0003050400000000, 0.0010797800000000 ] - [ -0.0066751800000000, -0.0025725600000000, 0.0177637400000000 ] - [ -0.0159507000000000, -0.0022302200000000, 0.0052377800000000 ] - [ -0.0039907100000000, -0.0001386300000000, -0.0009343900000000 ] - [ -0.0021122200000000, -0.0004135200000000, -0.0028371400000000 ] - [ -0.0026035700000000, 0.0001095900000000, -0.0004131600000000 ] - [ -0.0006453000000000, -0.0001977400000000, -0.0020109300000000 ] - [ 0.0035521600000000, 0.0005298200000000, -0.0021934800000000 ] - [ -0.0041399600000000, 0.0005984200000000, 0.0009765400000000 ] - [ -0.0077070400000000, -0.0019931900000000, -0.0049847300000000 ] - [ 0.0001762800000000, -0.0022188700000000, -0.0051085400000000 ] - [ -0.0024195500000000, 0.0010490300000000, -0.0013604300000000 ] - [ -0.0033209200000000, 0.0003495700000000, -0.0008305800000000 ] - [ -0.0202345100000000, 0.0068297900000000, 0.0031556700000000 ] - [ 0.0017926100000000, 0.0001251400000000, -0.0008739200000000 ] - [ 0.0013622600000000, -0.0007171000000000, -0.0015854200000000 ] - [ 0.0014996800000000, -0.0001714200000000, 0.0012419900000000 ] - [ 0.0014174000000000, -0.0000817200000000, -0.0031485800000000 ] - [ 0.0036548600000000, -0.0009535500000000, 0.0015341400000000 ] - [ 0.0003916500000000, -0.0001344300000000, -0.0012754700000000 ] - [ 0.0031201300000000, 0.0000611100000000, 0.0000917900000000 ] - [ 0.0013572300000000, -0.0005726600000000, 0.0008727400000000 ] - [ 0.0010759200000000, -0.0000925100000000, -0.0006756800000000 ] - [ 0.0007506100000000, 0.0000600600000000, 0.0011101300000000 ] - [ 0.0013330900000000, -0.0006360300000000, -0.0009536200000000 ] - [ 0.0004154100000000, 0.0001760100000000, 0.0013811700000000 ] - [ 0.0000295900000000, -0.0004657100000000, -0.0034368600000000 ] - [ -0.0067268900000000, -0.0015337900000000, 0.0010471000000000 ] - [ 0.0015623700000000, -0.0006938300000000, -0.0014700400000000 ] - [ -0.0044062300000000, 0.0027800200000000, -0.0038116200000000 ] - [ -0.0002362800000000, 0.0009682500000000, -0.0023035000000000 ] - [ 0.0005191900000000, 0.0002807700000000, -0.0002957000000000 ] - [ -0.0006081500000000, -0.0008635700000000, -0.0011060300000000 ] - [ 0.0013171100000000, 0.0000544400000000, -0.0031323300000000 ] - [ -0.0083177600000000, -0.0040710800000000, 0.0023307200000000 ] - [ 0.0008732900000000, -0.0003481400000000, 0.0000681200000000 ] - [ -0.0136616800000000, -0.0117579900000000, 0.0082790200000000 ] - [ 0.0043981400000000, -0.0009010300000000, -0.0082868100000000 ] - [ -0.0002639500000000, -0.0004621700000000, 0.0006850000000000 ] - [ -0.0052287200000000, -0.0014939800000000, -0.0050374600000000 ] - [ 0.0023313600000000, 0.0010675400000000, 0.0005952700000000 ] - [ 0.0013489700000000, 0.0011278100000000, -0.0018951800000000 ] - [ 0.0018787200000000, -0.0002426900000000, 0.0009690300000000 ] - [ 0.0003497200000000, 0.0005068300000000, -0.0004096700000000 ] - [ -0.0034782900000000, -0.0022266500000000, -0.0056552700000000 ] - [ 0.0007056500000000, -0.0001222900000000, 0.0000551100000000 ] - [ 0.0010498200000000, -0.0001468900000000, 0.0001731900000000 ] - [ -0.0005472300000000, -0.0000979500000000, -0.0033830800000000 ] - [ -0.0005027100000000, 0.0005837800000000, -0.0014788600000000 ] - [ -0.0104137500000000, 0.0020050700000000, -0.0004373500000000 ] - [ -0.0043331900000000, 0.0007196300000000, -0.0017958000000000 ] - [ 0.0014673700000000, -0.0001529500000000, 0.0002311600000000 ] - [ 0.0010771600000000, -0.0002441600000000, 0.0004637100000000 ] - [ 0.0018121700000000, -0.0006584500000000, -0.0006754000000000 ] - [ -0.0004804700000000, -0.0002176400000000, -0.0011772100000000 ] - [ 0.0024154400000000, -0.0000450000000000, -0.0012621400000000 ] - [ 0.0011487800000000, 0.0007125000000000, 0.0015230200000000 ] - [ 0.0011367800000000, 0.0006920800000000, -0.0003410700000000 ] - [ 0.0020026000000000, -0.0001854500000000, 0.0030334600000000 ] - [ 0.0019291600000000, -0.0006419700000000, 0.0009903000000000 ] - [ 0.0017516200000000, -0.0006120600000000, 0.0017406800000000 ] - [ -0.0020850300000000, -0.0000644600000000, 0.0048597500000000 ] - [ 0.0007262900000000, -0.0000114900000000, 0.0012671000000000 ] - [ 0.0004250400000000, -0.0000216800000000, 0.0018973900000000 ] - [ 0.0018978700000000, -0.0004297900000000, 0.0001816200000000 ] - [ -0.0022360100000000, 0.0026519800000000, 0.0023655400000000 ] - [ 0.0016462100000000, 0.0006865600000000, 0.0002510100000000 ] - [ 0.0010178600000000, 0.0001558800000000, 0.0002122100000000 ] - [ 0.0002425000000000, 0.0000202300000000, -0.0001381600000000 ] - [ 0.0014447100000000, -0.0009782600000000, 0.0005844100000000 ] - [ -0.0134409300000000, -0.0091205200000000, -0.0015172000000000 ] - [ 0.0018327100000000, 0.0001763600000000, 0.0027575300000000 ] - [ 0.0061149100000000, -0.0022272700000000, 0.0076231300000000 ] - [ -0.0004741200000000, -0.0005397500000000, 0.0015347800000000 ] - [ 0.0011759600000000, 0.0001647200000000, 0.0009964600000000 ] - [ -0.0023327900000000, 0.0006947600000000, 0.0005126000000000 ] - [ -0.0145194000000000, 0.0020773400000000, -0.0057493400000000 ] - [ 0.0009910300000000, 0.0002763400000000, 0.0010280700000000 ] - [ 0.0001988400000000, -0.0002882200000000, 0.0012164800000000 ] - [ 0.0016309500000000, 0.0006543700000000, 0.0002654700000000 ] - [ 0.0010661000000000, -0.0001041800000000, 0.0005037100000000 ] - [ -0.0188635900000000, 0.0100775200000000, -0.0069464900000000 ] - [ -0.0068929900000000, 0.0028839300000000, -0.0051874500000000 ] - [ -0.0060499200000000, 0.0039684400000000, 0.0078027800000000 ] - [ 0.0007325800000000, 0.0007482200000000, 0.0017963000000000 ] - [ 0.0041757900000000, 0.0012997600000000, 0.0029209200000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001711300000000, 0.0006836900000000, -0.0003830200000000 ] - [ -0.0010148100000000, -0.0067313300000000, -0.0030568200000000 ] - [ 0.0001827100000000, 0.0002724400000000, -0.0006166900000000 ] - [ -0.0157925000000000, -0.0986219300000000, 0.0113724500000000 ] - [ 0.0001170100000000, -0.0002451000000000, 0.0000920900000000 ] - [ -0.0007341600000000, 0.0005724600000000, 0.0010564200000000 ] - [ 0.0004865600000000, -0.0001169800000000, 0.0005259400000000 ] - [ 0.0005378400000000, -0.0004645300000000, -0.0001893500000000 ] - [ 0.0003187300000000, 0.0004923200000000, 0.0003320400000000 ] - [ 0.0002694900000000, -0.0001327000000000, -0.0002057200000000 ] - [ 0.0020734500000000, -0.0045814100000000, -0.0014751400000000 ] - [ 0.0001538700000000, 0.0000633100000000, 0.0002390200000000 ] - [ -0.0022738900000000, 0.0136134600000000, -0.0043676300000000 ] - [ 0.0003652000000000, 0.0003037200000000, 0.0007263800000000 ] - [ 0.0007710400000000, 0.0000668200000000, 0.0009755300000000 ] - [ 0.0001135700000000, 0.0000398100000000, 0.0001283100000000 ] - [ 0.0001251100000000, -0.0002703000000000, -0.0000812600000000 ] - [ -0.0002836800000000, -0.0002796500000000, 0.0000907800000000 ] - [ 0.0002641900000000, -0.0002151700000000, 0.0001195100000000 ] - [ -0.0003421800000000, -0.0003253300000000, -0.0002345600000000 ] - [ -0.0005813600000000, -0.0004567900000000, 0.0003991800000000 ] - [ 0.0005961100000000, 0.0119426300000000, 0.0081732200000000 ] - [ 0.0004112400000000, 0.0002404300000000, 0.0008535800000000 ] - [ 0.0006266600000000, 0.0000347900000000, 0.0003720200000000 ] - [ 0.0000787000000000, -0.0145448300000000, 0.0051350200000000 ] - [ 0.0002821100000000, -0.0006986200000000, -0.0004236200000000 ] - [ 0.0000802100000000, -0.0003206900000000, -0.0000241200000000 ] - [ -0.0005398900000000, -0.0031474600000000, 0.0036721700000000 ] - [ 0.0046364400000000, 0.0253062300000000, -0.0029947000000000 ] - [ -0.0000476400000000, -0.0002428900000000, 0.0002073400000000 ] - [ 0.0002141100000000, -0.0006324000000000, 0.0006890100000000 ] - [ -0.0000139400000000, 0.0000250500000000, -0.0002131600000000 ] - [ 0.0004892500000000, 0.0001407000000000, 0.0008265700000000 ] - [ -0.0001119600000000, -0.0005057800000000, 0.0012991900000000 ] - [ -0.0004215500000000, 0.0005291900000000, -0.0001149200000000 ] - [ 0.0014839800000000, -0.0000359800000000, 0.0004060900000000 ] - [ 0.0001336200000000, 0.0001893000000000, 0.0000520600000000 ] - [ 0.0006882700000000, 0.0005382700000000, 0.0001829300000000 ] - [ -0.0000548800000000, 0.0000806900000000, -0.0006411200000000 ] - [ 0.0019204200000000, 0.0273017100000000, 0.0071807500000000 ] - [ -0.0003906000000000, 0.0000603800000000, -0.0000726300000000 ] - [ 0.0000733200000000, -0.0004091700000000, 0.0001647700000000 ] - [ 0.0002072700000000, 0.0001411000000000, -0.0003782600000000 ] - [ 0.0008105900000000, -0.0000157100000000, -0.0008600000000000 ] - [ -0.0001972700000000, -0.0000006100000000, -0.0005068800000000 ] - [ 0.0003309900000000, 0.0001117200000000, 0.0000789600000000 ] - [ -0.0003754100000000, -0.0004094200000000, -0.0002942100000000 ] - [ -0.0001490300000000, -0.0003425100000000, 0.0001080400000000 ] - [ 0.0001858600000000, -0.0004246800000000, -0.0000733400000000 ] - [ 0.0001408500000000, -0.0002493100000000, 0.0000255200000000 ] - [ -0.0003534500000000, -0.0002057300000000, 0.0000414800000000 ] - [ 0.0001125800000000, 0.0000446600000000, -0.0000341400000000 ] - [ 0.0005263100000000, 0.0002729700000000, 0.0000334900000000 ] - [ 0.0013008300000000, -0.0003370200000000, -0.0025975100000000 ] - [ -0.0000651800000000, 0.0002315400000000, 0.0004813700000000 ] - [ -0.0010665400000000, 0.0014998800000000, 0.0011271500000000 ] - [ 0.0000779800000000, -0.0001521600000000, -0.0002401800000000 ] - [ -0.0003559500000000, 0.0002343400000000, 0.0006031000000000 ] - [ 0.0000294300000000, -0.0004717700000000, -0.0000750300000000 ] - [ 0.0003561600000000, 0.0001945100000000, -0.0002001500000000 ] - [ 0.0015491000000000, 0.0114190500000000, -0.0002576000000000 ] - [ -0.0003841400000000, 0.0001519400000000, 0.0001797000000000 ] - [ 0.0040792500000000, 0.0091690400000000, -0.0093978100000000 ] - [ -0.0021234700000000, -0.0022436700000000, 0.0019627100000000 ] - [ 0.0006102600000000, 0.0001237000000000, -0.0002002500000000 ] - [ 0.0061830300000000, -0.0038601500000000, -0.0010504700000000 ] - [ -0.0001672400000000, 0.0000706800000000, 0.0000161400000000 ] - [ -0.0004008000000000, 0.0003791000000000, 0.0000227000000000 ] - [ -0.0003252900000000, -0.0000144500000000, 0.0002529600000000 ] - [ 0.0003215100000000, 0.0002829600000000, -0.0003574900000000 ] - [ -0.0006243300000000, -0.0009083200000000, -0.0016150100000000 ] - [ 0.0000643000000000, 0.0001011900000000, -0.0001262900000000 ] - [ -0.0006049400000000, -0.0000087600000000, -0.0000582300000000 ] - [ 0.0001372500000000, 0.0006013500000000, -0.0000614700000000 ] - [ -0.0001815700000000, 0.0001594300000000, -0.0002101700000000 ] - [ -0.0003146700000000, 0.0131865500000000, -0.0037689400000000 ] - [ 0.0011284700000000, 0.0001700200000000, -0.0001719200000000 ] - [ -0.0003425500000000, 0.0002344600000000, 0.0001650900000000 ] - [ -0.0004203900000000, -0.0000505200000000, -0.0000189900000000 ] - [ 0.0003229100000000, -0.0000358900000000, -0.0000854300000000 ] - [ 0.0004904500000000, -0.0001588200000000, -0.0003246400000000 ] - [ 0.0002748900000000, 0.0000199000000000, 0.0000758700000000 ] - [ 0.0001146200000000, 0.0002680400000000, -0.0001652500000000 ] - [ 0.0000616000000000, 0.0001430700000000, -0.0006105500000000 ] - [ -0.0001791200000000, 0.0003297000000000, 0.0003053400000000 ] - [ 0.0001524600000000, -0.0000505800000000, 0.0000622300000000 ] - [ -0.0003973600000000, 0.0000460000000000, -0.0004838900000000 ] - [ -0.0004364500000000, 0.0002553700000000, 0.0001472800000000 ] - [ 0.0001367200000000, -0.0005047700000000, -0.0002014100000000 ] - [ 0.0003456600000000, 0.0001670600000000, -0.0003569300000000 ] - [ 0.0002065000000000, -0.0002306100000000, 0.0001475800000000 ] - [ -0.0011960000000000, -0.0004415600000000, -0.0007633900000000 ] - [ -0.0000983000000000, 0.0000446600000000, 0.0000367900000000 ] - [ -0.0006155800000000, 0.0001241800000000, 0.0002436100000000 ] - [ 0.0002790700000000, 0.0000150800000000, -0.0000522300000000 ] - [ -0.0003551400000000, -0.0003964300000000, -0.0000320400000000 ] - [ 0.0025939600000000, 0.0075067900000000, -0.0040584900000000 ] - [ -0.0003381300000000, 0.0005040500000000, -0.0002498700000000 ] - [ -0.0029514200000000, -0.0022699400000000, -0.0005279300000000 ] - [ 0.0000878300000000, 0.0001212000000000, -0.0003492600000000 ] - [ -0.0003560500000000, -0.0002704500000000, -0.0002702500000000 ] - [ 0.0001159100000000, 0.0002542500000000, 0.0006166500000000 ] - [ 0.0018626500000000, 0.0048124100000000, 0.0038898900000000 ] - [ -0.0001900300000000, 0.0002033300000000, -0.0006295600000000 ] - [ -0.0000861500000000, 0.0001331600000000, -0.0002579800000000 ] - [ -0.0003206400000000, -0.0001015200000000, -0.0001726100000000 ] - [ -0.0000355300000000, 0.0001038500000000, -0.0004024300000000 ] - [ -0.0059233300000000, 0.0058647300000000, -0.0078077000000000 ] - [ 0.0012164700000000, 0.0044925600000000, 0.0018725900000000 ] - [ 0.0009911300000000, 0.0008176200000000, -0.0016977000000000 ] - [ 0.0000876300000000, -0.0000988400000000, -0.0004422300000000 ] - [ -0.0006223300000000, -0.0002713400000000, -0.0001780300000000 ]- atom: 4 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001719600000000, 0.0001856900000000, 0.0003875900000000 ] - [ 0.0004568200000000, 0.0065954000000000, 0.0023758100000000 ] - [ -0.0004211000000000, 0.0003258600000000, -0.0006072300000000 ] - [ 0.0158388100000000, 0.0989360900000000, -0.0110819200000000 ] - [ -0.0001204000000000, -0.0002063700000000, -0.0000902300000000 ] - [ 0.0009640200000000, 0.0000274400000000, 0.0001760100000000 ] - [ 0.0000330700000000, -0.0000270800000000, 0.0001806700000000 ] - [ -0.0003016200000000, 0.0005350200000000, -0.0002347400000000 ] - [ -0.0003194500000000, 0.0003779300000000, -0.0003397800000000 ] - [ -0.0007960400000000, -0.0000106400000000, -0.0005019700000000 ] - [ -0.0022518000000000, 0.0051676200000000, 0.0002383900000000 ] - [ -0.0003926100000000, 0.0000043100000000, 0.0001871200000000 ] - [ 0.0023168100000000, -0.0140857800000000, 0.0046027800000000 ] - [ -0.0001303000000000, 0.0002946700000000, 0.0004976100000000 ] - [ -0.0002379700000000, -0.0002089300000000, -0.0002738100000000 ] - [ 0.0001200300000000, 0.0000278700000000, -0.0005500300000000 ] - [ 0.0003596600000000, -0.0001309900000000, 0.0001778000000000 ] - [ -0.0002117200000000, -0.0001971100000000, -0.0001898500000000 ] - [ 0.0002229500000000, -0.0001891400000000, -0.0000279800000000 ] - [ -0.0001489300000000, -0.0001495300000000, 0.0001370800000000 ] - [ 0.0003862500000000, -0.0007208800000000, 0.0003592400000000 ] - [ -0.0012573900000000, -0.0117885200000000, -0.0088249400000000 ] - [ 0.0002860100000000, -0.0000377400000000, 0.0001657300000000 ] - [ -0.0000036800000000, 0.0000129600000000, 0.0001981200000000 ] - [ -0.0011979600000000, 0.0156151500000000, -0.0051659100000000 ] - [ -0.0000911100000000, -0.0004783600000000, -0.0003295400000000 ] - [ 0.0005837600000000, -0.0001499500000000, -0.0000273900000000 ] - [ 0.0016194100000000, 0.0043368100000000, -0.0037311900000000 ] - [ -0.0051814400000000, -0.0251363900000000, 0.0018758700000000 ] - [ -0.0006197000000000, -0.0002282600000000, -0.0001507900000000 ] - [ -0.0004056900000000, -0.0005463200000000, 0.0000637200000000 ] - [ -0.0006137200000000, 0.0000230900000000, -0.0003567900000000 ] - [ 0.0002090500000000, 0.0000636700000000, 0.0001890600000000 ] - [ 0.0007391500000000, 0.0005485600000000, -0.0007179400000000 ] - [ -0.0006581200000000, 0.0006194000000000, 0.0001578000000000 ] - [ -0.0013106300000000, -0.0011502200000000, -0.0011811000000000 ] - [ 0.0005356900000000, -0.0006596400000000, -0.0001122300000000 ] - [ 0.0003806300000000, 0.0006093900000000, -0.0002211000000000 ] - [ -0.0006464200000000, 0.0001238400000000, -0.0003760000000000 ] - [ -0.0029767000000000, -0.0280093500000000, -0.0071486300000000 ] - [ 0.0000851700000000, 0.0000884600000000, -0.0000801500000000 ] - [ -0.0003231100000000, -0.0003753800000000, 0.0001396800000000 ] - [ 0.0000548500000000, -0.0009315600000000, 0.0000794800000000 ] - [ -0.0004124800000000, -0.0004212400000000, 0.0011709500000000 ] - [ -0.0002007600000000, -0.0004325400000000, 0.0001895900000000 ] - [ -0.0000222700000000, 0.0000385600000000, 0.0000634700000000 ] - [ 0.0000734000000000, 0.0005601200000000, 0.0001479200000000 ] - [ -0.0000999400000000, -0.0004469500000000, 0.0001998200000000 ] - [ 0.0000687300000000, -0.0003704100000000, -0.0002258000000000 ] - [ 0.0002610600000000, -0.0001860300000000, 0.0002902700000000 ] - [ -0.0000466400000000, -0.0002277800000000, -0.0003601000000000 ] - [ 0.0001948200000000, 0.0001054000000000, 0.0001845600000000 ] - [ -0.0000071300000000, 0.0003043000000000, -0.0001204700000000 ] - [ -0.0008407800000000, 0.0007223900000000, 0.0013765200000000 ] - [ 0.0000847100000000, 0.0002378400000000, 0.0005014300000000 ] - [ 0.0015650100000000, -0.0016542700000000, -0.0008208900000000 ] - [ -0.0001786600000000, 0.0001389200000000, -0.0002930900000000 ] - [ -0.0000803800000000, 0.0001651700000000, 0.0006015800000000 ] - [ 0.0003567200000000, -0.0004036900000000, 0.0000905400000000 ] - [ 0.0004506800000000, 0.0000521500000000, -0.0000895400000000 ] - [ -0.0007245500000000, -0.0115082600000000, 0.0007976900000000 ] - [ 0.0000063700000000, 0.0000804800000000, 0.0003625900000000 ] - [ -0.0034604700000000, -0.0084788300000000, 0.0089543300000000 ] - [ 0.0013596500000000, 0.0024942200000000, -0.0016863400000000 ] - [ 0.0002926000000000, -0.0001331600000000, 0.0002200700000000 ] - [ -0.0064454400000000, 0.0028434200000000, 0.0009470000000000 ] - [ 0.0001960200000000, 0.0002151000000000, 0.0001434000000000 ] - [ -0.0001162800000000, 0.0001994500000000, 0.0000631000000000 ] - [ -0.0000188600000000, -0.0001146600000000, 0.0004548800000000 ] - [ 0.0000834600000000, 0.0001722900000000, -0.0000693600000000 ] - [ 0.0000877300000000, 0.0004438500000000, 0.0014037200000000 ] - [ -0.0000904600000000, 0.0001836000000000, -0.0000340400000000 ] - [ -0.0002961500000000, -0.0000018400000000, 0.0000363100000000 ] - [ -0.0001545700000000, -0.0001286300000000, -0.0009229900000000 ] - [ 0.0000630700000000, 0.0000244400000000, 0.0001704500000000 ] - [ 0.0000045200000000, -0.0134422900000000, 0.0037264100000000 ] - [ -0.0007442300000000, 0.0000618600000000, -0.0003746700000000 ] - [ -0.0000594300000000, 0.0002191200000000, 0.0002577800000000 ] - [ -0.0002959900000000, -0.0001313700000000, 0.0001829500000000 ] - [ 0.0003995800000000, -0.0001476400000000, -0.0000829900000000 ] - [ -0.0001428500000000, 0.0000276900000000, -0.0003866000000000 ] - [ -0.0001740600000000, -0.0000352500000000, 0.0004565300000000 ] - [ 0.0004044800000000, 0.0003108500000000, 0.0000805800000000 ] - [ 0.0003767500000000, 0.0002571800000000, -0.0005943000000000 ] - [ 0.0001944200000000, 0.0001474700000000, 0.0006859600000000 ] - [ 0.0003422000000000, -0.0000905800000000, 0.0002606900000000 ] - [ 0.0002918700000000, -0.0000609000000000, -0.0000466300000000 ] - [ -0.0000082500000000, 0.0001446000000000, 0.0010592400000000 ] - [ 0.0002479900000000, -0.0003713300000000, 0.0002167900000000 ] - [ 0.0004575000000000, 0.0000803000000000, 0.0000729400000000 ] - [ 0.0003362900000000, -0.0002342300000000, 0.0000801000000000 ] - [ 0.0007782900000000, 0.0006517900000000, 0.0012767900000000 ] - [ 0.0002201400000000, 0.0001406200000000, 0.0000035900000000 ] - [ -0.0001881900000000, 0.0001225700000000, 0.0000447800000000 ] - [ 0.0006241900000000, -0.0000253700000000, 0.0000742200000000 ] - [ -0.0000280300000000, -0.0004802800000000, 0.0000165300000000 ] - [ -0.0030881600000000, -0.0081894000000000, 0.0045502400000000 ] - [ -0.0001790600000000, 0.0000713500000000, 0.0003464400000000 ] - [ 0.0026424100000000, 0.0021514900000000, 0.0012806800000000 ] - [ 0.0003147700000000, 0.0003315900000000, -0.0000746600000000 ] - [ -0.0001825100000000, -0.0001945600000000, 0.0000415800000000 ] - [ -0.0001508900000000, 0.0000265700000000, -0.0007780200000000 ] - [ -0.0028101100000000, -0.0049412500000000, -0.0040916500000000 ] - [ 0.0001720800000000, 0.0002666600000000, -0.0003522500000000 ] - [ -0.0000340700000000, 0.0000514400000000, 0.0002170500000000 ] - [ -0.0001688100000000, -0.0000372900000000, -0.0001508300000000 ] - [ 0.0004165000000000, 0.0001289200000000, -0.0001386100000000 ] - [ 0.0050821500000000, -0.0051211900000000, 0.0080527900000000 ] - [ -0.0021042900000000, -0.0045049900000000, -0.0015097400000000 ] - [ -0.0002873500000000, -0.0009902600000000, 0.0015274300000000 ] - [ 0.0002575400000000, -0.0000300900000000, -0.0002647400000000 ] - [ 0.0007318000000000, 0.0002617200000000, 0.0007177200000000 ]- atom: 4 displacement: [ -0.0057565208649526, 0.0000000000000000, 0.0081769473235044 ] forces: - [ -0.0053720200000000, -0.0002518400000000, 0.0067197800000000 ] - [ -0.0113108600000000, 0.0015770400000000, 0.0218948900000000 ] - [ -0.0030619000000000, 0.0003066300000000, 0.0005647100000000 ] - [ 0.0557467900000000, 0.0180077400000000, -0.1152262100000000 ] - [ -0.0012632400000000, -0.0001455500000000, 0.0006819600000000 ] - [ -0.0018496800000000, 0.0007094800000000, 0.0065402100000000 ] - [ -0.0022821300000000, -0.0004707100000000, 0.0041346400000000 ] - [ 0.0029992300000000, 0.0002588200000000, 0.0061542800000000 ] - [ 0.0008925700000000, 0.0002652000000000, -0.0014441800000000 ] - [ -0.0007391300000000, -0.0001551200000000, -0.0004889200000000 ] - [ 0.0092134500000000, -0.0022249900000000, -0.0100770800000000 ] - [ -0.0019697400000000, -0.0001021000000000, 0.0004923800000000 ] - [ 0.0102263100000000, -0.0021471000000000, 0.0120576900000000 ] - [ 0.0010861500000000, 0.0005269900000000, 0.0017788900000000 ] - [ 0.0053623600000000, 0.0005335900000000, 0.0009198300000000 ] - [ 0.0003226900000000, -0.0002450300000000, 0.0021423900000000 ] - [ -0.0006349900000000, -0.0002544700000000, 0.0007148300000000 ] - [ -0.0009367200000000, 0.0008669500000000, -0.0013797300000000 ] - [ 0.0003598600000000, -0.0001607600000000, -0.0002697000000000 ] - [ -0.0006415900000000, -0.0003822500000000, -0.0003229400000000 ] - [ -0.0040324500000000, 0.0001198400000000, 0.0057507000000000 ] - [ 0.0119747600000000, 0.0068077300000000, 0.0117369000000000 ] - [ -0.0016605800000000, 0.0004183600000000, 0.0065516500000000 ] - [ -0.0000964300000000, -0.0004172700000000, 0.0025059100000000 ] - [ 0.0168053000000000, 0.0053168900000000, -0.0019206100000000 ] - [ -0.0069379400000000, -0.0011185200000000, -0.0010576500000000 ] - [ -0.0006904800000000, 0.0002168000000000, 0.0030703100000000 ] - [ -0.0154328900000000, -0.0023048600000000, 0.0209678000000000 ] - [ -0.0206953800000000, -0.0008867700000000, -0.0096482800000000 ] - [ -0.0021269800000000, -0.0000252100000000, -0.0008994800000000 ] - [ 0.0022315300000000, -0.0010565700000000, 0.0006206700000000 ] - [ -0.0017394200000000, 0.0003282600000000, 0.0006076300000000 ] - [ 0.0019492400000000, 0.0004414400000000, 0.0007074500000000 ] - [ 0.0039014700000000, -0.0008836700000000, 0.0050392500000000 ] - [ -0.0035851500000000, 0.0006429400000000, 0.0013281300000000 ] - [ -0.0018680900000000, -0.0009499800000000, -0.0046575600000000 ] - [ 0.0043194200000000, -0.0004748900000000, 0.0024904700000000 ] - [ 0.0005341400000000, 0.0007382200000000, -0.0001538600000000 ] - [ -0.0016202300000000, 0.0002078800000000, -0.0009467800000000 ] - [ -0.0196611500000000, 0.0009730600000000, -0.0194101200000000 ] - [ 0.0012170400000000, 0.0001591300000000, 0.0001332900000000 ] - [ 0.0016593700000000, -0.0011169200000000, -0.0002679800000000 ] - [ -0.0013666800000000, -0.0016895100000000, 0.0008136200000000 ] - [ 0.0034450900000000, 0.0004134700000000, -0.0048931500000000 ] - [ 0.0003073300000000, -0.0007679600000000, 0.0058708400000000 ] - [ 0.0012848700000000, -0.0000122900000000, -0.0019061600000000 ] - [ 0.0012790700000000, 0.0006211500000000, 0.0017113800000000 ] - [ -0.0000499600000000, -0.0004974700000000, 0.0006490300000000 ] - [ 0.0013406000000000, -0.0001882700000000, -0.0005046100000000 ] - [ -0.0002294300000000, -0.0003132900000000, 0.0003038400000000 ] - [ 0.0006079100000000, -0.0004626700000000, -0.0003735100000000 ] - [ -0.0006113900000000, 0.0001530300000000, 0.0002792900000000 ] - [ 0.0019733500000000, -0.0006203000000000, -0.0039738900000000 ] - [ -0.0004598900000000, -0.0012917100000000, -0.0054390500000000 ] - [ 0.0023067600000000, -0.0004423100000000, -0.0007147900000000 ] - [ -0.0000643000000000, 0.0009770900000000, -0.0050778500000000 ] - [ 0.0022578900000000, 0.0007531600000000, -0.0018284800000000 ] - [ 0.0008821700000000, 0.0000568400000000, -0.0009563400000000 ] - [ 0.0003892500000000, -0.0004269600000000, -0.0018479000000000 ] - [ 0.0027174500000000, 0.0001348600000000, -0.0045950300000000 ] - [ -0.0079678400000000, -0.0023376100000000, 0.0096775400000000 ] - [ 0.0006578300000000, -0.0000675800000000, -0.0003736200000000 ] - [ -0.0141640300000000, -0.0164807800000000, 0.0236436100000000 ] - [ 0.0074129400000000, -0.0000466700000000, -0.0071483500000000 ] - [ -0.0003735100000000, 0.0011483800000000, -0.0021259500000000 ] - [ 0.0025403500000000, -0.0033501600000000, 0.0040757100000000 ] - [ 0.0011834900000000, 0.0006407400000000, 0.0002438800000000 ] - [ 0.0020584300000000, 0.0006826500000000, -0.0011900700000000 ] - [ 0.0016105800000000, -0.0000955100000000, 0.0009255700000000 ] - [ 0.0005564600000000, 0.0008825300000000, -0.0020733700000000 ] - [ -0.0005272300000000, -0.0016432400000000, -0.0073511400000000 ] - [ 0.0002179700000000, -0.0000745400000000, -0.0009402100000000 ] - [ 0.0004913000000000, -0.0003423000000000, -0.0003145600000000 ] - [ 0.0021381200000000, 0.0007042800000000, -0.0046093800000000 ] - [ 0.0008419500000000, -0.0000094100000000, -0.0026536700000000 ] - [ -0.0061637600000000, -0.0077248800000000, 0.0105799100000000 ] - [ -0.0022818900000000, -0.0000493500000000, -0.0055901800000000 ] - [ 0.0007518700000000, 0.0000474700000000, 0.0001611400000000 ] - [ 0.0001866000000000, -0.0002569300000000, 0.0000722100000000 ] - [ 0.0014325600000000, -0.0006727900000000, -0.0015964300000000 ] - [ 0.0009092300000000, -0.0012103300000000, -0.0025756100000000 ] - [ 0.0063137000000000, 0.0000332800000000, 0.0005827200000000 ] - [ -0.0002727100000000, 0.0004472200000000, 0.0000739900000000 ] - [ 0.0007240000000000, 0.0003552300000000, -0.0012725400000000 ] - [ -0.0011954100000000, 0.0014264100000000, 0.0022969200000000 ] - [ 0.0003090300000000, -0.0002542800000000, -0.0001485200000000 ] - [ -0.0020422200000000, 0.0000234800000000, -0.0004581700000000 ] - [ -0.0033673600000000, 0.0001844500000000, 0.0005947900000000 ] - [ -0.0009025200000000, -0.0006163000000000, -0.0008743900000000 ] - [ -0.0008352000000000, 0.0002991300000000, 0.0006815500000000 ] - [ 0.0012878000000000, -0.0003241700000000, -0.0000823200000000 ] - [ -0.0076672900000000, 0.0019091300000000, -0.0034996200000000 ] - [ 0.0007710300000000, 0.0003418300000000, 0.0000140500000000 ] - [ -0.0001962900000000, 0.0000782300000000, 0.0004157100000000 ] - [ 0.0001461600000000, 0.0008040700000000, -0.0017619400000000 ] - [ 0.0004877600000000, -0.0006658300000000, 0.0001679400000000 ] - [ -0.0019216600000000, -0.0046058700000000, 0.0111298100000000 ] - [ -0.0009912700000000, -0.0003974500000000, 0.0020389800000000 ] - [ 0.0003765100000000, -0.0046484600000000, 0.0114542100000000 ] - [ -0.0010129000000000, 0.0001110400000000, -0.0013688500000000 ] - [ -0.0002145600000000, -0.0001341800000000, -0.0004244900000000 ] - [ -0.0032517300000000, 0.0009198500000000, -0.0028159200000000 ] - [ -0.0020002600000000, 0.0038798800000000, 0.0246733500000000 ] - [ -0.0005312100000000, 0.0000221200000000, -0.0003269100000000 ] - [ -0.0009305800000000, 0.0001216700000000, -0.0007199300000000 ] - [ 0.0009460600000000, 0.0003955300000000, -0.0001325900000000 ] - [ 0.0001151000000000, 0.0000484300000000, -0.0008977200000000 ] - [ -0.0089453400000000, 0.0079617600000000, 0.0114229100000000 ] - [ 0.0018191100000000, 0.0021021300000000, 0.0037900500000000 ] - [ -0.0046758800000000, 0.0006007000000000, -0.0002649700000000 ] - [ -0.0010018500000000, -0.0007088200000000, -0.0020616500000000 ] - [ 0.0005459200000000, 0.0005006500000000, 0.0012837200000000 ]- atom: 4 displacement: [ 0.0057565208649526, 0.0000000000000000, -0.0081769473235044 ] forces: - [ 0.0053830100000000, 0.0011191900000000, -0.0067266200000000 ] - [ 0.0109250300000000, -0.0017422200000000, -0.0228399000000000 ] - [ 0.0028351800000000, 0.0002918100000000, -0.0017896100000000 ] - [ -0.0561493800000000, -0.0185481000000000, 0.1167083400000000 ] - [ 0.0012616100000000, -0.0003065500000000, -0.0006824200000000 ] - [ 0.0020762800000000, -0.0001095500000000, -0.0053235200000000 ] - [ 0.0028144900000000, 0.0003264300000000, -0.0034280000000000 ] - [ -0.0027343500000000, -0.0001869600000000, -0.0065760200000000 ] - [ -0.0008876500000000, 0.0006055900000000, 0.0014498900000000 ] - [ 0.0002268300000000, 0.0000101200000000, -0.0002162900000000 ] - [ -0.0094130800000000, 0.0028486900000000, 0.0089284200000000 ] - [ 0.0017395000000000, 0.0001704600000000, -0.0000676600000000 ] - [ -0.0101082700000000, 0.0016899000000000, -0.0120571700000000 ] - [ -0.0008453400000000, 0.0000724900000000, -0.0005587900000000 ] - [ -0.0048478400000000, -0.0006771600000000, -0.0002059500000000 ] - [ -0.0000955300000000, 0.0003138100000000, -0.0025693600000000 ] - [ 0.0011370300000000, -0.0001497500000000, -0.0006164300000000 ] - [ 0.0004410500000000, -0.0013484500000000, 0.0012885700000000 ] - [ 0.0001354200000000, -0.0002388400000000, 0.0003636100000000 ] - [ 0.0001478500000000, -0.0000941100000000, 0.0002183500000000 ] - [ 0.0038421000000000, -0.0012971500000000, -0.0050059800000000 ] - [ -0.0127083100000000, -0.0068040800000000, -0.0123201400000000 ] - [ 0.0023645300000000, -0.0002137000000000, -0.0055346100000000 ] - [ 0.0007308700000000, 0.0004655300000000, -0.0019376700000000 ] - [ -0.0179242700000000, -0.0041749000000000, 0.0018469400000000 ] - [ 0.0071528300000000, -0.0000520100000000, 0.0003104200000000 ] - [ 0.0013487400000000, -0.0006897900000000, -0.0031347500000000 ] - [ 0.0163307900000000, 0.0034825600000000, -0.0208485200000000 ] - [ 0.0201254900000000, 0.0011815800000000, 0.0086914700000000 ] - [ 0.0014675400000000, -0.0004477600000000, 0.0009616500000000 ] - [ -0.0024251000000000, -0.0001217900000000, 0.0001353600000000 ] - [ 0.0011224300000000, -0.0002804900000000, -0.0011780700000000 ] - [ -0.0012587500000000, -0.0002384200000000, 0.0003119800000000 ] - [ -0.0033072900000000, 0.0009266800000000, -0.0044751900000000 ] - [ 0.0025145200000000, 0.0005028600000000, -0.0012957000000000 ] - [ 0.0020866500000000, -0.0002228000000000, 0.0039084800000000 ] - [ -0.0036562500000000, -0.0000005300000000, -0.0025667400000000 ] - [ 0.0005325500000000, 0.0004078300000000, 0.0001198500000000 ] - [ 0.0009297200000000, -0.0000038400000000, -0.0000748300000000 ] - [ 0.0190184900000000, -0.0014685200000000, 0.0193039400000000 ] - [ -0.0015299900000000, -0.0000093700000000, -0.0002891100000000 ] - [ -0.0019153600000000, 0.0003286800000000, 0.0005875000000000 ] - [ 0.0016360700000000, 0.0009039700000000, -0.0011166400000000 ] - [ -0.0030401600000000, -0.0008481500000000, 0.0051932100000000 ] - [ -0.0007215500000000, 0.0003356700000000, -0.0062264000000000 ] - [ -0.0009745700000000, 0.0001628800000000, 0.0020561700000000 ] - [ -0.0016022600000000, -0.0004761700000000, -0.0018566500000000 ] - [ -0.0001981100000000, -0.0002899500000000, -0.0003427200000000 ] - [ -0.0010841000000000, -0.0006091000000000, 0.0002068600000000 ] - [ 0.0006329700000000, -0.0001228300000000, 0.0000084900000000 ] - [ -0.0010130800000000, 0.0000279800000000, 0.0000635300000000 ] - [ 0.0009207000000000, -0.0000019700000000, -0.0001294700000000 ] - [ -0.0014575200000000, 0.0011980700000000, 0.0038974900000000 ] - [ 0.0009243300000000, 0.0017121100000000, 0.0042306900000000 ] - [ -0.0022956700000000, 0.0009137800000000, 0.0016971900000000 ] - [ 0.0005688200000000, -0.0011009300000000, 0.0053774400000000 ] - [ -0.0023625900000000, -0.0007686000000000, 0.0012971700000000 ] - [ -0.0013259100000000, 0.0003444400000000, 0.0021637000000000 ] - [ -0.0000100500000000, -0.0004495400000000, 0.0018624900000000 ] - [ -0.0019170000000000, 0.0001123600000000, 0.0043130200000000 ] - [ 0.0085557600000000, 0.0019202900000000, -0.0093673500000000 ] - [ -0.0010433100000000, 0.0003009200000000, 0.0009142000000000 ] - [ 0.0151147600000000, 0.0177012700000000, -0.0245009100000000 ] - [ -0.0081982300000000, 0.0002677000000000, 0.0074218300000000 ] - [ 0.0012841200000000, -0.0011578900000000, 0.0021504300000000 ] - [ -0.0026050100000000, 0.0022236000000000, -0.0044575400000000 ] - [ -0.0011588700000000, -0.0003577100000000, -0.0000855700000000 ] - [ -0.0025820700000000, -0.0001053100000000, 0.0012751000000000 ] - [ -0.0019622000000000, -0.0000327700000000, -0.0002230400000000 ] - [ -0.0001496100000000, -0.0004288400000000, 0.0016532600000000 ] - [ -0.0000155500000000, 0.0011649500000000, 0.0071239800000000 ] - [ -0.0002416700000000, 0.0003574000000000, 0.0007830300000000 ] - [ -0.0013976500000000, 0.0003334900000000, 0.0002924500000000 ] - [ -0.0021599600000000, -0.0002312500000000, 0.0036391100000000 ] - [ -0.0009666300000000, 0.0001950900000000, 0.0026148100000000 ] - [ 0.0058379000000000, 0.0074907700000000, -0.0106994200000000 ] - [ 0.0026851100000000, 0.0002803500000000, 0.0050741700000000 ] - [ -0.0011574600000000, 0.0004065300000000, 0.0002597400000000 ] - [ -0.0009033100000000, 0.0000767800000000, 0.0000913800000000 ] - [ -0.0007147200000000, 0.0004929200000000, 0.0014332900000000 ] - [ -0.0005593400000000, 0.0010834200000000, 0.0018752500000000 ] - [ -0.0062425900000000, -0.0000482100000000, -0.0000567400000000 ] - [ 0.0007900000000000, 0.0001307200000000, -0.0001601100000000 ] - [ -0.0002909600000000, 0.0000436500000000, 0.0000700400000000 ] - [ 0.0012064800000000, -0.0009546700000000, -0.0013202600000000 ] - [ 0.0001856800000000, 0.0001134600000000, 0.0004718100000000 ] - [ 0.0019405000000000, -0.0000372900000000, -0.0000759300000000 ] - [ 0.0029448300000000, 0.0002158200000000, 0.0005957700000000 ] - [ 0.0012924700000000, -0.0002590100000000, 0.0008900900000000 ] - [ 0.0016435200000000, -0.0000516700000000, -0.0009735200000000 ] - [ -0.0007477000000000, -0.0001419700000000, 0.0003137800000000 ] - [ 0.0072839000000000, -0.0016982600000000, 0.0040133100000000 ] - [ -0.0006548300000000, -0.0001583600000000, 0.0000270500000000 ] - [ -0.0006145300000000, 0.0001690000000000, -0.0001246100000000 ] - [ 0.0007506200000000, -0.0008140800000000, 0.0017841800000000 ] - [ -0.0008756600000000, -0.0002092800000000, -0.0001839100000000 ] - [ 0.0016783000000000, 0.0044312100000000, -0.0107956800000000 ] - [ 0.0004643900000000, 0.0009732900000000, -0.0019580200000000 ] - [ -0.0007494400000000, 0.0045559600000000, -0.0107568000000000 ] - [ 0.0014113800000000, 0.0003396300000000, 0.0009525800000000 ] - [ -0.0003236600000000, -0.0003326500000000, 0.0001938700000000 ] - [ 0.0032126000000000, -0.0006315700000000, 0.0026628300000000 ] - [ 0.0007533600000000, -0.0041250800000000, -0.0253637700000000 ] - [ 0.0005108700000000, 0.0004478700000000, -0.0006564400000000 ] - [ 0.0008164400000000, 0.0000627400000000, 0.0006782500000000 ] - [ -0.0014381500000000, -0.0005355400000000, -0.0001899800000000 ] - [ 0.0002593000000000, 0.0001834200000000, 0.0003550400000000 ] - [ 0.0084629500000000, -0.0074247800000000, -0.0110530500000000 ] - [ -0.0031368800000000, -0.0018710400000000, -0.0028615400000000 ] - [ 0.0053511100000000, -0.0007796800000000, 0.0001385700000000 ] - [ 0.0013457100000000, 0.0005813500000000, 0.0013602700000000 ] - [ -0.0004561600000000, -0.0005180500000000, -0.0007565900000000 ]- atom: 5 displacement: [ 0.0099999987502926, 0.0000000000000000, -0.0000049994145799 ] forces: - [ 0.0016852200000000, 0.0004342900000000, 0.0037338000000000 ] - [ 0.0012038700000000, -0.0000884900000000, 0.0024500200000000 ] - [ -0.0006328500000000, 0.0001039600000000, 0.0040776400000000 ] - [ 0.0028493000000000, 0.0001521900000000, 0.0007530600000000 ] - [ -0.1188440300000000, -0.0001022300000000, -0.0008487700000000 ] - [ -0.0004062800000000, 0.0004926200000000, 0.0052996800000000 ] - [ 0.0017257100000000, -0.0000554600000000, 0.0031602200000000 ] - [ 0.0030841100000000, -0.0000850800000000, 0.0003353700000000 ] - [ 0.0007432500000000, 0.0004337400000000, -0.0052167800000000 ] - [ -0.0018939300000000, -0.0007248400000000, -0.0050193800000000 ] - [ 0.0010899900000000, 0.0001031600000000, -0.0023197400000000 ] - [ -0.0245099500000000, -0.0022701300000000, -0.0044931000000000 ] - [ 0.0036522300000000, -0.0002245000000000, 0.0002167000000000 ] - [ 0.0013233200000000, 0.0004960800000000, -0.0010848800000000 ] - [ -0.0013679800000000, 0.0005808500000000, -0.0043184000000000 ] - [ -0.0242562600000000, 0.0023157300000000, -0.0049861200000000 ] - [ 0.0009385800000000, -0.0006931800000000, 0.0010385800000000 ] - [ 0.0004438700000000, 0.0002497200000000, 0.0009343700000000 ] - [ 0.0012405700000000, -0.0005308000000000, -0.0005150400000000 ] - [ 0.0007454700000000, 0.0000983100000000, -0.0006158700000000 ] - [ 0.0032588100000000, -0.0010524200000000, 0.0044169400000000 ] - [ -0.0000079100000000, 0.0000963200000000, 0.0001989600000000 ] - [ 0.0022923000000000, 0.0004059500000000, 0.0021918500000000 ] - [ 0.0006164100000000, -0.0000497800000000, 0.0007758600000000 ] - [ 0.0036423800000000, 0.0008564900000000, 0.0001679400000000 ] - [ 0.0034621400000000, -0.0001215200000000, 0.0036595600000000 ] - [ 0.0129713100000000, -0.0015127400000000, 0.0209053000000000 ] - [ 0.0047209400000000, 0.0002904200000000, 0.0001302300000000 ] - [ 0.0015956900000000, -0.0002015500000000, 0.0011696500000000 ] - [ 0.0123099600000000, 0.0010510000000000, 0.0208757100000000 ] - [ 0.0015924300000000, -0.0010565200000000, -0.0036416900000000 ] - [ -0.0038772100000000, -0.0001599100000000, 0.0005367300000000 ] - [ -0.0000627900000000, -0.0009917100000000, -0.0106351400000000 ] - [ -0.0032533900000000, 0.0002084700000000, 0.0010932700000000 ] - [ 0.0230708700000000, -0.0057897500000000, -0.0020311000000000 ] - [ 0.0017800000000000, -0.0001208600000000, -0.0043991200000000 ] - [ 0.0029872300000000, -0.0005232900000000, -0.0005629500000000 ] - [ 0.0240379900000000, 0.0067910900000000, -0.0020742300000000 ] - [ -0.0007702800000000, 0.0011978300000000, -0.0116565600000000 ] - [ 0.0023244100000000, 0.0000517300000000, -0.0005136500000000 ] - [ -0.0012089500000000, -0.0000555200000000, -0.0015429100000000 ] - [ -0.0017957300000000, -0.0001256100000000, 0.0001704600000000 ] - [ -0.0015478600000000, -0.0006679700000000, -0.0001399300000000 ] - [ -0.0009442100000000, -0.0006038000000000, -0.0002257000000000 ] - [ -0.0013522000000000, 0.0001704700000000, -0.0005414300000000 ] - [ -0.0008979500000000, 0.0002063300000000, -0.0013827600000000 ] - [ -0.0012773500000000, -0.0000763400000000, 0.0013410700000000 ] - [ -0.0032893600000000, 0.0003322700000000, -0.0001028400000000 ] - [ -0.0030707800000000, -0.0011179300000000, -0.0004156700000000 ] - [ -0.0029100600000000, -0.0008090600000000, 0.0042302700000000 ] - [ -0.0033028500000000, 0.0003715200000000, 0.0038950300000000 ] - [ -0.0009726900000000, 0.0002251600000000, 0.0015014100000000 ] - [ -0.0005482300000000, -0.0001989000000000, -0.0021221300000000 ] - [ 0.0005105500000000, -0.0001224100000000, -0.0018872300000000 ] - [ -0.0007283400000000, 0.0001570400000000, -0.0014393300000000 ] - [ -0.0019558600000000, 0.0007451300000000, -0.0005377900000000 ] - [ -0.0021539100000000, 0.0007749600000000, -0.0022876600000000 ] - [ 0.0000710700000000, 0.0005221300000000, -0.0006849000000000 ] - [ -0.0009490700000000, -0.0008985800000000, -0.0008711000000000 ] - [ -0.0000792000000000, 0.0001721000000000, -0.0013177200000000 ] - [ -0.0015863600000000, 0.0001251300000000, -0.0005150800000000 ] - [ 0.0005488500000000, -0.0004256500000000, -0.0005689600000000 ] - [ -0.0009452900000000, -0.0003813100000000, -0.0006749300000000 ] - [ -0.0008858200000000, 0.0000749300000000, -0.0010296000000000 ] - [ 0.0029877400000000, -0.0002304500000000, 0.0003141000000000 ] - [ -0.0013336500000000, 0.0000258800000000, -0.0008856900000000 ] - [ 0.0081539700000000, 0.0006805000000000, -0.0013497800000000 ] - [ -0.0010693900000000, 0.0007783100000000, -0.0020382400000000 ] - [ -0.0015240000000000, 0.0021454000000000, -0.0056842700000000 ] - [ 0.0029000900000000, 0.0038131800000000, -0.0052789500000000 ] - [ -0.0021253700000000, -0.0005912500000000, -0.0007454900000000 ] - [ 0.0082266800000000, -0.0003426500000000, -0.0013018400000000 ] - [ 0.0020837300000000, 0.0002195500000000, 0.0002805800000000 ] - [ -0.0007429100000000, 0.0003131200000000, -0.0024216100000000 ] - [ -0.0010646700000000, 0.0005631200000000, -0.0007169600000000 ] - [ -0.0024478900000000, -0.0008867100000000, -0.0008617000000000 ] - [ 0.0009342300000000, 0.0006592700000000, -0.0011067700000000 ] - [ 0.0024914000000000, -0.0033653000000000, -0.0048670900000000 ] - [ 0.0105461100000000, 0.0075197100000000, -0.0005271800000000 ] - [ 0.0114950700000000, -0.0080807100000000, -0.0004977400000000 ] - [ -0.0011582200000000, -0.0022720100000000, -0.0063699000000000 ] - [ -0.0020557300000000, -0.0007908000000000, -0.0017585700000000 ] - [ -0.0000783500000000, 0.0011790600000000, 0.0023164000000000 ] - [ 0.0011755500000000, 0.0008966300000000, -0.0001475200000000 ] - [ -0.0003028100000000, 0.0007095000000000, 0.0026259700000000 ] - [ 0.0179648700000000, -0.0133627200000000, -0.0039756600000000 ] - [ 0.0001209500000000, -0.0005130100000000, 0.0016167500000000 ] - [ 0.0007336200000000, -0.0004960400000000, 0.0010634200000000 ] - [ 0.0031977000000000, 0.0007271200000000, 0.0025934300000000 ] - [ -0.0001260900000000, -0.0004010700000000, 0.0044030500000000 ] - [ 0.0095567400000000, -0.0029424300000000, 0.0008558100000000 ] - [ 0.0003251900000000, 0.0005021500000000, 0.0009745900000000 ] - [ 0.0025220100000000, 0.0015509600000000, 0.0031682700000000 ] - [ -0.0009273800000000, 0.0006458700000000, 0.0046829600000000 ] - [ -0.0001982200000000, 0.0000153800000000, -0.0002502100000000 ] - [ 0.0028180400000000, -0.0016009900000000, 0.0025726800000000 ] - [ -0.0017821600000000, -0.0005885600000000, -0.0001563500000000 ] - [ -0.0005967600000000, -0.0005983800000000, 0.0024015700000000 ] - [ -0.0009962800000000, -0.0001517700000000, 0.0006544500000000 ] - [ -0.0009402300000000, -0.0002214000000000, 0.0001065400000000 ] - [ 0.0087283800000000, 0.0022274400000000, 0.0009347000000000 ] - [ -0.0018160600000000, 0.0008739200000000, -0.0003186500000000 ] - [ -0.0011006900000000, -0.0000238500000000, -0.0002694800000000 ] - [ -0.0003198400000000, -0.0002413200000000, 0.0016421400000000 ] - [ 0.0023956100000000, -0.0013654900000000, 0.0031355000000000 ] - [ 0.0178011100000000, 0.0138277600000000, -0.0046085500000000 ] - [ 0.0007060100000000, -0.0002696700000000, 0.0004285800000000 ] - [ -0.0013418300000000, 0.0006741100000000, 0.0005291300000000 ] - [ -0.0021686200000000, -0.0003850000000000, 0.0004351400000000 ] - [ -0.0014538100000000, 0.0002039500000000, 0.0002678300000000 ] - [ -0.0006521700000000, 0.0000214900000000, -0.0000522200000000 ] - [ 0.0002244000000000, 0.0004989400000000, 0.0021473300000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0003957800000000, 0.0000000000000000 ] - [ -0.0004190400000000, -0.0000667500000000, -0.0002840800000000 ] - [ -0.0001318200000000, 0.0003730000000000, -0.0009039500000000 ] - [ -0.0002468200000000, 0.0000141900000000, 0.0002200800000000 ] - [ 0.0000000000000000, -0.1270035300000000, 0.0000000000000000 ] - [ 0.0001318200000000, 0.0003730000000000, 0.0009039500000000 ] - [ 0.0004190400000000, -0.0000667500000000, 0.0002840800000000 ] - [ 0.0002468200000000, 0.0000141900000000, -0.0002200800000000 ] - [ 0.0000000000000000, 0.0003058600000000, 0.0000000000000000 ] - [ 0.0001648000000000, 0.0002721000000000, -0.0001020400000000 ] - [ -0.0004310400000000, 0.0002846100000000, -0.0006048900000000 ] - [ -0.0009958900000000, 0.0138734900000000, -0.0028482400000000 ] - [ 0.0000000000000000, -0.0002131100000000, 0.0000000000000000 ] - [ 0.0004310400000000, 0.0002846100000000, 0.0006048900000000 ] - [ -0.0001648000000000, 0.0002721000000000, 0.0001020400000000 ] - [ 0.0009958900000000, 0.0138734900000000, 0.0028482400000000 ] - [ 0.0002519300000000, -0.0002512300000000, 0.0000299300000000 ] - [ -0.0002519300000000, -0.0002512300000000, -0.0000299300000000 ] - [ 0.0001586000000000, -0.0000812000000000, 0.0002918400000000 ] - [ -0.0001586000000000, -0.0000812000000000, -0.0002918400000000 ] - [ 0.0001962100000000, -0.0007259700000000, 0.0005680900000000 ] - [ -0.0005511500000000, 0.0000534600000000, -0.0002071900000000 ] - [ 0.0004617600000000, 0.0001070400000000, 0.0004387200000000 ] - [ 0.0005511500000000, 0.0000534600000000, 0.0002071900000000 ] - [ -0.0006403800000000, 0.0005934400000000, 0.0001275700000000 ] - [ -0.0001962100000000, -0.0007259700000000, -0.0005680900000000 ] - [ 0.0022194700000000, -0.0097700400000000, -0.0043243900000000 ] - [ 0.0006403800000000, 0.0005934400000000, -0.0001275700000000 ] - [ -0.0004617600000000, 0.0001070400000000, -0.0004387200000000 ] - [ -0.0022194700000000, -0.0097700400000000, 0.0043243900000000 ] - [ 0.0003024500000000, -0.0006086700000000, 0.0003157300000000 ] - [ 0.0000429500000000, -0.0002213500000000, -0.0008241700000000 ] - [ 0.0001829400000000, -0.0018503000000000, -0.0019129900000000 ] - [ -0.0000429500000000, -0.0002213500000000, 0.0008241700000000 ] - [ -0.0075229300000000, 0.0391372100000000, 0.0091631000000000 ] - [ -0.0003024500000000, -0.0006086700000000, -0.0003157300000000 ] - [ 0.0004936700000000, -0.0001936400000000, 0.0001688000000000 ] - [ 0.0075229300000000, 0.0391372100000000, -0.0091631000000000 ] - [ -0.0001829400000000, -0.0018503000000000, 0.0019129900000000 ] - [ -0.0004936700000000, -0.0001936400000000, -0.0001688000000000 ] - [ 0.0000975200000000, 0.0003205900000000, -0.0000202500000000 ] - [ -0.0002169000000000, -0.0004164300000000, 0.0002107000000000 ] - [ 0.0002169000000000, -0.0004164300000000, -0.0002107000000000 ] - [ 0.0001576800000000, -0.0002081600000000, 0.0002412300000000 ] - [ -0.0001576800000000, -0.0002081600000000, -0.0002412300000000 ] - [ -0.0000975200000000, 0.0003205900000000, 0.0000202500000000 ] - [ 0.0000033100000000, 0.0000389700000000, -0.0000335000000000 ] - [ 0.0003978600000000, -0.0010430100000000, -0.0000572700000000 ] - [ -0.0003978600000000, -0.0010430100000000, 0.0000572700000000 ] - [ -0.0005543400000000, -0.0013552000000000, 0.0014187000000000 ] - [ 0.0005543400000000, -0.0013552000000000, -0.0014187000000000 ] - [ -0.0000033100000000, 0.0000389700000000, 0.0000335000000000 ] - [ 0.0002522000000000, 0.0002813800000000, -0.0001076700000000 ] - [ 0.0003278400000000, 0.0002164800000000, -0.0007192100000000 ] - [ -0.0000078900000000, 0.0002723500000000, 0.0005353900000000 ] - [ 0.0002073400000000, -0.0000565600000000, 0.0001645800000000 ] - [ -0.0001816500000000, 0.0000499100000000, -0.0003381600000000 ] - [ -0.0003278400000000, 0.0002164800000000, 0.0007192100000000 ] - [ 0.0001276500000000, -0.0004489900000000, 0.0000189100000000 ] - [ 0.0003325700000000, 0.0001190300000000, -0.0000683300000000 ] - [ 0.0002964200000000, -0.0002251400000000, 0.0000830200000000 ] - [ -0.0002325500000000, 0.0001585500000000, 0.0002982200000000 ] - [ 0.0001291100000000, 0.0001072100000000, -0.0000108400000000 ] - [ -0.0003325700000000, 0.0001190300000000, 0.0000683300000000 ] - [ 0.0007357600000000, 0.0001760200000000, -0.0004336800000000 ] - [ -0.0001276500000000, -0.0004489900000000, -0.0000189100000000 ] - [ 0.0020983000000000, 0.0094164200000000, -0.0006679500000000 ] - [ -0.0002522000000000, 0.0002813800000000, 0.0001076700000000 ] - [ 0.0010077200000000, 0.0004900600000000, -0.0002196800000000 ] - [ 0.0001945800000000, 0.0017059200000000, 0.0006312000000000 ] - [ -0.0002964200000000, -0.0002251400000000, -0.0000830200000000 ] - [ -0.0020983000000000, 0.0094164200000000, 0.0006679500000000 ] - [ -0.0007357600000000, 0.0001760200000000, 0.0004336800000000 ] - [ 0.0000078900000000, 0.0002723500000000, -0.0005353900000000 ] - [ -0.0001291100000000, 0.0001072100000000, 0.0000108400000000 ] - [ -0.0002073400000000, -0.0000565600000000, -0.0001645800000000 ] - [ 0.0002325500000000, 0.0001585500000000, -0.0002982200000000 ] - [ -0.0001945800000000, 0.0017059200000000, -0.0006312000000000 ] - [ -0.0009087600000000, 0.0086758300000000, 0.0082250600000000 ] - [ 0.0009087600000000, 0.0086758300000000, -0.0082250600000000 ] - [ -0.0010077200000000, 0.0004900600000000, 0.0002196800000000 ] - [ 0.0001816500000000, 0.0000499100000000, 0.0003381600000000 ] - [ 0.0001343600000000, 0.0003029700000000, -0.0000756700000000 ] - [ -0.0000406700000000, 0.0001263500000000, -0.0004411400000000 ] - [ 0.0001403400000000, 0.0001513400000000, 0.0005097800000000 ] - [ -0.0047192000000000, 0.0068966500000000, 0.0102807900000000 ] - [ -0.0000988100000000, 0.0000305900000000, -0.0002313900000000 ] - [ 0.0000406700000000, 0.0001263500000000, 0.0004411400000000 ] - [ 0.0010301600000000, -0.0000975400000000, -0.0004848000000000 ] - [ 0.0004074200000000, -0.0001353900000000, 0.0006279400000000 ] - [ 0.0045742400000000, -0.0032234600000000, 0.0018407300000000 ] - [ 0.0000379000000000, 0.0001148700000000, 0.0003158800000000 ] - [ -0.0004079100000000, -0.0002749200000000, -0.0010719600000000 ] - [ -0.0004074200000000, -0.0001353900000000, -0.0006279400000000 ] - [ 0.0003391100000000, -0.0000217000000000, 0.0000147100000000 ] - [ -0.0010301600000000, -0.0000975400000000, 0.0004848000000000 ] - [ 0.0001130700000000, 0.0001815900000000, 0.0001229000000000 ] - [ -0.0001343600000000, 0.0003029700000000, 0.0000756700000000 ] - [ 0.0000096400000000, -0.0000949900000000, 0.0004770300000000 ] - [ 0.0001160700000000, 0.0002246100000000, -0.0002463700000000 ] - [ -0.0045742400000000, -0.0032234600000000, -0.0018407300000000 ] - [ -0.0001130700000000, 0.0001815900000000, -0.0001229000000000 ] - [ -0.0003391100000000, -0.0000217000000000, -0.0000147100000000 ] - [ -0.0001403400000000, 0.0001513400000000, -0.0005097800000000 ] - [ 0.0004079100000000, -0.0002749200000000, 0.0010719600000000 ] - [ 0.0047192000000000, 0.0068966500000000, -0.0102807900000000 ] - [ -0.0000379000000000, 0.0001148700000000, -0.0003158800000000 ] - [ -0.0001160700000000, 0.0002246100000000, 0.0002463700000000 ] - [ -0.0003696200000000, -0.0001381100000000, 0.0001566700000000 ] - [ 0.0003696200000000, -0.0001381100000000, -0.0001566700000000 ] - [ -0.0000096400000000, -0.0000949900000000, -0.0004770300000000 ] - [ 0.0000988100000000, 0.0000305900000000, 0.0002313900000000 ]- atom: 5 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0004695300000000, 0.0000000000000000 ] - [ -0.0001020600000000, -0.0000778100000000, -0.0004230400000000 ] - [ -0.0001052300000000, 0.0002231200000000, -0.0003133600000000 ] - [ 0.0000134700000000, 0.0000525700000000, 0.0002080500000000 ] - [ 0.0000000000000000, 0.1265156400000000, 0.0000000000000000 ] - [ 0.0001052300000000, 0.0002231200000000, 0.0003133600000000 ] - [ 0.0001020600000000, -0.0000778100000000, 0.0004230400000000 ] - [ -0.0000134700000000, 0.0000525700000000, -0.0002080500000000 ] - [ 0.0000000000000000, 0.0005599100000000, 0.0000000000000000 ] - [ -0.0006945700000000, -0.0004168100000000, -0.0006062300000000 ] - [ 0.0001986200000000, 0.0003155100000000, -0.0006218700000000 ] - [ 0.0007329700000000, -0.0138261100000000, 0.0030629500000000 ] - [ 0.0000000000000000, -0.0002392300000000, 0.0000000000000000 ] - [ -0.0001986200000000, 0.0003155100000000, 0.0006218700000000 ] - [ 0.0006945700000000, -0.0004168100000000, 0.0006062300000000 ] - [ -0.0007329700000000, -0.0138261100000000, -0.0030629500000000 ] - [ 0.0002402800000000, -0.0001877700000000, 0.0000669100000000 ] - [ -0.0002402800000000, -0.0001877700000000, -0.0000669100000000 ] - [ 0.0003313900000000, -0.0003579400000000, -0.0001969800000000 ] - [ -0.0003313900000000, -0.0003579400000000, 0.0001969800000000 ] - [ -0.0003966800000000, -0.0004473900000000, 0.0001861200000000 ] - [ -0.0000682400000000, -0.0000073000000000, -0.0003648100000000 ] - [ 0.0002327500000000, 0.0000968600000000, 0.0005803200000000 ] - [ 0.0000682400000000, -0.0000073000000000, 0.0003648100000000 ] - [ -0.0004309400000000, 0.0005533100000000, -0.0000980200000000 ] - [ 0.0003966800000000, -0.0004473900000000, -0.0001861200000000 ] - [ -0.0016469000000000, 0.0094443500000000, 0.0042678000000000 ] - [ 0.0004309400000000, 0.0005533100000000, 0.0000980200000000 ] - [ -0.0002327500000000, 0.0000968600000000, -0.0005803200000000 ] - [ 0.0016469000000000, 0.0094443500000000, -0.0042678000000000 ] - [ -0.0004962000000000, -0.0005687200000000, 0.0004423000000000 ] - [ -0.0006728600000000, 0.0002677600000000, 0.0002641400000000 ] - [ 0.0005187800000000, 0.0020495000000000, 0.0029354400000000 ] - [ 0.0006728600000000, 0.0002677600000000, -0.0002641400000000 ] - [ 0.0068569100000000, -0.0379167200000000, -0.0092496200000000 ] - [ 0.0004962000000000, -0.0005687200000000, -0.0004423000000000 ] - [ 0.0001682100000000, -0.0002803300000000, -0.0002248200000000 ] - [ -0.0068569100000000, -0.0379167200000000, 0.0092496200000000 ] - [ -0.0005187800000000, 0.0020495000000000, -0.0029354400000000 ] - [ -0.0001682100000000, -0.0002803300000000, 0.0002248200000000 ] - [ -0.0003989900000000, -0.0001799700000000, -0.0001314800000000 ] - [ -0.0000312500000000, -0.0003719000000000, 0.0000886900000000 ] - [ 0.0000312500000000, -0.0003719000000000, -0.0000886900000000 ] - [ 0.0002469600000000, -0.0002227900000000, 0.0000719900000000 ] - [ -0.0002469600000000, -0.0002227900000000, -0.0000719900000000 ] - [ 0.0003989900000000, -0.0001799700000000, 0.0001314800000000 ] - [ -0.0003011600000000, 0.0001016900000000, -0.0001194200000000 ] - [ -0.0006423200000000, 0.0002502600000000, 0.0003595600000000 ] - [ 0.0006423200000000, 0.0002502600000000, -0.0003595600000000 ] - [ 0.0009479100000000, 0.0009179200000000, -0.0011065800000000 ] - [ -0.0009479100000000, 0.0009179200000000, 0.0011065800000000 ] - [ 0.0003011600000000, 0.0001016900000000, 0.0001194200000000 ] - [ 0.0002653500000000, 0.0003004300000000, 0.0000219700000000 ] - [ 0.0001107800000000, 0.0001834500000000, -0.0004870700000000 ] - [ 0.0000297200000000, 0.0001930900000000, 0.0004454900000000 ] - [ 0.0002875700000000, -0.0000839100000000, 0.0001567500000000 ] - [ 0.0000854200000000, -0.0000662900000000, -0.0001919200000000 ] - [ -0.0001107800000000, 0.0001834500000000, 0.0004870700000000 ] - [ 0.0002615800000000, -0.0004239700000000, -0.0000031500000000 ] - [ 0.0004745700000000, 0.0001275600000000, -0.0002192100000000 ] - [ 0.0002391800000000, -0.0002420400000000, 0.0001511000000000 ] - [ -0.0001492600000000, 0.0000766600000000, 0.0002444500000000 ] - [ -0.0000148600000000, 0.0000744100000000, 0.0000527300000000 ] - [ -0.0004745700000000, 0.0001275600000000, 0.0002192100000000 ] - [ 0.0001610600000000, -0.0001738700000000, 0.0004519800000000 ] - [ -0.0002615800000000, -0.0004239700000000, 0.0000031500000000 ] - [ -0.0022165800000000, -0.0090594300000000, 0.0005893400000000 ] - [ -0.0002653500000000, 0.0003004300000000, -0.0000219700000000 ] - [ -0.0013844900000000, -0.0006316900000000, 0.0009263900000000 ] - [ 0.0001894200000000, -0.0012764400000000, -0.0010586600000000 ] - [ -0.0002391800000000, -0.0002420400000000, -0.0001511000000000 ] - [ 0.0022165800000000, -0.0090594300000000, -0.0005893400000000 ] - [ -0.0001610600000000, -0.0001738700000000, -0.0004519800000000 ] - [ -0.0000297200000000, 0.0001930900000000, -0.0004454900000000 ] - [ 0.0000148600000000, 0.0000744100000000, -0.0000527300000000 ] - [ -0.0002875700000000, -0.0000839100000000, -0.0001567500000000 ] - [ 0.0001492600000000, 0.0000766600000000, -0.0002444500000000 ] - [ -0.0001894200000000, -0.0012764400000000, 0.0010586600000000 ] - [ -0.0002504300000000, -0.0095902400000000, -0.0084669200000000 ] - [ 0.0002504300000000, -0.0095902400000000, 0.0084669200000000 ] - [ 0.0013844900000000, -0.0006316900000000, -0.0009263900000000 ] - [ -0.0000854200000000, -0.0000662900000000, 0.0001919200000000 ] - [ 0.0003835100000000, 0.0002778500000000, -0.0000119000000000 ] - [ 0.0004848800000000, 0.0002750700000000, -0.0007689500000000 ] - [ -0.0001197100000000, 0.0003158900000000, 0.0004721900000000 ] - [ 0.0045375300000000, -0.0062251500000000, -0.0094732700000000 ] - [ -0.0000006100000000, -0.0000457000000000, -0.0003010800000000 ] - [ -0.0004848800000000, 0.0002750700000000, 0.0007689500000000 ] - [ -0.0006451300000000, -0.0007726300000000, 0.0004945300000000 ] - [ 0.0003987000000000, 0.0003829300000000, -0.0009186000000000 ] - [ -0.0038347100000000, 0.0024704800000000, -0.0017606400000000 ] - [ -0.0004246200000000, 0.0001202300000000, 0.0002267000000000 ] - [ 0.0005238500000000, 0.0004552700000000, 0.0011125500000000 ] - [ -0.0003987000000000, 0.0003829300000000, 0.0009186000000000 ] - [ 0.0005676300000000, 0.0000168300000000, 0.0000017700000000 ] - [ 0.0006451300000000, -0.0007726300000000, -0.0004945300000000 ] - [ -0.0000864400000000, 0.0001059500000000, 0.0000381600000000 ] - [ -0.0003835100000000, 0.0002778500000000, 0.0000119000000000 ] - [ -0.0003562900000000, -0.0000313900000000, 0.0002342200000000 ] - [ 0.0002888600000000, 0.0002261800000000, -0.0001768100000000 ] - [ 0.0038347100000000, 0.0024704800000000, 0.0017606400000000 ] - [ 0.0000864400000000, 0.0001059500000000, -0.0000381600000000 ] - [ -0.0005676300000000, 0.0000168300000000, -0.0000017700000000 ] - [ 0.0001197100000000, 0.0003158900000000, -0.0004721900000000 ] - [ -0.0005238500000000, 0.0004552700000000, -0.0011125500000000 ] - [ -0.0045375300000000, -0.0062251500000000, 0.0094732700000000 ] - [ 0.0004246200000000, 0.0001202300000000, -0.0002267000000000 ] - [ -0.0002888600000000, 0.0002261800000000, 0.0001768100000000 ] - [ -0.0003459300000000, -0.0000437300000000, 0.0000052800000000 ] - [ 0.0003459300000000, -0.0000437300000000, -0.0000052800000000 ] - [ 0.0003562900000000, -0.0000313900000000, -0.0002342200000000 ] - [ 0.0000006100000000, -0.0000457000000000, 0.0003010800000000 ]- atom: 5 displacement: [ -0.0057565208649526, 0.0000000000000000, 0.0081769473235044 ] forces: - [ 0.0012714500000000, 0.0004342800000000, -0.0000088800000000 ] - [ 0.0012431100000000, -0.0003603500000000, 0.0002208600000000 ] - [ 0.0028909500000000, -0.0002251300000000, 0.0004151200000000 ] - [ -0.0014842600000000, 0.0000400100000000, 0.0008178700000000 ] - [ 0.0676784300000000, -0.0005357100000000, -0.0958444900000000 ] - [ 0.0031300800000000, 0.0008217800000000, 0.0016268900000000 ] - [ 0.0017582100000000, 0.0002155400000000, 0.0009288400000000 ] - [ -0.0012523700000000, 0.0000276100000000, 0.0003972600000000 ] - [ -0.0030962900000000, 0.0004354400000000, 0.0056211200000000 ] - [ -0.0016901300000000, 0.0005604400000000, 0.0051378000000000 ] - [ -0.0021951300000000, 0.0002341100000000, 0.0021385200000000 ] - [ 0.0107739200000000, -0.0023105600000000, 0.0127969900000000 ] - [ -0.0019253000000000, -0.0002244400000000, 0.0002308300000000 ] - [ -0.0019642800000000, 0.0003656200000000, 0.0033647400000000 ] - [ -0.0011641000000000, -0.0007065400000000, 0.0058530000000000 ] - [ 0.0110929600000000, 0.0023819500000000, 0.0123961000000000 ] - [ -0.0001132400000000, 0.0005482800000000, -0.0011588400000000 ] - [ -0.0006110700000000, -0.0009929400000000, -0.0012551300000000 ] - [ -0.0006381300000000, -0.0002465300000000, 0.0001099800000000 ] - [ -0.0011345100000000, -0.0001939300000000, 0.0000155300000000 ] - [ 0.0027460700000000, -0.0013910400000000, 0.0002979100000000 ] - [ -0.0004527600000000, 0.0004171500000000, 0.0015286100000000 ] - [ 0.0003943500000000, 0.0000585200000000, -0.0001239500000000 ] - [ 0.0001646900000000, -0.0003700300000000, 0.0021001400000000 ] - [ -0.0026608000000000, 0.0003101300000000, -0.0001088400000000 ] - [ 0.0029529100000000, 0.0002165300000000, -0.0004534200000000 ] - [ 0.0111146800000000, -0.0075598800000000, -0.0022315200000000 ] - [ -0.0015891200000000, 0.0008369200000000, -0.0001439400000000 ] - [ -0.0002989400000000, 0.0001455100000000, -0.0011439800000000 ] - [ 0.0104792600000000, 0.0070738700000000, -0.0020783100000000 ] - [ -0.0035757800000000, -0.0000736000000000, 0.0034880800000000 ] - [ 0.0012928900000000, 0.0008274700000000, 0.0034107500000000 ] - [ -0.0044142600000000, 0.0005579900000000, 0.0109791200000000 ] - [ 0.0019334700000000, -0.0007820500000000, 0.0039808500000000 ] - [ -0.0165087900000000, 0.0009846400000000, -0.0212790900000000 ] - [ -0.0033817400000000, -0.0011059300000000, 0.0027405500000000 ] - [ -0.0016318800000000, -0.0000772400000000, 0.0007819400000000 ] - [ -0.0154689100000000, 0.0001229500000000, -0.0215307100000000 ] - [ -0.0050778000000000, -0.0003576100000000, 0.0099243800000000 ] - [ -0.0022939600000000, -0.0003955500000000, 0.0008392800000000 ] - [ -0.0013705800000000, -0.0004017500000000, 0.0008107600000000 ] - [ 0.0010357600000000, -0.0004746000000000, 0.0003727000000000 ] - [ 0.0012752000000000, -0.0003229500000000, 0.0000646100000000 ] - [ 0.0003993300000000, -0.0001008400000000, 0.0007680200000000 ] - [ -0.0000142100000000, -0.0003307100000000, 0.0004500800000000 ] - [ -0.0010576800000000, 0.0005565900000000, 0.0009742700000000 ] - [ 0.0010794600000000, 0.0001734700000000, -0.0012062200000000 ] - [ 0.0021924600000000, -0.0012875900000000, 0.0016885200000000 ] - [ 0.0024242900000000, 0.0004968400000000, 0.0013674200000000 ] - [ 0.0026874800000000, 0.0003040900000000, -0.0005634300000000 ] - [ 0.0022963000000000, -0.0007411100000000, -0.0009170500000000 ] - [ 0.0013893100000000, -0.0000203200000000, -0.0010387800000000 ] - [ -0.0007247500000000, 0.0004427400000000, 0.0000081500000000 ] - [ 0.0000139200000000, 0.0002021100000000, -0.0014103900000000 ] - [ -0.0010208500000000, 0.0004854000000000, 0.0005646000000000 ] - [ 0.0013230800000000, -0.0005012700000000, 0.0003918800000000 ] - [ -0.0014914800000000, 0.0002564900000000, -0.0007004900000000 ] - [ -0.0004195100000000, 0.0001971900000000, -0.0002100400000000 ] - [ 0.0002683600000000, -0.0003930100000000, -0.0000920700000000 ] - [ -0.0000854700000000, 0.0001947500000000, 0.0002383800000000 ] - [ 0.0011427500000000, -0.0003877100000000, 0.0002981900000000 ] - [ -0.0016904400000000, 0.0004047500000000, -0.0011357300000000 ] - [ 0.0002130200000000, 0.0001694700000000, -0.0001068200000000 ] - [ -0.0008945900000000, 0.0000522200000000, 0.0005297600000000 ] - [ -0.0010517100000000, 0.0012529100000000, -0.0033439300000000 ] - [ -0.0001171900000000, -0.0004809200000000, -0.0001078400000000 ] - [ -0.0085940500000000, -0.0050122500000000, 0.0099959500000000 ] - [ -0.0012467100000000, 0.0001359900000000, 0.0000901200000000 ] - [ -0.0030627700000000, -0.0000122500000000, -0.0008754100000000 ] - [ -0.0026808300000000, 0.0004337400000000, -0.0000778600000000 ] - [ 0.0006022100000000, -0.0000771100000000, 0.0000698200000000 ] - [ -0.0085045900000000, 0.0053852600000000, 0.0100528200000000 ] - [ -0.0019443200000000, -0.0012630100000000, -0.0033648500000000 ] - [ -0.0010363100000000, -0.0000164700000000, -0.0004159600000000 ] - [ 0.0000941300000000, 0.0000129100000000, -0.0001480700000000 ] - [ 0.0008306800000000, 0.0003609100000000, 0.0000674200000000 ] - [ -0.0013168800000000, -0.0001738000000000, -0.0016767100000000 ] - [ -0.0030737300000000, 0.0000166900000000, 0.0003171200000000 ] - [ -0.0114293800000000, -0.0037450000000000, 0.0194278400000000 ] - [ -0.0106247800000000, 0.0034804400000000, 0.0192834000000000 ] - [ -0.0027027900000000, -0.0001115800000000, -0.0015415300000000 ] - [ -0.0013954100000000, -0.0002722000000000, -0.0001713100000000 ] - [ 0.0014513100000000, -0.0005004200000000, -0.0023971700000000 ] - [ 0.0007349400000000, 0.0000208300000000, -0.0027723500000000 ] - [ 0.0013241400000000, -0.0003551300000000, -0.0017433200000000 ] - [ -0.0115561200000000, 0.0132452300000000, 0.0167362300000000 ] - [ 0.0017999400000000, 0.0003680800000000, -0.0013715700000000 ] - [ 0.0002914200000000, 0.0003810300000000, -0.0015672700000000 ] - [ 0.0002246900000000, -0.0009445900000000, -0.0030167100000000 ] - [ 0.0026950100000000, 0.0006672300000000, -0.0057946400000000 ] - [ -0.0043364200000000, 0.0024256400000000, 0.0114972000000000 ] - [ -0.0003958800000000, -0.0000142700000000, -0.0013562700000000 ] - [ 0.0011146000000000, -0.0001477600000000, -0.0040534000000000 ] - [ 0.0018871200000000, -0.0004187200000000, -0.0054991400000000 ] - [ 0.0008318300000000, 0.0005469600000000, -0.0007689400000000 ] - [ -0.0001602100000000, 0.0000650700000000, -0.0030226100000000 ] - [ 0.0011032800000000, 0.0006204900000000, -0.0000350900000000 ] - [ 0.0009304600000000, 0.0010806200000000, -0.0023173000000000 ] - [ 0.0009206300000000, 0.0002603100000000, -0.0002378900000000 ] - [ 0.0010526300000000, 0.0006148900000000, -0.0009147400000000 ] - [ -0.0054587800000000, -0.0033651700000000, 0.0119041500000000 ] - [ 0.0010710100000000, -0.0003372300000000, -0.0001950600000000 ] - [ -0.0000720600000000, -0.0005567600000000, -0.0007921900000000 ] - [ 0.0013084200000000, 0.0008243600000000, -0.0027225400000000 ] - [ 0.0009937400000000, 0.0003383300000000, -0.0040993900000000 ] - [ -0.0115168700000000, -0.0125477000000000, 0.0160636100000000 ] - [ -0.0000110500000000, 0.0002468300000000, -0.0018961300000000 ] - [ 0.0006493400000000, -0.0001605600000000, -0.0004939700000000 ] - [ 0.0006161900000000, 0.0000367400000000, -0.0003475700000000 ] - [ 0.0013311000000000, -0.0002159200000000, -0.0005138000000000 ] - [ 0.0012671700000000, -0.0003908700000000, -0.0009388200000000 ] - [ 0.0018978400000000, -0.0003836800000000, -0.0008425800000000 ]- atom: 17 displacement: [ 0.0099999987502926, 0.0000000000000000, -0.0000049994145799 ] forces: - [ -0.0009400500000000, 0.0004582900000000, -0.0002072400000000 ] - [ -0.0003762000000000, -0.0000551400000000, -0.0011062900000000 ] - [ -0.0000571300000000, 0.0002398900000000, -0.0002386800000000 ] - [ 0.0002583500000000, -0.0000833200000000, -0.0006037900000000 ] - [ 0.0006949500000000, -0.0002133100000000, 0.0000462100000000 ] - [ 0.0017758000000000, 0.0005515200000000, -0.0014557200000000 ] - [ 0.0001497500000000, -0.0001745300000000, 0.0019268900000000 ] - [ 0.0016572900000000, 0.0000711600000000, 0.0000339900000000 ] - [ 0.0000515400000000, 0.0003814500000000, 0.0001827600000000 ] - [ 0.0000292200000000, -0.0000633300000000, 0.0002212300000000 ] - [ -0.0002679000000000, 0.0003866200000000, -0.0010845500000000 ] - [ 0.0004155500000000, 0.0000526300000000, 0.0007263200000000 ] - [ 0.0009905300000000, -0.0003115100000000, -0.0003874600000000 ] - [ 0.0005466900000000, 0.0003826000000000, 0.0008896500000000 ] - [ 0.0004990900000000, -0.0000876900000000, 0.0002469100000000 ] - [ 0.0007792300000000, 0.0001276400000000, -0.0002333400000000 ] - [ -0.0263078900000000, 0.0074563900000000, -0.0111577400000000 ] - [ -0.0002115800000000, -0.0002169800000000, -0.0000385000000000 ] - [ 0.0002970500000000, -0.0001966600000000, 0.0000602400000000 ] - [ -0.0024963600000000, -0.0024538400000000, 0.0000255800000000 ] - [ -0.0029613600000000, -0.0008046600000000, 0.0000318700000000 ] - [ -0.0000518300000000, -0.0000396200000000, -0.0009103400000000 ] - [ 0.0006676100000000, 0.0005996700000000, 0.0026013300000000 ] - [ 0.0009186400000000, -0.0000524800000000, 0.0009991700000000 ] - [ 0.0000265800000000, 0.0005834400000000, -0.0002091500000000 ] - [ -0.0000086300000000, -0.0006246100000000, -0.0003328500000000 ] - [ 0.0018094300000000, -0.0011936100000000, 0.0003621200000000 ] - [ 0.0035217900000000, 0.0013186800000000, -0.0027544000000000 ] - [ -0.0002764400000000, 0.0001436200000000, -0.0007979300000000 ] - [ -0.0000006300000000, -0.0002353700000000, 0.0003002400000000 ] - [ 0.0003138200000000, -0.0006444900000000, 0.0005474100000000 ] - [ 0.0000036400000000, 0.0001218800000000, 0.0002268900000000 ] - [ 0.0006184300000000, 0.0001267100000000, 0.0004959800000000 ] - [ 0.0007673000000000, 0.0001357100000000, -0.0000650200000000 ] - [ 0.0006332300000000, 0.0011225700000000, 0.0001075300000000 ] - [ -0.0003872300000000, -0.0006877300000000, -0.0002948200000000 ] - [ 0.0008830100000000, -0.0002313200000000, 0.0001850700000000 ] - [ 0.0009604300000000, 0.0005318100000000, 0.0000324400000000 ] - [ 0.0000123200000000, 0.0000626100000000, 0.0004165300000000 ] - [ -0.0006099800000000, 0.0000354300000000, -0.0013784600000000 ] - [ -0.0002074100000000, 0.0000742700000000, -0.0001091100000000 ] - [ 0.0052296700000000, -0.0066460100000000, -0.0051841800000000 ] - [ 0.0000020500000000, -0.0004341200000000, -0.0001362500000000 ] - [ 0.0088243100000000, 0.0070549200000000, 0.0073328900000000 ] - [ -0.0003140900000000, -0.0001932200000000, -0.0000223900000000 ] - [ -0.0010191800000000, 0.0022477100000000, -0.0000429500000000 ] - [ 0.0002276900000000, 0.0001913700000000, -0.0001431500000000 ] - [ -0.0002185400000000, -0.0003718000000000, 0.0001450600000000 ] - [ 0.0114728200000000, -0.0097794100000000, 0.0109023100000000 ] - [ 0.0000775100000000, -0.0002516200000000, 0.0001979600000000 ] - [ -0.0001928600000000, 0.0002585400000000, -0.0007910900000000 ] - [ 0.0000122100000000, 0.0000872900000000, 0.0000673100000000 ] - [ 0.0005844900000000, -0.0001077600000000, 0.0005622700000000 ] - [ -0.0000044900000000, 0.0003178100000000, 0.0000313000000000 ] - [ 0.0001398800000000, 0.0002669700000000, 0.0003508300000000 ] - [ -0.0009353800000000, -0.0000415800000000, 0.0002561900000000 ] - [ 0.0012453900000000, -0.0001328200000000, -0.0003658000000000 ] - [ -0.0002781500000000, 0.0002409400000000, 0.0002386200000000 ] - [ -0.0004249200000000, -0.0003210900000000, -0.0007949600000000 ] - [ 0.0010933900000000, 0.0000624800000000, -0.0011764400000000 ] - [ -0.0000120500000000, -0.0001983200000000, 0.0003307100000000 ] - [ -0.0004375300000000, 0.0001547300000000, -0.0000973200000000 ] - [ -0.0000401300000000, 0.0000826900000000, 0.0002924800000000 ] - [ -0.0003794100000000, 0.0001924700000000, 0.0003647700000000 ] - [ 0.0000801700000000, -0.0002346500000000, 0.0000807500000000 ] - [ -0.0002073600000000, -0.0004447600000000, 0.0002149700000000 ] - [ -0.0002779100000000, 0.0000251000000000, -0.0000764100000000 ] - [ -0.0001478300000000, 0.0002916500000000, -0.0001368900000000 ] - [ -0.0002518000000000, 0.0000429600000000, 0.0001374300000000 ] - [ -0.0003191000000000, 0.0004348500000000, -0.0002119400000000 ] - [ -0.0001738800000000, 0.0002474400000000, 0.0006533400000000 ] - [ 0.0003872800000000, -0.0001448000000000, -0.0001381300000000 ] - [ -0.0006266000000000, -0.0001410100000000, -0.0003113900000000 ] - [ 0.0003539900000000, 0.0010515700000000, -0.0000255000000000 ] - [ -0.0006568200000000, -0.0000659600000000, -0.0006570200000000 ] - [ -0.0005500700000000, -0.0002452800000000, -0.0000304100000000 ] - [ 0.0000367100000000, -0.0001397800000000, 0.0001156800000000 ] - [ -0.0003533100000000, 0.0002350500000000, 0.0000516500000000 ] - [ -0.0006050900000000, -0.0000984600000000, 0.0000080100000000 ] - [ -0.0001153000000000, 0.0000025900000000, -0.0001305100000000 ] - [ 0.0000101200000000, -0.0005552500000000, -0.0000129700000000 ] - [ 0.0002998700000000, -0.0000397500000000, 0.0003863900000000 ] - [ 0.0001245500000000, 0.0002866100000000, -0.0001763800000000 ] - [ 0.0001126400000000, 0.0001655800000000, -0.0008392800000000 ] - [ 0.0000541500000000, 0.0001925900000000, 0.0004732000000000 ] - [ -0.0000294800000000, 0.0000356000000000, 0.0000932100000000 ] - [ -0.0002742200000000, 0.0000608700000000, -0.0003770000000000 ] - [ -0.0004285100000000, 0.0002548200000000, 0.0008834400000000 ] - [ 0.0000047000000000, -0.0004956800000000, 0.0000063200000000 ] - [ 0.0002832400000000, 0.0001135800000000, -0.0000638900000000 ] - [ 0.0001861800000000, -0.0006649800000000, 0.0000721700000000 ] - [ -0.0002473800000000, 0.0001021000000000, 0.0004662300000000 ] - [ -0.0001189400000000, -0.0000077400000000, -0.0002644700000000 ] - [ -0.0003484600000000, 0.0000845800000000, -0.0002504500000000 ] - [ 0.0000584700000000, 0.0001274700000000, -0.0003447500000000 ] - [ -0.0004552400000000, -0.0003041800000000, -0.0003377900000000 ] - [ 0.0000712100000000, 0.0000571800000000, 0.0004307400000000 ] - [ -0.0001865100000000, 0.0003309500000000, 0.0000528800000000 ] - [ 0.0000362000000000, -0.0004411200000000, 0.0010681500000000 ] - [ -0.0001404000000000, 0.0001512800000000, -0.0003183700000000 ] - [ -0.0005181600000000, -0.0002539100000000, -0.0001406000000000 ] - [ -0.0005217500000000, 0.0003936700000000, -0.0001802400000000 ] - [ -0.0004847200000000, 0.0002049600000000, 0.0003653200000000 ] - [ -0.0001458900000000, 0.0001748500000000, -0.0005913800000000 ] - [ -0.0002539300000000, 0.0001511100000000, 0.0000240400000000 ] - [ -0.0006760700000000, 0.0001618200000000, -0.0003513100000000 ] - [ -0.0001737700000000, 0.0000354300000000, -0.0006293400000000 ] - [ -0.0002917100000000, 0.0004769400000000, 0.0008247800000000 ] - [ -0.0011961200000000, -0.0006988400000000, 0.0009276000000000 ] - [ -0.0000988800000000, -0.0000618600000000, 0.0000486800000000 ] - [ -0.0001056800000000, -0.0001585100000000, -0.0005957400000000 ] - [ 0.0001080900000000, 0.0000287900000000, 0.0001880000000000 ]- atom: 17 displacement: [ -0.0099999987502926, 0.0000000000000000, 0.0000049994145799 ] forces: - [ 0.0009468300000000, 0.0004094100000000, 0.0002162700000000 ] - [ -0.0001470900000000, -0.0000862000000000, 0.0004082900000000 ] - [ -0.0001768100000000, 0.0003608200000000, -0.0009873600000000 ] - [ -0.0004931100000000, 0.0001542700000000, 0.0010322000000000 ] - [ -0.0006885700000000, -0.0002270000000000, -0.0000412600000000 ] - [ -0.0015626800000000, 0.0000449800000000, 0.0026934500000000 ] - [ 0.0003773000000000, 0.0000339700000000, -0.0012237300000000 ] - [ -0.0014299700000000, 0.0000009500000000, -0.0004566800000000 ] - [ -0.0000525200000000, 0.0004866700000000, -0.0001835900000000 ] - [ -0.0005505900000000, -0.0000796900000000, -0.0009269900000000 ] - [ 0.0000325700000000, 0.0002145000000000, -0.0001431800000000 ] - [ -0.0006473800000000, 0.0000140600000000, -0.0002974300000000 ] - [ -0.0009939800000000, -0.0001382400000000, 0.0003885200000000 ] - [ -0.0003117600000000, 0.0002185200000000, 0.0003382600000000 ] - [ 0.0000207900000000, -0.0000539600000000, 0.0004564100000000 ] - [ -0.0005438100000000, -0.0000625500000000, -0.0001959400000000 ] - [ 0.0267091900000000, -0.0086757800000000, 0.0114343400000000 ] - [ -0.0002785100000000, -0.0002581900000000, -0.0000565300000000 ] - [ 0.0001930600000000, -0.0002106100000000, 0.0000372100000000 ] - [ 0.0020038600000000, 0.0019732600000000, -0.0001261400000000 ] - [ 0.0027785600000000, -0.0003606500000000, 0.0007384600000000 ] - [ -0.0005745100000000, 0.0000894700000000, 0.0003420500000000 ] - [ 0.0000346100000000, -0.0003951200000000, -0.0015969700000000 ] - [ -0.0002955100000000, 0.0001020300000000, -0.0004290400000000 ] - [ -0.0010992900000000, 0.0005656600000000, 0.0002467100000000 ] - [ 0.0002051300000000, -0.0005501500000000, -0.0004211800000000 ] - [ -0.0011823100000000, 0.0007397000000000, -0.0004394500000000 ] - [ -0.0024388400000000, -0.0001819700000000, 0.0027282900000000 ] - [ -0.0004196800000000, 0.0000614700000000, -0.0002155100000000 ] - [ -0.0006612900000000, -0.0002369100000000, -0.0002406700000000 ] - [ -0.0005069600000000, -0.0005311400000000, 0.0002092500000000 ] - [ -0.0006271400000000, -0.0000721700000000, -0.0007968500000000 ] - [ 0.0000780900000000, 0.0000783400000000, 0.0005192100000000 ] - [ -0.0001483100000000, -0.0000866100000000, 0.0006331200000000 ] - [ -0.0017266300000000, 0.0000075000000000, -0.0000695600000000 ] - [ 0.0005799400000000, -0.0004876600000000, -0.0004636300000000 ] - [ -0.0002193800000000, -0.0002407900000000, -0.0002417600000000 ] - [ 0.0001130800000000, 0.0006154600000000, -0.0000668500000000 ] - [ -0.0007115600000000, 0.0001452800000000, -0.0014322600000000 ] - [ -0.0000482300000000, -0.0005095000000000, 0.0014366400000000 ] - [ -0.0000963400000000, 0.0000781300000000, -0.0000615500000000 ] - [ -0.0054096900000000, 0.0056036800000000, 0.0052800000000000 ] - [ 0.0002336300000000, -0.0003642400000000, -0.0001672500000000 ] - [ -0.0080287000000000, -0.0070379900000000, -0.0065728900000000 ] - [ -0.0001042700000000, -0.0002320400000000, -0.0003029600000000 ] - [ 0.0013396300000000, -0.0021517300000000, 0.0002654000000000 ] - [ -0.0005318600000000, -0.0000368300000000, -0.0000254200000000 ] - [ -0.0000169900000000, -0.0004165600000000, 0.0001687600000000 ] - [ -0.0115324500000000, 0.0094457500000000, -0.0117275900000000 ] - [ 0.0003335500000000, -0.0001788800000000, 0.0001228900000000 ] - [ -0.0002232200000000, -0.0006870200000000, 0.0004637500000000 ] - [ 0.0002934700000000, 0.0000679200000000, 0.0000964900000000 ] - [ -0.0000626700000000, 0.0006930000000000, -0.0006541300000000 ] - [ 0.0004464400000000, 0.0000835200000000, -0.0012375900000000 ] - [ -0.0001256600000000, 0.0002051600000000, 0.0006309400000000 ] - [ 0.0014173900000000, -0.0000957400000000, 0.0000654200000000 ] - [ -0.0013544900000000, 0.0001196400000000, -0.0001666400000000 ] - [ -0.0001610200000000, 0.0001607900000000, 0.0009667200000000 ] - [ 0.0008074500000000, -0.0005488200000000, 0.0008147700000000 ] - [ -0.0002933800000000, 0.0001873600000000, 0.0008950000000000 ] - [ 0.0005524900000000, -0.0002645900000000, -0.0001031000000000 ] - [ 0.0000563700000000, 0.0000792600000000, 0.0006403100000000 ] - [ 0.0001615000000000, 0.0001005600000000, -0.0002543000000000 ] - [ -0.0004270800000000, 0.0000562200000000, -0.0000796900000000 ] - [ 0.0008257600000000, 0.0002245100000000, -0.0000521600000000 ] - [ -0.0001769800000000, -0.0004259000000000, -0.0002330200000000 ] - [ 0.0003111900000000, 0.0002608600000000, 0.0002355900000000 ] - [ -0.0003732400000000, 0.0002890600000000, 0.0002220000000000 ] - [ -0.0000948700000000, -0.0001703800000000, 0.0005625300000000 ] - [ 0.0007236000000000, 0.0000036700000000, -0.0001921200000000 ] - [ -0.0003546500000000, -0.0006947800000000, -0.0008729000000000 ] - [ -0.0004650400000000, 0.0004574800000000, -0.0000241800000000 ] - [ -0.0002759100000000, 0.0001315800000000, 0.0002881500000000 ] - [ -0.0003684300000000, -0.0005872900000000, -0.0009667400000000 ] - [ 0.0005372600000000, 0.0002449800000000, 0.0006244500000000 ] - [ 0.0000576600000000, 0.0001069700000000, -0.0002951000000000 ] - [ 0.0003468200000000, 0.0003762900000000, -0.0006577000000000 ] - [ -0.0000484300000000, 0.0002198000000000, 0.0003669700000000 ] - [ -0.0001085200000000, -0.0000789000000000, 0.0001562700000000 ] - [ 0.0008372400000000, -0.0001798000000000, -0.0000379900000000 ] - [ 0.0003517200000000, 0.0004339200000000, -0.0006651700000000 ] - [ -0.0002010200000000, 0.0000270000000000, 0.0001419400000000 ] - [ 0.0003945900000000, 0.0002937500000000, 0.0000921300000000 ] - [ 0.0003255500000000, 0.0002359500000000, -0.0003642300000000 ] - [ -0.0000381300000000, 0.0002794900000000, 0.0005099400000000 ] - [ 0.0005196800000000, -0.0001728800000000, 0.0002318400000000 ] - [ 0.0001731800000000, -0.0000732500000000, -0.0001523100000000 ] - [ -0.0000087600000000, 0.0001462600000000, 0.0003218400000000 ] - [ 0.0003804900000000, -0.0003746500000000, 0.0000135300000000 ] - [ 0.0005231800000000, 0.0001352500000000, -0.0002211200000000 ] - [ 0.0003591400000000, 0.0002069300000000, 0.0001574700000000 ] - [ -0.0001314200000000, 0.0001320000000000, 0.0000777600000000 ] - [ 0.0002409200000000, 0.0001917800000000, 0.0003045300000000 ] - [ -0.0004581800000000, 0.0001639400000000, 0.0005385900000000 ] - [ 0.0008440300000000, -0.0001372700000000, 0.0003696800000000 ] - [ 0.0000715800000000, -0.0005674600000000, 0.0003212300000000 ] - [ -0.0000371800000000, 0.0002291600000000, -0.0002718700000000 ] - [ -0.0003326500000000, 0.0002493100000000, 0.0000342200000000 ] - [ -0.0003803500000000, 0.0003125900000000, -0.0003675800000000 ] - [ 0.0005420500000000, 0.0003034000000000, -0.0001004300000000 ] - [ -0.0000223200000000, -0.0002096900000000, -0.0000857300000000 ] - [ 0.0004875700000000, -0.0001068600000000, 0.0000209800000000 ] - [ -0.0004171100000000, -0.0002148400000000, -0.0003898200000000 ] - [ 0.0001295700000000, 0.0002971300000000, -0.0003896800000000 ] - [ 0.0001322400000000, 0.0000333100000000, -0.0000607400000000 ] - [ 0.0001647600000000, -0.0003129100000000, 0.0000180600000000 ] - [ 0.0005546400000000, 0.0001989100000000, 0.0000878200000000 ] - [ -0.0001104400000000, -0.0000204500000000, -0.0004066600000000 ] - [ 0.0005007400000000, 0.0005295100000000, -0.0007779000000000 ] - [ 0.0008129600000000, -0.0001156400000000, -0.0002146300000000 ] - [ 0.0004506700000000, 0.0000308900000000, -0.0001047400000000 ] - [ -0.0000058300000000, -0.0000407400000000, 0.0003435200000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007481200000000, 0.0004154100000000, -0.0002395200000000 ] - [ -0.0004431100000000, -0.0000819600000000, -0.0007516400000000 ] - [ -0.0003381100000000, 0.0002928800000000, -0.0005005700000000 ] - [ -0.0004215400000000, -0.0000439600000000, -0.0000649000000000 ] - [ -0.0004882600000000, -0.0002617600000000, 0.0005769100000000 ] - [ 0.0015975500000000, 0.0006945800000000, -0.0006896300000000 ] - [ 0.0000586800000000, -0.0001344400000000, 0.0014290400000000 ] - [ 0.0010562800000000, -0.0000158100000000, -0.0009064100000000 ] - [ 0.0002820800000000, 0.0004602500000000, -0.0000479100000000 ] - [ -0.0000124900000000, -0.0001424900000000, -0.0004784300000000 ] - [ 0.0001973300000000, 0.0002491600000000, -0.0004460600000000 ] - [ -0.0004489800000000, 0.0000137300000000, 0.0000248300000000 ] - [ -0.0003324900000000, -0.0000904700000000, -0.0002890900000000 ] - [ 0.0003321800000000, 0.0003158800000000, 0.0005220700000000 ] - [ 0.0005865200000000, -0.0000784600000000, 0.0004629100000000 ] - [ 0.0004375000000000, -0.0000609400000000, 0.0001920900000000 ] - [ 0.0082614200000000, -0.0262941800000000, 0.0046291100000000 ] - [ -0.0002639900000000, -0.0002286000000000, -0.0000492100000000 ] - [ 0.0002517900000000, -0.0001936100000000, 0.0000408700000000 ] - [ 0.0019709800000000, 0.0021068900000000, 0.0001823400000000 ] - [ -0.0020540600000000, -0.0009629800000000, 0.0004230300000000 ] - [ -0.0002185600000000, -0.0000005900000000, -0.0003584400000000 ] - [ 0.0003204500000000, 0.0011329700000000, 0.0013921300000000 ] - [ 0.0006914400000000, 0.0000667300000000, 0.0005295400000000 ] - [ -0.0005705500000000, 0.0005093300000000, -0.0001670000000000 ] - [ -0.0002706300000000, -0.0006597800000000, -0.0004173800000000 ] - [ 0.0009156700000000, -0.0008035600000000, 0.0017110000000000 ] - [ 0.0016048000000000, 0.0028823400000000, -0.0039670600000000 ] - [ -0.0005280000000000, 0.0001186600000000, -0.0006374900000000 ] - [ -0.0004906000000000, -0.0002522900000000, 0.0000474600000000 ] - [ 0.0001188800000000, -0.0006409900000000, 0.0003796900000000 ] - [ -0.0003372400000000, 0.0000238700000000, -0.0002656700000000 ] - [ 0.0005175600000000, 0.0001355500000000, 0.0006019400000000 ] - [ 0.0006185500000000, 0.0000529600000000, 0.0003236900000000 ] - [ -0.0016093600000000, 0.0002448300000000, 0.0007333500000000 ] - [ 0.0006976200000000, -0.0005032500000000, -0.0003075400000000 ] - [ 0.0003892800000000, -0.0002275900000000, -0.0001942300000000 ] - [ 0.0004371600000000, 0.0005329300000000, 0.0001659800000000 ] - [ -0.0004054700000000, 0.0000792200000000, -0.0012260200000000 ] - [ -0.0010786900000000, -0.0003188700000000, 0.0007383200000000 ] - [ -0.0000839000000000, 0.0000702300000000, -0.0001084200000000 ] - [ -0.0065083100000000, 0.0076655800000000, 0.0075687800000000 ] - [ 0.0001229600000000, -0.0004066700000000, -0.0001280400000000 ] - [ 0.0054600700000000, 0.0018869100000000, 0.0058910400000000 ] - [ -0.0001739100000000, -0.0002312300000000, -0.0001252300000000 ] - [ 0.0023530400000000, 0.0043763600000000, -0.0047289100000000 ] - [ -0.0005161900000000, -0.0000791200000000, -0.0000788400000000 ] - [ -0.0000957200000000, -0.0004049800000000, 0.0001456000000000 ] - [ -0.0108312200000000, 0.0085284500000000, -0.0122325200000000 ] - [ 0.0001973100000000, -0.0002281600000000, 0.0001137800000000 ] - [ -0.0005652000000000, -0.0003889800000000, -0.0001384100000000 ] - [ 0.0001126700000000, 0.0000696500000000, 0.0001115800000000 ] - [ 0.0004484000000000, 0.0000650600000000, 0.0003181100000000 ] - [ 0.0001236100000000, 0.0003028600000000, -0.0003256100000000 ] - [ 0.0001996600000000, 0.0002136100000000, 0.0004262600000000 ] - [ 0.0006817400000000, -0.0001692400000000, 0.0010155600000000 ] - [ 0.0009874800000000, -0.0000866600000000, -0.0002806800000000 ] - [ -0.0002283100000000, 0.0002052400000000, 0.0004563600000000 ] - [ -0.0004079400000000, -0.0003333500000000, -0.0005723200000000 ] - [ 0.0009872900000000, -0.0000402600000000, -0.0006665200000000 ] - [ 0.0003180000000000, -0.0002565900000000, 0.0002532900000000 ] - [ -0.0001916300000000, 0.0000989500000000, 0.0001879800000000 ] - [ 0.0001599900000000, 0.0001531900000000, 0.0001108600000000 ] - [ -0.0002864300000000, 0.0001520400000000, 0.0001998800000000 ] - [ 0.0001660800000000, -0.0000702700000000, -0.0001130200000000 ] - [ -0.0000892500000000, -0.0004886900000000, 0.0000849800000000 ] - [ 0.0001750300000000, 0.0002205700000000, 0.0000581500000000 ] - [ -0.0000831000000000, 0.0002789800000000, -0.0000214500000000 ] - [ -0.0000463100000000, -0.0000620600000000, 0.0003730400000000 ] - [ -0.0001924400000000, 0.0003974000000000, -0.0004825600000000 ] - [ -0.0000667200000000, -0.0006101400000000, 0.0010327200000000 ] - [ -0.0007994000000000, 0.0006059700000000, -0.0004012900000000 ] - [ -0.0003813000000000, -0.0000101300000000, 0.0000156100000000 ] - [ 0.0002052800000000, 0.0008546100000000, 0.0000102500000000 ] - [ -0.0006203500000000, -0.0002054100000000, -0.0004154300000000 ] - [ -0.0001514500000000, -0.0000695700000000, -0.0000248300000000 ] - [ 0.0000370700000000, -0.0001137600000000, -0.0001409900000000 ] - [ -0.0000983100000000, 0.0001780400000000, 0.0001868100000000 ] - [ -0.0001866600000000, -0.0000744700000000, -0.0000556500000000 ] - [ 0.0004695700000000, -0.0004002600000000, -0.0007822500000000 ] - [ 0.0002202200000000, -0.0006619700000000, -0.0005721900000000 ] - [ 0.0003823100000000, 0.0000045100000000, 0.0004078400000000 ] - [ 0.0001564200000000, 0.0003026100000000, 0.0000066700000000 ] - [ 0.0001672600000000, 0.0001931000000000, -0.0005747300000000 ] - [ -0.0001827300000000, 0.0002907300000000, 0.0004960900000000 ] - [ 0.0002306200000000, -0.0001119800000000, -0.0000045700000000 ] - [ -0.0002470200000000, -0.0000107700000000, -0.0003226000000000 ] - [ -0.0003545700000000, 0.0002407500000000, 0.0006076800000000 ] - [ 0.0000498100000000, -0.0004790500000000, -0.0000712100000000 ] - [ 0.0002947800000000, 0.0001364500000000, -0.0001146600000000 ] - [ 0.0006558000000000, -0.0000854100000000, 0.0001888100000000 ] - [ -0.0003129100000000, 0.0001101900000000, 0.0002042700000000 ] - [ 0.0000895000000000, 0.0001540000000000, 0.0001424100000000 ] - [ -0.0005697200000000, 0.0001326700000000, 0.0004462800000000 ] - [ 0.0002407200000000, -0.0000637100000000, 0.0000214900000000 ] - [ -0.0001575500000000, -0.0005248300000000, 0.0001109600000000 ] - [ 0.0003861300000000, 0.0003279400000000, 0.0001756700000000 ] - [ -0.0004348800000000, 0.0002601200000000, 0.0000115600000000 ] - [ -0.0003531600000000, 0.0002271500000000, -0.0001535100000000 ] - [ 0.0000868400000000, 0.0001662100000000, -0.0001223700000000 ] - [ -0.0002680800000000, -0.0002172100000000, -0.0002744000000000 ] - [ -0.0000316300000000, 0.0001763400000000, 0.0000575500000000 ] - [ -0.0004449700000000, -0.0000186400000000, 0.0000247400000000 ] - [ -0.0001213300000000, 0.0001984500000000, -0.0004604400000000 ] - [ -0.0001888900000000, 0.0001186600000000, -0.0000713900000000 ] - [ 0.0004105700000000, -0.0000060600000000, -0.0001535500000000 ] - [ 0.0000431300000000, 0.0000460800000000, -0.0003335400000000 ] - [ 0.0001296300000000, -0.0000872200000000, -0.0001302600000000 ] - [ -0.0008856700000000, -0.0005487500000000, 0.0006213600000000 ] - [ 0.0002999400000000, -0.0000881700000000, 0.0001086000000000 ] - [ 0.0000866800000000, -0.0000420500000000, -0.0002931700000000 ] - [ -0.0002619400000000, -0.0000654400000000, 0.0001808500000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007456100000000, 0.0004424200000000, 0.0002417600000000 ] - [ -0.0000784900000000, -0.0000694200000000, 0.0000463800000000 ] - [ 0.0001024900000000, 0.0002975400000000, -0.0007253100000000 ] - [ 0.0001856300000000, 0.0001037100000000, 0.0004875200000000 ] - [ 0.0004877200000000, -0.0001927600000000, -0.0005800900000000 ] - [ -0.0013590400000000, -0.0001011500000000, 0.0019140500000000 ] - [ 0.0004632000000000, -0.0000174400000000, -0.0007189900000000 ] - [ -0.0008175200000000, 0.0000745400000000, 0.0004828200000000 ] - [ -0.0002817100000000, 0.0003978000000000, 0.0000499000000000 ] - [ -0.0005060500000000, -0.0000105900000000, -0.0002255800000000 ] - [ -0.0004328700000000, 0.0003416200000000, -0.0007778700000000 ] - [ 0.0002177700000000, 0.0000445700000000, 0.0003991200000000 ] - [ 0.0003316700000000, -0.0003615000000000, 0.0002846100000000 ] - [ -0.0000960800000000, 0.0002751900000000, 0.0007058000000000 ] - [ -0.0000654100000000, -0.0000731400000000, 0.0002446100000000 ] - [ -0.0002064700000000, 0.0001227400000000, -0.0006134300000000 ] - [ -0.0078603700000000, 0.0270156300000000, -0.0040723000000000 ] - [ -0.0002221800000000, -0.0002575600000000, -0.0000340900000000 ] - [ 0.0002360400000000, -0.0002242100000000, 0.0000482600000000 ] - [ -0.0024608500000000, -0.0025896400000000, -0.0002682000000000 ] - [ 0.0018533800000000, -0.0002244100000000, 0.0003433200000000 ] - [ -0.0004057200000000, 0.0000409300000000, -0.0002107200000000 ] - [ 0.0003755100000000, -0.0009296900000000, -0.0003778200000000 ] - [ -0.0000658500000000, -0.0000262700000000, 0.0000429700000000 ] - [ -0.0005009300000000, 0.0006286400000000, 0.0002021000000000 ] - [ 0.0004631100000000, -0.0005254800000000, -0.0003394400000000 ] - [ -0.0002780800000000, 0.0003152300000000, -0.0017409400000000 ] - [ -0.0005242900000000, -0.0017342000000000, 0.0039045100000000 ] - [ -0.0001688100000000, 0.0000763100000000, -0.0003792700000000 ] - [ -0.0001739500000000, -0.0002295900000000, 0.0000091000000000 ] - [ -0.0003111000000000, -0.0005445900000000, 0.0003780600000000 ] - [ -0.0002851700000000, 0.0000163200000000, -0.0003034200000000 ] - [ 0.0001770400000000, 0.0000594700000000, 0.0004151400000000 ] - [ 0.0000037100000000, -0.0000132800000000, 0.0002496500000000 ] - [ 0.0005492400000000, 0.0008923200000000, -0.0007033700000000 ] - [ -0.0005024300000000, -0.0006821500000000, -0.0004471000000000 ] - [ 0.0002763600000000, -0.0002542800000000, 0.0001370800000000 ] - [ 0.0006329700000000, 0.0006048600000000, -0.0002018400000000 ] - [ -0.0002892500000000, 0.0001155700000000, 0.0002105700000000 ] - [ 0.0004058600000000, -0.0001627200000000, -0.0006744800000000 ] - [ -0.0002168800000000, 0.0000686600000000, -0.0000597100000000 ] - [ 0.0067249700000000, -0.0089092800000000, -0.0077672200000000 ] - [ 0.0001163100000000, -0.0004013500000000, -0.0001715400000000 ] - [ -0.0048091200000000, -0.0022695100000000, -0.0053469000000000 ] - [ -0.0002424000000000, -0.0002045800000000, -0.0001982000000000 ] - [ -0.0021884300000000, -0.0042294200000000, 0.0051256800000000 ] - [ 0.0002137300000000, 0.0002209600000000, -0.0000889300000000 ] - [ -0.0001416500000000, -0.0003902600000000, 0.0001681400000000 ] - [ 0.0106314000000000, -0.0091485900000000, 0.0114826800000000 ] - [ 0.0002107000000000, -0.0002137000000000, 0.0002032700000000 ] - [ 0.0001460400000000, -0.0000474500000000, -0.0001885200000000 ] - [ 0.0001925900000000, 0.0000738300000000, 0.0000462800000000 ] - [ 0.0000686400000000, 0.0005089700000000, -0.0003981100000000 ] - [ 0.0003154100000000, 0.0000894100000000, -0.0008780800000000 ] - [ -0.0001826200000000, 0.0002478200000000, 0.0005555400000000 ] - [ -0.0001835100000000, 0.0000197300000000, -0.0006835500000000 ] - [ -0.0010839900000000, 0.0000625900000000, -0.0002503700000000 ] - [ -0.0002107100000000, 0.0001859400000000, 0.0007471900000000 ] - [ 0.0007883100000000, -0.0005469000000000, 0.0005871700000000 ] - [ -0.0001809200000000, 0.0002780400000000, 0.0003770000000000 ] - [ 0.0002204900000000, -0.0002171100000000, -0.0000233000000000 ] - [ -0.0001896300000000, 0.0001254300000000, 0.0003542000000000 ] - [ -0.0000393500000000, 0.0000206000000000, -0.0000714300000000 ] - [ -0.0005196500000000, 0.0000871500000000, 0.0000872600000000 ] - [ 0.0007361700000000, 0.0000512800000000, 0.0001348900000000 ] - [ -0.0002953700000000, -0.0003924900000000, -0.0001018800000000 ] - [ -0.0001417300000000, 0.0000556900000000, 0.0001024500000000 ] - [ -0.0004355800000000, 0.0002915700000000, 0.0001070500000000 ] - [ -0.0002989700000000, -0.0000752600000000, 0.0003299700000000 ] - [ 0.0005913500000000, 0.0000444000000000, 0.0000655100000000 ] - [ -0.0004812200000000, 0.0001300700000000, -0.0012578700000000 ] - [ 0.0007733700000000, -0.0003292600000000, 0.0002371000000000 ] - [ -0.0005220800000000, -0.0000088500000000, -0.0000383900000000 ] - [ -0.0002211800000000, -0.0003931400000000, -0.0009894100000000 ] - [ 0.0004992600000000, 0.0003730500000000, 0.0003760400000000 ] - [ -0.0003406800000000, -0.0000793500000000, -0.0002993300000000 ] - [ 0.0003428300000000, 0.0003373000000000, -0.0004021700000000 ] - [ -0.0003037100000000, 0.0002670900000000, 0.0002333800000000 ] - [ -0.0005264400000000, -0.0001136200000000, 0.0002216400000000 ] - [ 0.0002414100000000, 0.0002152600000000, 0.0006190400000000 ] - [ 0.0001250100000000, 0.0005199800000000, -0.0001347200000000 ] - [ -0.0002809800000000, -0.0000271800000000, 0.0001227100000000 ] - [ 0.0003618100000000, 0.0002676400000000, -0.0000927900000000 ] - [ 0.0002704200000000, 0.0001979500000000, -0.0006296600000000 ] - [ 0.0001989300000000, 0.0001709500000000, 0.0004848400000000 ] - [ 0.0002629700000000, -0.0000374600000000, 0.0003303000000000 ] - [ 0.0001456900000000, -0.0000116700000000, -0.0002085100000000 ] - [ -0.0000833900000000, 0.0001502900000000, 0.0005953300000000 ] - [ 0.0003360800000000, -0.0004019600000000, 0.0000881300000000 ] - [ 0.0005122800000000, 0.0001024200000000, -0.0001729700000000 ] - [ -0.0001161300000000, -0.0003899400000000, 0.0000410400000000 ] - [ -0.0000673500000000, 0.0001138700000000, 0.0003377700000000 ] - [ 0.0000291200000000, 0.0000194900000000, -0.0001031500000000 ] - [ -0.0002377200000000, 0.0001063000000000, -0.0001591000000000 ] - [ 0.0006607200000000, 0.0000445400000000, 0.0000013100000000 ] - [ -0.0002289200000000, -0.0003561500000000, -0.0001289100000000 ] - [ -0.0003497100000000, -0.0000498500000000, -0.0000152300000000 ] - [ -0.0000845900000000, 0.0003103500000000, 0.0000737200000000 ] - [ 0.0000081100000000, -0.0003636800000000, 0.0008540100000000 ] - [ 0.0003145000000000, 0.0002781600000000, -0.0002978900000000 ] - [ -0.0002691800000000, -0.0002563700000000, 0.0000469300000000 ] - [ -0.0000021300000000, 0.0001006200000000, -0.0002164000000000 ] - [ -0.0004571800000000, -0.0000008000000000, -0.0000481000000000 ] - [ 0.0001038200000000, 0.0002627900000000, -0.0005221800000000 ] - [ 0.0000699300000000, 0.0000548800000000, 0.0000313200000000 ] - [ -0.0009126200000000, -0.0001480500000000, -0.0001747700000000 ] - [ 0.0003360500000000, 0.0001777200000000, -0.0002101200000000 ] - [ -0.0005266400000000, 0.0005286700000000, 0.0005458300000000 ] - [ 0.0001775600000000, 0.0003627700000000, -0.0004542300000000 ] - [ 0.0004127400000000, -0.0000995500000000, -0.0002729600000000 ] - [ 0.0002576700000000, -0.0000953000000000, -0.0004099900000000 ] - [ 0.0003612900000000, 0.0000425200000000, 0.0003488200000000 ]- atom: 17 displacement: [ -0.0057565208649526, 0.0000000000000000, 0.0081769473235044 ] forces: - [ 0.0009813100000000, 0.0004021800000000, 0.0015112100000000 ] - [ -0.0007608200000000, -0.0001149900000000, 0.0010394600000000 ] - [ 0.0003529500000000, 0.0002626300000000, -0.0004332200000000 ] - [ -0.0010265300000000, -0.0000024900000000, 0.0008616700000000 ] - [ 0.0004043800000000, -0.0002409800000000, -0.0006575100000000 ] - [ -0.0036366000000000, -0.0000694000000000, 0.0037527900000000 ] - [ 0.0014145800000000, 0.0000419500000000, 0.0004209500000000 ] - [ 0.0000444900000000, -0.0000993300000000, -0.0011110000000000 ] - [ -0.0000233200000000, 0.0004606200000000, 0.0005656900000000 ] - [ 0.0001100500000000, -0.0000683400000000, 0.0000879600000000 ] - [ -0.0008857000000000, 0.0003134400000000, 0.0004940200000000 ] - [ 0.0005536600000000, 0.0000820600000000, 0.0002906800000000 ] - [ -0.0010325500000000, 0.0000247000000000, -0.0000428400000000 ] - [ 0.0002245700000000, 0.0003180700000000, 0.0006348100000000 ] - [ -0.0003684200000000, -0.0000384800000000, 0.0007756300000000 ] - [ -0.0007373500000000, 0.0001279500000000, -0.0008076200000000 ] - [ 0.0062636900000000, -0.0008095700000000, -0.0236549700000000 ] - [ -0.0002613200000000, -0.0002459400000000, 0.0000049400000000 ] - [ 0.0002270300000000, -0.0002125000000000, 0.0000705000000000 ] - [ 0.0011085300000000, 0.0008518300000000, 0.0013841400000000 ] - [ 0.0012599800000000, 0.0003640100000000, 0.0028360100000000 ] - [ -0.0013293900000000, 0.0001160600000000, 0.0006773900000000 ] - [ 0.0016801300000000, -0.0001674300000000, -0.0006954400000000 ] - [ 0.0007290300000000, 0.0000674400000000, 0.0002581600000000 ] - [ -0.0009703000000000, 0.0005228000000000, 0.0002179500000000 ] - [ 0.0005223900000000, -0.0005085700000000, 0.0002104300000000 ] - [ -0.0021689600000000, 0.0007558400000000, -0.0032179700000000 ] - [ -0.0015153600000000, 0.0011155300000000, -0.0012915800000000 ] - [ -0.0006498600000000, 0.0000926600000000, 0.0000678800000000 ] - [ -0.0000764900000000, -0.0002901200000000, 0.0002118600000000 ] - [ -0.0002138700000000, -0.0005669200000000, 0.0005360100000000 ] - [ 0.0001936700000000, 0.0000136500000000, -0.0000888600000000 ] - [ -0.0000061800000000, 0.0000409400000000, 0.0005694300000000 ] - [ -0.0008890800000000, -0.0001603500000000, 0.0007410000000000 ] - [ 0.0013522100000000, 0.0007043900000000, -0.0011644200000000 ] - [ 0.0001585800000000, -0.0006727300000000, 0.0005715900000000 ] - [ 0.0001591300000000, -0.0001719800000000, -0.0001212100000000 ] - [ 0.0004947300000000, 0.0006231300000000, -0.0001386600000000 ] - [ 0.0001670900000000, 0.0000155500000000, -0.0000717100000000 ] - [ -0.0017503200000000, -0.0003498900000000, 0.0014679600000000 ] - [ -0.0002044500000000, 0.0000841300000000, -0.0002006600000000 ] - [ -0.0068716400000000, 0.0086113400000000, 0.0067003600000000 ] - [ 0.0001774700000000, -0.0003621200000000, -0.0001894800000000 ] - [ 0.0020610900000000, 0.0015245700000000, 0.0023770500000000 ] - [ -0.0001052700000000, -0.0002182200000000, -0.0003691500000000 ] - [ -0.0028235200000000, -0.0085409800000000, 0.0082753400000000 ] - [ -0.0001138400000000, 0.0001072300000000, -0.0007116900000000 ] - [ -0.0000932000000000, -0.0004018500000000, 0.0001447800000000 ] - [ 0.0042860500000000, -0.0056130500000000, 0.0048528100000000 ] - [ 0.0002633200000000, -0.0002029400000000, 0.0001573900000000 ] - [ -0.0007690600000000, -0.0002625800000000, -0.0002671400000000 ] - [ 0.0001923600000000, 0.0000618000000000, 0.0000402200000000 ] - [ 0.0003821500000000, 0.0002470500000000, -0.0016218600000000 ] - [ 0.0009609400000000, 0.0001170200000000, -0.0017034100000000 ] - [ -0.0003077900000000, 0.0002359500000000, 0.0002150600000000 ] - [ 0.0014095500000000, -0.0001211800000000, 0.0007923700000000 ] - [ -0.0013986100000000, 0.0001238400000000, -0.0008638500000000 ] - [ -0.0005116500000000, 0.0003019300000000, 0.0006301700000000 ] - [ -0.0000924000000000, -0.0005810300000000, 0.0001046300000000 ] - [ -0.0004541000000000, 0.0001615600000000, 0.0003213100000000 ] - [ 0.0005353300000000, -0.0002206200000000, -0.0000865200000000 ] - [ -0.0005823300000000, 0.0001338500000000, 0.0000619500000000 ] - [ 0.0004008800000000, 0.0001307800000000, -0.0004169000000000 ] - [ -0.0002052800000000, 0.0000631500000000, -0.0005977000000000 ] - [ 0.0012988000000000, 0.0002625000000000, 0.0000633000000000 ] - [ 0.0000109300000000, -0.0004401800000000, -0.0003205200000000 ] - [ -0.0002296100000000, 0.0000177000000000, 0.0000814300000000 ] - [ -0.0005410700000000, 0.0003739900000000, -0.0002374800000000 ] - [ -0.0004237200000000, -0.0000138300000000, 0.0001473300000000 ] - [ 0.0010941600000000, -0.0003559500000000, 0.0005621800000000 ] - [ -0.0002915000000000, -0.0005663700000000, 0.0003714300000000 ] - [ 0.0003344400000000, 0.0002254700000000, 0.0004456900000000 ] - [ -0.0007269000000000, -0.0000295300000000, -0.0001362200000000 ] - [ -0.0000134300000000, -0.0003906400000000, -0.0015517300000000 ] - [ -0.0004165500000000, 0.0003185600000000, 0.0002541100000000 ] - [ 0.0000800300000000, 0.0000913900000000, -0.0001916300000000 ] - [ 0.0008669800000000, 0.0005825900000000, -0.0007232800000000 ] - [ -0.0003916100000000, 0.0002623800000000, 0.0001491200000000 ] - [ -0.0005273300000000, -0.0000647000000000, 0.0001821800000000 ] - [ 0.0000218600000000, 0.0003226300000000, 0.0010317000000000 ] - [ 0.0013205600000000, 0.0013479700000000, 0.0003065700000000 ] - [ -0.0002721800000000, -0.0001481500000000, -0.0002446200000000 ] - [ 0.0002477300000000, 0.0002480200000000, -0.0001871700000000 ] - [ 0.0000437700000000, 0.0001420400000000, -0.0006384600000000 ] - [ 0.0001816800000000, 0.0001746400000000, 0.0000140100000000 ] - [ 0.0003457900000000, -0.0000567900000000, 0.0003724400000000 ] - [ 0.0000826700000000, 0.0000453100000000, -0.0003806100000000 ] - [ 0.0003773500000000, 0.0001056100000000, 0.0000021400000000 ] - [ 0.0005062000000000, -0.0003771800000000, 0.0000334200000000 ] - [ 0.0006271800000000, 0.0001137700000000, -0.0004549800000000 ] - [ -0.0002534200000000, -0.0002148900000000, 0.0002029100000000 ] - [ 0.0002573200000000, 0.0000146100000000, 0.0000033300000000 ] - [ -0.0002361400000000, 0.0000099000000000, -0.0001349800000000 ] - [ -0.0004768300000000, 0.0001298600000000, -0.0000757000000000 ] - [ 0.0003036900000000, -0.0000727500000000, 0.0001372500000000 ] - [ -0.0005332000000000, -0.0003505400000000, -0.0002502000000000 ] - [ 0.0006892300000000, 0.0004922800000000, -0.0000697600000000 ] - [ -0.0001466600000000, 0.0004102100000000, -0.0004108800000000 ] - [ 0.0000189600000000, 0.0003080000000000, -0.0004230200000000 ] - [ 0.0002315800000000, 0.0002388700000000, -0.0001424100000000 ] - [ -0.0002036700000000, -0.0002801000000000, 0.0000336000000000 ] - [ 0.0002099300000000, 0.0000651600000000, 0.0000860600000000 ] - [ -0.0000340300000000, -0.0003547800000000, -0.0004935300000000 ] - [ -0.0000318300000000, 0.0002435500000000, -0.0006254700000000 ] - [ 0.0002531100000000, 0.0000460300000000, -0.0000775200000000 ] - [ -0.0008424600000000, -0.0002310300000000, -0.0000902300000000 ] - [ -0.0000379800000000, 0.0000874100000000, -0.0003953200000000 ] - [ 0.0004941800000000, -0.0002209600000000, -0.0004980700000000 ] - [ -0.0001816200000000, -0.0001110100000000, 0.0002920700000000 ] - [ 0.0006300300000000, -0.0001675100000000, -0.0000963700000000 ] - [ 0.0001761500000000, -0.0000391700000000, -0.0002974600000000 ] - [ -0.0001283300000000, -0.0001014300000000, -0.0000328800000000 ]- atom: 17 displacement: [ 0.0057565208649526, 0.0000000000000000, -0.0081769473235044 ] forces: - [ -0.0009884200000000, 0.0004664900000000, -0.0015161100000000 ] - [ 0.0002410000000000, -0.0000276400000000, -0.0017510200000000 ] - [ -0.0005944200000000, 0.0003380200000000, -0.0007914800000000 ] - [ 0.0007948700000000, 0.0000723200000000, -0.0004352900000000 ] - [ -0.0004098000000000, -0.0002059900000000, 0.0006725500000000 ] - [ 0.0038865600000000, 0.0006764600000000, -0.0025346200000000 ] - [ -0.0009006300000000, -0.0001850200000000, 0.0002868500000000 ] - [ 0.0001895000000000, 0.0001701600000000, 0.0006876800000000 ] - [ 0.0000247800000000, 0.0004073000000000, -0.0005680800000000 ] - [ -0.0006318900000000, -0.0000756800000000, -0.0007967600000000 ] - [ 0.0006557200000000, 0.0002866000000000, -0.0017227700000000 ] - [ -0.0007945900000000, -0.0000142300000000, 0.0001362300000000 ] - [ 0.0010328900000000, -0.0004752700000000, 0.0000414900000000 ] - [ 0.0000120600000000, 0.0002824200000000, 0.0005914000000000 ] - [ 0.0008946400000000, -0.0001039100000000, -0.0000704000000000 ] - [ 0.0009779500000000, -0.0000644000000000, 0.0003834000000000 ] - [ -0.0057319100000000, 0.0013742600000000, 0.0229984900000000 ] - [ -0.0002352800000000, -0.0002270900000000, -0.0001053500000000 ] - [ 0.0002676200000000, -0.0001902700000000, 0.0000347700000000 ] - [ -0.0016037900000000, -0.0013261800000000, -0.0014867700000000 ] - [ -0.0014599500000000, -0.0015400900000000, -0.0020807900000000 ] - [ 0.0007106000000000, -0.0000672800000000, -0.0012500200000000 ] - [ -0.0009864200000000, 0.0003726900000000, 0.0017184500000000 ] - [ -0.0001072400000000, -0.0000172400000000, 0.0003145700000000 ] - [ -0.0001012500000000, 0.0006256500000000, -0.0001826100000000 ] - [ -0.0003335100000000, -0.0006677300000000, -0.0009702600000000 ] - [ 0.0028284100000000, -0.0012183400000000, 0.0031709600000000 ] - [ 0.0026015500000000, 0.0000491100000000, 0.0012549200000000 ] - [ -0.0000461300000000, 0.0001124900000000, -0.0010860500000000 ] - [ -0.0005903100000000, -0.0001817900000000, -0.0001544000000000 ] - [ 0.0000225200000000, -0.0006095400000000, 0.0002221700000000 ] - [ -0.0008211900000000, 0.0000356300000000, -0.0004822100000000 ] - [ 0.0007052300000000, 0.0001650300000000, 0.0004482500000000 ] - [ 0.0015179200000000, 0.0002105000000000, -0.0001712700000000 ] - [ -0.0024502500000000, 0.0004365400000000, 0.0012141100000000 ] - [ 0.0000382000000000, -0.0005017100000000, -0.0013329100000000 ] - [ 0.0005051600000000, -0.0003005100000000, 0.0000651200000000 ] - [ 0.0005766000000000, 0.0005238900000000, 0.0001080000000000 ] - [ -0.0008676500000000, 0.0001903400000000, -0.0009515400000000 ] - [ 0.0010889900000000, -0.0001230500000000, -0.0014080600000000 ] - [ -0.0000906500000000, 0.0000599300000000, 0.0000381300000000 ] - [ 0.0070185500000000, -0.0100245300000000, -0.0067590700000000 ] - [ 0.0000594300000000, -0.0004309000000000, -0.0001093700000000 ] - [ -0.0016878400000000, -0.0019402600000000, -0.0021296800000000 ] - [ -0.0003082700000000, -0.0002075900000000, 0.0000498800000000 ] - [ 0.0027287300000000, 0.0081443800000000, -0.0072827400000000 ] - [ -0.0001908000000000, 0.0000407100000000, 0.0005570900000000 ] - [ -0.0001439300000000, -0.0003848200000000, 0.0001649900000000 ] - [ -0.0039915900000000, 0.0048198800000000, -0.0050083700000000 ] - [ 0.0001445600000000, -0.0002264700000000, 0.0001624500000000 ] - [ 0.0003628000000000, -0.0001666400000000, -0.0000514300000000 ] - [ 0.0001057800000000, 0.0000852400000000, 0.0001213900000000 ] - [ 0.0001308200000000, 0.0003400800000000, 0.0015477400000000 ] - [ -0.0005261700000000, 0.0002845600000000, 0.0005042600000000 ] - [ 0.0003279600000000, 0.0002346500000000, 0.0007712000000000 ] - [ -0.0009269700000000, -0.0000134500000000, -0.0004678500000000 ] - [ 0.0013099100000000, -0.0001435500000000, 0.0003376500000000 ] - [ 0.0000744500000000, 0.0000983600000000, 0.0005772900000000 ] - [ 0.0004776900000000, -0.0002902300000000, -0.0000884000000000 ] - [ 0.0012663800000000, 0.0000863400000000, -0.0006094100000000 ] - [ 0.0000016400000000, -0.0002446800000000, 0.0003209200000000 ] - [ 0.0002040400000000, 0.0001006500000000, 0.0004841900000000 ] - [ -0.0002836400000000, 0.0000530300000000, 0.0004608200000000 ] - [ -0.0006015500000000, 0.0001852900000000, 0.0008898200000000 ] - [ -0.0003989600000000, -0.0002733800000000, -0.0000385600000000 ] - [ -0.0003988500000000, -0.0004313900000000, 0.0003069900000000 ] - [ 0.0002619500000000, 0.0002709800000000, 0.0000795800000000 ] - [ 0.0000252300000000, 0.0002062000000000, 0.0003274300000000 ] - [ 0.0000805200000000, -0.0001131800000000, 0.0005624400000000 ] - [ -0.0006949200000000, 0.0008025600000000, -0.0009788400000000 ] - [ -0.0002387800000000, 0.0001031700000000, -0.0005914800000000 ] - [ -0.0004087500000000, 0.0000880100000000, -0.0006134400000000 ] - [ -0.0001749500000000, 0.0000210800000000, 0.0001183200000000 ] - [ -0.0000074800000000, 0.0008613600000000, 0.0005892200000000 ] - [ 0.0002964600000000, -0.0001355600000000, -0.0002943200000000 ] - [ -0.0005736400000000, -0.0002313100000000, -0.0001293000000000 ] - [ -0.0004902100000000, -0.0003503300000000, 0.0001844600000000 ] - [ -0.0000094900000000, 0.0001908900000000, 0.0002746100000000 ] - [ -0.0001857100000000, -0.0001151700000000, -0.0000185900000000 ] - [ 0.0006987900000000, -0.0005104100000000, -0.0012121700000000 ] - [ -0.0009680300000000, -0.0014736400000000, -0.0010040700000000 ] - [ 0.0003766800000000, 0.0001362000000000, 0.0007805000000000 ] - [ 0.0002694300000000, 0.0003329000000000, 0.0001040100000000 ] - [ 0.0003954200000000, 0.0002594300000000, -0.0005647300000000 ] - [ -0.0001666300000000, 0.0002968700000000, 0.0009738100000000 ] - [ 0.0001453100000000, -0.0000822300000000, -0.0000501800000000 ] - [ -0.0001862800000000, -0.0000586700000000, -0.0001483400000000 ] - [ -0.0008195800000000, 0.0002960400000000, 0.0012083900000000 ] - [ -0.0001217900000000, -0.0004943900000000, -0.0000141300000000 ] - [ 0.0001770300000000, 0.0001344400000000, 0.0001724800000000 ] - [ 0.0008035400000000, -0.0002483000000000, 0.0000335400000000 ] - [ -0.0006410400000000, 0.0002207300000000, 0.0005423400000000 ] - [ 0.0003567400000000, 0.0001748700000000, 0.0001786700000000 ] - [ -0.0003310100000000, 0.0001184800000000, 0.0003689000000000 ] - [ 0.0006007100000000, 0.0000632600000000, -0.0001135200000000 ] - [ 0.0001493800000000, -0.0005224900000000, 0.0002379300000000 ] - [ -0.0006610000000000, -0.0002055500000000, 0.0002322700000000 ] - [ -0.0003734000000000, 0.0001693300000000, 0.0005019500000000 ] - [ -0.0003669800000000, -0.0004346400000000, 0.0011308500000000 ] - [ 0.0001713600000000, 0.0002145300000000, -0.0002774000000000 ] - [ -0.0003349400000000, -0.0001848900000000, -0.0002639800000000 ] - [ -0.0002403600000000, 0.0002221500000000, -0.0002437400000000 ] - [ -0.0008725200000000, 0.0003470700000000, 0.0004754100000000 ] - [ 0.0000134000000000, 0.0002270900000000, -0.0003548800000000 ] - [ -0.0003750400000000, 0.0001385100000000, 0.0000406000000000 ] - [ 0.0003596400000000, 0.0000933300000000, -0.0002309600000000 ] - [ 0.0004197300000000, 0.0001470100000000, -0.0001447500000000 ] - [ -0.0008985900000000, 0.0006743600000000, 0.0009201700000000 ] - [ -0.0005239700000000, -0.0000677200000000, -0.0001351100000000 ] - [ 0.0000845100000000, -0.0000118800000000, -0.0000649900000000 ] - [ 0.0001687400000000, -0.0000873900000000, -0.0004067400000000 ] - [ 0.0002288700000000, 0.0000887600000000, 0.0005672300000000 ]- atom: 21 displacement: [ 0.0099999987502926, 0.0000000000000000, -0.0000049994145799 ] forces: - [ -0.0288949300000000, -0.0128753200000000, 0.0165615500000000 ] - [ -0.0022108400000000, -0.0010758900000000, -0.0211737000000000 ] - [ 0.0016684900000000, -0.0001564600000000, 0.0047488100000000 ] - [ -0.0001373000000000, -0.0004485300000000, -0.0046321500000000 ] - [ 0.0033480300000000, 0.0000709300000000, 0.0058354700000000 ] - [ 0.0151671400000000, -0.0048802700000000, -0.0064019000000000 ] - [ 0.0333913200000000, 0.0049718100000000, 0.0128841800000000 ] - [ 0.0056224700000000, -0.0001517400000000, -0.0049567100000000 ] - [ 0.0025106600000000, 0.0002579600000000, -0.0002190500000000 ] - [ 0.0035229300000000, -0.0001948300000000, 0.0015778200000000 ] - [ 0.0022384400000000, 0.0006329700000000, -0.0039678000000000 ] - [ 0.0018909800000000, 0.0003425900000000, 0.0044698900000000 ] - [ 0.0016925400000000, 0.0001732600000000, -0.0030718500000000 ] - [ 0.0043226900000000, 0.0008527700000000, 0.0004285100000000 ] - [ 0.0051655800000000, -0.0003294000000000, -0.0002578000000000 ] - [ 0.0078944100000000, -0.0013599900000000, 0.0028637700000000 ] - [ -0.0026275100000000, -0.0021581800000000, -0.0003039500000000 ] - [ -0.0003545400000000, 0.0001311300000000, 0.0003980800000000 ] - [ 0.0006578500000000, 0.0000122100000000, 0.0001954600000000 ] - [ -0.0007304300000000, -0.0008372700000000, -0.0003186000000000 ] - [ -0.2612490600000000, 0.0324374900000000, 0.0129535700000000 ] - [ 0.0022505900000000, -0.0013544300000000, -0.0056814900000000 ] - [ 0.0077985300000000, -0.0017755500000000, -0.0139775100000000 ] - [ 0.0069317400000000, -0.0000609600000000, 0.0016304300000000 ] - [ 0.0005139400000000, 0.0004724800000000, -0.0017458200000000 ] - [ -0.0041822600000000, -0.0013469500000000, 0.0076733300000000 ] - [ 0.0129190400000000, 0.0157931100000000, 0.0292709800000000 ] - [ 0.0034936000000000, 0.0022544100000000, -0.0071991600000000 ] - [ -0.0031550400000000, 0.0007124000000000, -0.0014441400000000 ] - [ 0.0019835900000000, -0.0006629500000000, 0.0043285100000000 ] - [ 0.0040105000000000, -0.0011792000000000, 0.0008853000000000 ] - [ 0.0040723800000000, 0.0001211000000000, 0.0034401100000000 ] - [ 0.0040179300000000, 0.0006672000000000, 0.0010181000000000 ] - [ 0.0097509000000000, 0.0009310500000000, -0.0041805000000000 ] - [ -0.0045435700000000, 0.0016593500000000, 0.0063142100000000 ] - [ 0.0016480800000000, -0.0004040000000000, -0.0008488700000000 ] - [ 0.0029099600000000, -0.0001210200000000, -0.0005533700000000 ] - [ 0.0029551700000000, -0.0003266200000000, 0.0025770200000000 ] - [ 0.0008342300000000, -0.0003601900000000, 0.0011475800000000 ] - [ -0.0015990700000000, 0.0004025600000000, -0.0041422600000000 ] - [ 0.0000102400000000, 0.0002146700000000, -0.0016160700000000 ] - [ 0.0011817600000000, -0.0003576300000000, 0.0009129400000000 ] - [ -0.0003103100000000, -0.0004632600000000, -0.0000979100000000 ] - [ 0.0035929700000000, 0.0001320500000000, 0.0023132100000000 ] - [ 0.0002593100000000, -0.0003111700000000, -0.0000820600000000 ] - [ 0.0085990600000000, 0.0027547600000000, -0.0016005700000000 ] - [ -0.0001312600000000, 0.0001682000000000, 0.0004433700000000 ] - [ -0.0005976000000000, -0.0002576600000000, -0.0002814700000000 ] - [ 0.0023081500000000, 0.0001021700000000, -0.0011633800000000 ] - [ -0.0007848000000000, -0.0005132400000000, -0.0000321100000000 ] - [ 0.0003463300000000, -0.0002896300000000, -0.0013367200000000 ] - [ -0.0009126200000000, 0.0000817600000000, 0.0002841700000000 ] - [ 0.0398311700000000, -0.0221551200000000, -0.0181664400000000 ] - [ -0.0023633800000000, 0.0003617000000000, 0.0048117900000000 ] - [ 0.0008865400000000, 0.0013314300000000, -0.0062670000000000 ] - [ -0.0000979000000000, 0.0004133900000000, 0.0020627800000000 ] - [ 0.1236427700000000, -0.0440838700000000, 0.0583002200000000 ] - [ -0.0037707200000000, 0.0025589300000000, -0.0013988600000000 ] - [ -0.0055255400000000, -0.0004026200000000, 0.0029017800000000 ] - [ -0.0047147700000000, -0.0044452500000000, 0.0022117700000000 ] - [ 0.0000812600000000, -0.0002836800000000, 0.0016998300000000 ] - [ -0.0057481400000000, -0.0009784400000000, -0.0050890500000000 ] - [ 0.0008997500000000, 0.0015261800000000, 0.0028255400000000 ] - [ 0.0038731700000000, 0.0011813100000000, -0.0006124200000000 ] - [ -0.0047391700000000, -0.0007093200000000, 0.0010192600000000 ] - [ 0.0012203300000000, -0.0014936500000000, 0.0023973300000000 ] - [ -0.0019116500000000, -0.0001732400000000, -0.0020553800000000 ] - [ 0.0002281300000000, -0.0015448000000000, -0.0058919700000000 ] - [ -0.0006411300000000, 0.0013678900000000, -0.0027022200000000 ] - [ -0.0043368500000000, -0.0039590000000000, -0.0027943500000000 ] - [ -0.0009263200000000, 0.0005552000000000, 0.0036560900000000 ] - [ -0.0071857300000000, 0.0014155600000000, -0.0062125000000000 ] - [ -0.0021572400000000, -0.0011229000000000, -0.0025869000000000 ] - [ 0.0637391200000000, 0.0446922600000000, -0.0447390600000000 ] - [ -0.0041260400000000, 0.0008243800000000, 0.0031242700000000 ] - [ -0.0003994700000000, -0.0004696000000000, 0.0009935000000000 ] - [ -0.0029572400000000, -0.0001237600000000, 0.0040799000000000 ] - [ -0.0010784800000000, -0.0002413100000000, -0.0020032800000000 ] - [ -0.0011829500000000, 0.0001722700000000, -0.0024189800000000 ] - [ -0.0006391700000000, -0.0033015500000000, -0.0066378200000000 ] - [ 0.0019263600000000, -0.0042713800000000, -0.0213043100000000 ] - [ 0.0095254900000000, -0.0004912700000000, -0.0007745500000000 ] - [ -0.0013508800000000, 0.0004745200000000, -0.0001485100000000 ] - [ -0.0017193200000000, -0.0001774100000000, -0.0009459900000000 ] - [ -0.0014551600000000, 0.0005638500000000, 0.0012352300000000 ] - [ -0.0024344300000000, 0.0007299100000000, -0.0020438900000000 ] - [ -0.0030857500000000, 0.0003068600000000, -0.0011190800000000 ] - [ -0.0036758400000000, 0.0012609000000000, 0.0036441200000000 ] - [ -0.0025521200000000, -0.0011077100000000, -0.0005364100000000 ] - [ -0.0015390300000000, 0.0002096200000000, 0.0011167000000000 ] - [ 0.0001245800000000, 0.0000026300000000, -0.0023504000000000 ] - [ -0.0018070100000000, 0.0000366100000000, 0.0015973800000000 ] - [ -0.0007759100000000, -0.0000355700000000, -0.0011989100000000 ] - [ -0.0012997200000000, -0.0001200100000000, -0.0000222000000000 ] - [ -0.0028707200000000, -0.0001270500000000, -0.0000899200000000 ] - [ -0.0014703600000000, -0.0001983200000000, -0.0012703900000000 ] - [ 0.0006981600000000, 0.0000810300000000, 0.0018784400000000 ] - [ -0.0012999500000000, 0.0002009100000000, 0.0006005700000000 ] - [ -0.0006634100000000, -0.0011282900000000, 0.0024989000000000 ] - [ -0.0017563900000000, -0.0003223000000000, 0.0003269700000000 ] - [ -0.0023440300000000, -0.0003721900000000, -0.0018163600000000 ] - [ -0.0018979900000000, 0.0012662100000000, 0.0007310600000000 ] - [ -0.0008847300000000, 0.0017351100000000, 0.0028690800000000 ] - [ -0.0017866500000000, -0.0004215900000000, -0.0004507300000000 ] - [ -0.0027880400000000, 0.0008516500000000, 0.0000297000000000 ] - [ -0.0005894100000000, -0.0000205100000000, -0.0023990400000000 ] - [ -0.0031837400000000, -0.0006392600000000, -0.0019689800000000 ] - [ -0.0002906100000000, 0.0006381800000000, 0.0024880300000000 ] - [ -0.0026392600000000, -0.0018656500000000, 0.0042527800000000 ] - [ -0.0012841700000000, -0.0000315700000000, 0.0017550000000000 ] - [ -0.0019290800000000, -0.0000546400000000, -0.0006966800000000 ] - [ -0.0018616800000000, 0.0000162500000000, -0.0002649000000000 ]- atom: 21 displacement: [ -0.0099999987502926, 0.0000000000000000, 0.0000049994145799 ] forces: - [ 0.0287239000000000, 0.0137629600000000, -0.0166660200000000 ] - [ 0.0018206500000000, 0.0009354900000000, 0.0204833900000000 ] - [ -0.0019374300000000, 0.0007603200000000, -0.0059822300000000 ] - [ -0.0000718700000000, 0.0005190700000000, 0.0050493400000000 ] - [ -0.0033752900000000, -0.0005207000000000, -0.0058674300000000 ] - [ -0.0148424400000000, 0.0055936000000000, 0.0078202500000000 ] - [ -0.0328123900000000, -0.0051775200000000, -0.0120785600000000 ] - [ -0.0053763600000000, 0.0002210300000000, 0.0045325200000000 ] - [ -0.0025167300000000, 0.0006119100000000, 0.0002179600000000 ] - [ -0.0040561700000000, 0.0000500000000000, -0.0022898300000000 ] - [ -0.0024675000000000, -0.0000390600000000, 0.0027508800000000 ] - [ -0.0021441600000000, -0.0002768100000000, -0.0040639500000000 ] - [ -0.0016794600000000, -0.0006242100000000, 0.0030659200000000 ] - [ -0.0040955900000000, -0.0002539100000000, 0.0007968900000000 ] - [ -0.0046523000000000, 0.0001878200000000, 0.0009688500000000 ] - [ -0.0077077400000000, 0.0014330200000000, -0.0032876300000000 ] - [ 0.0031120500000000, 0.0017472900000000, 0.0004197800000000 ] - [ -0.0001434400000000, -0.0006036500000000, -0.0005043000000000 ] - [ -0.0001634900000000, -0.0004168900000000, -0.0000950500000000 ] - [ 0.0002353300000000, 0.0003638700000000, 0.0002144300000000 ] - [ 0.2555296800000000, -0.0288562200000000, -0.0177432100000000 ] - [ -0.0028522600000000, 0.0014095600000000, 0.0051313700000000 ] - [ -0.0070737100000000, 0.0019825000000000, 0.0149505800000000 ] - [ -0.0063154300000000, 0.0001067400000000, -0.0010532800000000 ] - [ -0.0015787000000000, 0.0006734400000000, 0.0017688900000000 ] - [ 0.0043420200000000, 0.0001534800000000, -0.0084629100000000 ] - [ -0.0123872400000000, -0.0164512700000000, -0.0296486100000000 ] - [ -0.0024211400000000, -0.0011177200000000, 0.0071578400000000 ] - [ 0.0024874800000000, -0.0005098800000000, 0.0003974300000000 ] - [ -0.0026729400000000, 0.0001963500000000, -0.0043005600000000 ] - [ -0.0042146700000000, 0.0000022800000000, -0.0001334600000000 ] - [ -0.0047154100000000, -0.0000739800000000, -0.0040130300000000 ] - [ -0.0033383000000000, -0.0004644700000000, -0.0000048200000000 ] - [ -0.0091743100000000, -0.0008859600000000, 0.0047839400000000 ] - [ 0.0034938600000000, -0.0005227500000000, -0.0063110400000000 ] - [ -0.0014524500000000, -0.0007724700000000, 0.0000899300000000 ] - [ -0.0022471200000000, -0.0003537900000000, 0.0004909800000000 ] - [ -0.0019026600000000, 0.0014798900000000, -0.0026309000000000 ] - [ -0.0015369600000000, 0.0005662100000000, -0.0021752700000000 ] - [ 0.0009482700000000, -0.0008749300000000, 0.0042015300000000 ] - [ -0.0003123400000000, -0.0000645300000000, 0.0014664100000000 ] - [ -0.0014320600000000, -0.0004271600000000, -0.0005979800000000 ] - [ 0.0005606400000000, -0.0003402700000000, -0.0001987600000000 ] - [ -0.0031109100000000, -0.0005889200000000, -0.0020757800000000 ] - [ -0.0006717200000000, -0.0001207900000000, -0.0002272800000000 ] - [ -0.0083051200000000, -0.0026160000000000, 0.0017134500000000 ] - [ -0.0001806500000000, -0.0000155900000000, -0.0005968700000000 ] - [ 0.0003552000000000, -0.0005297600000000, 0.0006010900000000 ] - [ -0.0020686300000000, -0.0008970100000000, 0.0008686800000000 ] - [ 0.0011922500000000, 0.0000777400000000, 0.0003493100000000 ] - [ -0.0007553200000000, -0.0001430500000000, 0.0010271700000000 ] - [ 0.0012285300000000, 0.0000742100000000, -0.0001293300000000 ] - [ -0.0391839500000000, 0.0229341000000000, 0.0182618700000000 ] - [ 0.0027749100000000, 0.0000342700000000, -0.0060459900000000 ] - [ -0.0008333600000000, -0.0008511100000000, 0.0072842900000000 ] - [ 0.0005856300000000, -0.0005529800000000, -0.0017399100000000 ] - [ -0.1172186900000000, 0.0407671000000000, -0.0548789000000000 ] - [ 0.0033422400000000, -0.0021617500000000, 0.0025959400000000 ] - [ 0.0059029600000000, -0.0004759700000000, -0.0028921400000000 ] - [ 0.0055282600000000, 0.0045815700000000, -0.0025139400000000 ] - [ 0.0004536000000000, -0.0001862000000000, -0.0014599100000000 ] - [ 0.0053845000000000, 0.0012105700000000, 0.0056387100000000 ] - [ -0.0008020700000000, -0.0013468200000000, -0.0027746000000000 ] - [ -0.0046993700000000, -0.0009349200000000, 0.0009674600000000 ] - [ 0.0056394000000000, 0.0007031100000000, -0.0010123400000000 ] - [ -0.0016253400000000, 0.0006222000000000, -0.0024099100000000 ] - [ 0.0019594900000000, 0.0004615700000000, 0.0022279600000000 ] - [ -0.0007193600000000, 0.0021110800000000, 0.0059767000000000 ] - [ 0.0003148300000000, -0.0015023200000000, 0.0034266800000000 ] - [ 0.0047669400000000, 0.0044665300000000, 0.0023718900000000 ] - [ 0.0003794500000000, -0.0010163000000000, -0.0038794800000000 ] - [ 0.0071782100000000, -0.0011324400000000, 0.0060716100000000 ] - [ 0.0012677200000000, 0.0011155200000000, 0.0025709500000000 ] - [ -0.0643770500000000, -0.0458725900000000, 0.0452362000000000 ] - [ 0.0040004000000000, -0.0006320400000000, -0.0031783100000000 ] - [ -0.0000967500000000, 0.0003265700000000, -0.0013139000000000 ] - [ 0.0033299400000000, 0.0003430600000000, -0.0046698600000000 ] - [ 0.0006863900000000, 0.0006954700000000, 0.0024333000000000 ] - [ 0.0004741600000000, -0.0003554600000000, 0.0025986200000000 ] - [ 0.0013744100000000, 0.0031482600000000, 0.0065148400000000 ] - [ -0.0021291100000000, 0.0043223200000000, 0.0207406400000000 ] - [ -0.0094120100000000, 0.0004922300000000, 0.0013406800000000 ] - [ 0.0018740400000000, 0.0001032600000000, 0.0000638000000000 ] - [ 0.0021645300000000, 0.0005796900000000, -0.0002612100000000 ] - [ 0.0014737500000000, -0.0000924200000000, -0.0002517800000000 ] - [ 0.0029445500000000, -0.0008769300000000, 0.0023799900000000 ] - [ 0.0029916700000000, -0.0003218300000000, 0.0005890700000000 ] - [ 0.0032449300000000, -0.0008661700000000, -0.0024510400000000 ] - [ 0.0029466900000000, 0.0002343600000000, 0.0005518300000000 ] - [ 0.0023505200000000, 0.0000377500000000, -0.0014093600000000 ] - [ 0.0004204700000000, -0.0004690800000000, 0.0025923400000000 ] - [ 0.0014154300000000, 0.0002018400000000, -0.0010674200000000 ] - [ 0.0009013000000000, 0.0002214000000000, 0.0012438800000000 ] - [ 0.0004958000000000, 0.0003679600000000, 0.0003141800000000 ] - [ 0.0037750900000000, 0.0001180000000000, 0.0001082000000000 ] - [ 0.0010923000000000, -0.0006792800000000, 0.0012597100000000 ] - [ -0.0006788700000000, 0.0001973200000000, -0.0017190700000000 ] - [ 0.0007800800000000, 0.0003756900000000, -0.0005137100000000 ] - [ 0.0003121800000000, 0.0009999400000000, -0.0017981800000000 ] - [ 0.0021592900000000, 0.0007757200000000, -0.0007477500000000 ] - [ 0.0018171400000000, -0.0000921000000000, 0.0015964300000000 ] - [ 0.0018664500000000, -0.0009814700000000, -0.0008885800000000 ] - [ -0.0000300400000000, -0.0017483300000000, -0.0028989200000000 ] - [ 0.0017737000000000, 0.0008938100000000, -0.0005325800000000 ] - [ 0.0026808700000000, -0.0006712200000000, -0.0000729500000000 ] - [ 0.0001033500000000, -0.0001174500000000, 0.0020875300000000 ] - [ 0.0035708600000000, 0.0008722400000000, 0.0014295900000000 ] - [ -0.0001203800000000, -0.0001817800000000, -0.0020687300000000 ] - [ 0.0019198800000000, 0.0016873800000000, -0.0040871000000000 ] - [ 0.0019939600000000, -0.0001463300000000, -0.0019129200000000 ] - [ 0.0022794500000000, -0.0000759500000000, -0.0000045000000000 ] - [ 0.0019671400000000, -0.0000301300000000, 0.0007994300000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0017677600000000, 0.0394524700000000, -0.0063696300000000 ] - [ -0.0005495400000000, -0.0135788700000000, 0.0003338500000000 ] - [ -0.0001337000000000, 0.0003324900000000, -0.0011950900000000 ] - [ -0.0005371700000000, 0.0001674700000000, 0.0007710100000000 ] - [ -0.0004751000000000, -0.0003639500000000, -0.0013150500000000 ] - [ -0.0037016000000000, 0.0318364500000000, -0.0004684900000000 ] - [ -0.0074761700000000, -0.0045561800000000, -0.0013983800000000 ] - [ -0.0003136300000000, -0.0000772900000000, 0.0001336800000000 ] - [ -0.0003804200000000, 0.0004617100000000, 0.0002135300000000 ] - [ -0.0007872500000000, -0.0000833800000000, -0.0004825100000000 ] - [ -0.0004145000000000, 0.0000740000000000, 0.0001494200000000 ] - [ -0.0003006500000000, -0.0000096000000000, -0.0004894200000000 ] - [ -0.0004607500000000, -0.0002465100000000, 0.0002985900000000 ] - [ -0.0004787800000000, 0.0002364600000000, 0.0007828200000000 ] - [ -0.0005150400000000, 0.0001414200000000, 0.0006819900000000 ] - [ -0.0012979600000000, 0.0005912000000000, -0.0007541800000000 ] - [ 0.0000377200000000, -0.0005584000000000, 0.0010504300000000 ] - [ -0.0002114900000000, -0.0003024400000000, -0.0001234900000000 ] - [ 0.0001896000000000, -0.0002454500000000, 0.0000348700000000 ] - [ -0.0001470000000000, -0.0001431300000000, 0.0001246000000000 ] - [ 0.0323369400000000, -0.2483106000000000, 0.0197109700000000 ] - [ -0.0004637600000000, 0.0001743800000000, 0.0003147300000000 ] - [ 0.0022787500000000, 0.0034442700000000, -0.0039558500000000 ] - [ -0.0003142300000000, 0.0000912300000000, 0.0004779900000000 ] - [ -0.0006276000000000, 0.0005114500000000, 0.0003309300000000 ] - [ 0.0008369900000000, -0.0014752200000000, -0.0012718100000000 ] - [ 0.0011355000000000, -0.0087229600000000, -0.0068507100000000 ] - [ -0.0008002000000000, 0.0003708200000000, 0.0007643800000000 ] - [ -0.0012975900000000, -0.0003237200000000, -0.0001144100000000 ] - [ -0.0007048500000000, -0.0000635100000000, -0.0008388500000000 ] - [ -0.0006881800000000, -0.0005109500000000, 0.0004038000000000 ] - [ -0.0012888200000000, 0.0002184500000000, -0.0008964200000000 ] - [ -0.0003037700000000, -0.0000075800000000, 0.0004663400000000 ] - [ -0.0018549700000000, -0.0007792400000000, 0.0012657300000000 ] - [ 0.0009204900000000, 0.0003708200000000, -0.0009190900000000 ] - [ -0.0000851600000000, -0.0005875900000000, -0.0001277300000000 ] - [ 0.0000451900000000, -0.0002104600000000, 0.0001153200000000 ] - [ 0.0001913700000000, 0.0007543500000000, -0.0005130100000000 ] - [ -0.0004527600000000, 0.0001580200000000, -0.0006424700000000 ] - [ -0.0003479100000000, -0.0003616500000000, 0.0006076500000000 ] - [ -0.0002640400000000, 0.0000426700000000, 0.0001931300000000 ] - [ 0.0001462300000000, -0.0005680600000000, -0.0003202700000000 ] - [ 0.0001721500000000, -0.0003857400000000, -0.0001709200000000 ] - [ 0.0008117100000000, -0.0000876300000000, -0.0007494400000000 ] - [ -0.0003375600000000, -0.0001510500000000, -0.0001474000000000 ] - [ -0.0012701200000000, 0.0022739200000000, 0.0002422500000000 ] - [ -0.0001554200000000, 0.0000678800000000, -0.0002302800000000 ] - [ -0.0000608100000000, -0.0004099200000000, 0.0002417900000000 ] - [ -0.0002425100000000, -0.0005052200000000, 0.0000049700000000 ] - [ 0.0003565200000000, -0.0001743800000000, 0.0001878800000000 ] - [ -0.0003150800000000, -0.0001906700000000, -0.0000650100000000 ] - [ 0.0003030100000000, 0.0000782600000000, 0.0000207200000000 ] - [ -0.0264795200000000, 0.0800138000000000, 0.0697421100000000 ] - [ -0.0018255700000000, -0.0010146900000000, 0.0002545000000000 ] - [ -0.0005331200000000, -0.0009432300000000, 0.0018307800000000 ] - [ 0.0005488000000000, -0.0002073800000000, 0.0001669000000000 ] - [ -0.0390176200000000, 0.0354079600000000, -0.0232145800000000 ] - [ 0.0002037200000000, -0.0005303000000000, 0.0007306500000000 ] - [ 0.0002929800000000, -0.0024944200000000, -0.0005066900000000 ] - [ -0.0064542000000000, -0.0038996700000000, 0.0017207000000000 ] - [ 0.0004775200000000, -0.0000697900000000, -0.0002389000000000 ] - [ 0.0012686900000000, 0.0008829100000000, 0.0018859100000000 ] - [ 0.0001027000000000, 0.0013599900000000, 0.0010246500000000 ] - [ -0.0004742600000000, -0.0010744700000000, -0.0028497200000000 ] - [ 0.0010073800000000, -0.0000240900000000, -0.0003997800000000 ] - [ -0.0000388500000000, 0.0000592800000000, -0.0006842600000000 ] - [ 0.0003085600000000, 0.0001480700000000, 0.0005045900000000 ] - [ -0.0004892600000000, 0.0001969000000000, 0.0007445000000000 ] - [ 0.0001359300000000, -0.0002468100000000, 0.0009446100000000 ] - [ 0.0003968800000000, 0.0017512500000000, 0.0006752200000000 ] - [ -0.0000190700000000, 0.0000127200000000, -0.0001274200000000 ] - [ 0.0015595500000000, -0.0000360700000000, 0.0022741100000000 ] - [ -0.0000965700000000, 0.0002416600000000, 0.0004889200000000 ] - [ 0.0409316000000000, 0.0807882500000000, -0.0638405400000000 ] - [ -0.0008490100000000, 0.0013755200000000, -0.0001140600000000 ] - [ -0.0001383900000000, 0.0000157200000000, -0.0003230800000000 ] - [ 0.0032900500000000, 0.0009338600000000, -0.0006932600000000 ] - [ -0.0000958400000000, 0.0002823500000000, 0.0005661300000000 ] - [ -0.0002690600000000, -0.0001268200000000, 0.0005814700000000 ] - [ 0.0004917500000000, 0.0008396600000000, 0.0014096900000000 ] - [ 0.0065603200000000, 0.0059369100000000, 0.0080218200000000 ] - [ 0.0003037600000000, 0.0014955000000000, 0.0022906200000000 ] - [ 0.0004873800000000, 0.0002491900000000, -0.0000942700000000 ] - [ 0.0005955300000000, 0.0002635300000000, -0.0006686300000000 ] - [ 0.0002594600000000, 0.0001582900000000, 0.0002423400000000 ] - [ 0.0007282900000000, -0.0002235600000000, 0.0005718600000000 ] - [ 0.0003924700000000, -0.0000322900000000, -0.0001943500000000 ] - [ 0.0009237100000000, -0.0001111500000000, -0.0001905400000000 ] - [ 0.0006902000000000, -0.0003717700000000, 0.0000708000000000 ] - [ 0.0007499900000000, 0.0001132400000000, -0.0004326000000000 ] - [ 0.0000636000000000, -0.0002072300000000, 0.0004842900000000 ] - [ -0.0005173800000000, 0.0002896100000000, -0.0002388000000000 ] - [ 0.0001564400000000, 0.0000879400000000, 0.0001635400000000 ] - [ -0.0002644800000000, 0.0001606600000000, 0.0000853600000000 ] - [ 0.0008978400000000, -0.0000221100000000, -0.0002237700000000 ] - [ -0.0000343400000000, -0.0004505700000000, 0.0001401800000000 ] - [ 0.0001051900000000, 0.0002349800000000, -0.0001050200000000 ] - [ -0.0001373500000000, 0.0003223400000000, -0.0001301400000000 ] - [ -0.0001942400000000, 0.0001473300000000, 0.0000253100000000 ] - [ 0.0003836300000000, 0.0002958200000000, -0.0003484000000000 ] - [ 0.0000736500000000, -0.0002190100000000, 0.0001926700000000 ] - [ 0.0001772600000000, 0.0000601800000000, -0.0001580700000000 ] - [ -0.0003055900000000, 0.0000846300000000, -0.0001585100000000 ] - [ 0.0002509700000000, 0.0003368400000000, -0.0005697400000000 ] - [ 0.0004362000000000, -0.0000272300000000, -0.0000597000000000 ] - [ -0.0004340900000000, -0.0001951500000000, 0.0002437900000000 ] - [ 0.0005931500000000, 0.0001826800000000, -0.0001547200000000 ] - [ -0.0001478000000000, 0.0000373400000000, -0.0000409000000000 ] - [ 0.0001986300000000, 0.0001950800000000, -0.0004159800000000 ] - [ 0.0005462400000000, -0.0001375800000000, -0.0003017400000000 ] - [ 0.0004559400000000, -0.0001099700000000, -0.0003768400000000 ] - [ 0.0002958300000000, -0.0000454900000000, 0.0002635400000000 ]- atom: 21 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0017200400000000, -0.0385974200000000, 0.0066408600000000 ] - [ 0.0000760900000000, 0.0134368600000000, -0.0010759700000000 ] - [ -0.0001206800000000, 0.0002694100000000, -0.0000344400000000 ] - [ 0.0003201400000000, -0.0000984000000000, -0.0003570400000000 ] - [ 0.0004572300000000, -0.0000866200000000, 0.0013068100000000 ] - [ 0.0037546000000000, -0.0312149800000000, 0.0018618300000000 ] - [ 0.0078779500000000, 0.0043554500000000, 0.0021069100000000 ] - [ 0.0005592200000000, 0.0001426000000000, -0.0005576500000000 ] - [ 0.0003792700000000, 0.0004071400000000, -0.0002177300000000 ] - [ 0.0002584400000000, -0.0000615700000000, -0.0002288200000000 ] - [ 0.0001908900000000, 0.0005223100000000, -0.0013792500000000 ] - [ 0.0000510500000000, 0.0000757000000000, 0.0009023800000000 ] - [ 0.0004743000000000, -0.0002049600000000, -0.0003056600000000 ] - [ 0.0007104300000000, 0.0003629100000000, 0.0004430000000000 ] - [ 0.0010399300000000, -0.0002840800000000, 0.0000253900000000 ] - [ 0.0015141400000000, -0.0005233300000000, 0.0003347400000000 ] - [ 0.0004863200000000, 0.0001744700000000, -0.0009638200000000 ] - [ -0.0002858500000000, -0.0001729100000000, 0.0000213900000000 ] - [ 0.0003043000000000, -0.0001599900000000, 0.0000636500000000 ] - [ -0.0003487500000000, -0.0003295800000000, -0.0002288100000000 ] - [ -0.0289208800000000, 0.2466880100000000, -0.0268014700000000 ] - [ -0.0001438000000000, -0.0001271100000000, -0.0008825400000000 ] - [ -0.0015177700000000, -0.0032232900000000, 0.0049170500000000 ] - [ 0.0009351400000000, -0.0000419900000000, 0.0001008400000000 ] - [ -0.0004372500000000, 0.0006355800000000, -0.0003047200000000 ] - [ -0.0006622400000000, 0.0002849700000000, 0.0004812700000000 ] - [ -0.0004939200000000, 0.0082885500000000, 0.0068092100000000 ] - [ 0.0018787200000000, 0.0007646000000000, -0.0007991700000000 ] - [ 0.0006166300000000, 0.0005277700000000, -0.0009167300000000 ] - [ 0.0000255600000000, -0.0004062700000000, 0.0008792800000000 ] - [ 0.0004927600000000, -0.0006678400000000, 0.0003498700000000 ] - [ 0.0006477300000000, -0.0001669300000000, 0.0003208200000000 ] - [ 0.0009958700000000, 0.0002115600000000, 0.0005498200000000 ] - [ 0.0024859000000000, 0.0008217000000000, -0.0006780700000000 ] - [ -0.0020086900000000, 0.0007727200000000, 0.0009404000000000 ] - [ 0.0002825600000000, -0.0005892800000000, -0.0006364400000000 ] - [ 0.0006214800000000, -0.0002633100000000, -0.0001741300000000 ] - [ 0.0008704200000000, 0.0003952200000000, 0.0004697900000000 ] - [ -0.0002504500000000, 0.0000480600000000, -0.0003860200000000 ] - [ -0.0003014100000000, -0.0001100400000000, -0.0005607400000000 ] - [ -0.0000469600000000, 0.0001139900000000, -0.0003417400000000 ] - [ -0.0004171200000000, -0.0002164400000000, 0.0006400400000000 ] - [ 0.0000826200000000, -0.0004175600000000, -0.0001283000000000 ] - [ -0.0004382900000000, -0.0003684300000000, 0.0010591800000000 ] - [ -0.0000682000000000, -0.0002856500000000, -0.0001601100000000 ] - [ 0.0015651300000000, -0.0024336000000000, -0.0001735300000000 ] - [ -0.0001617800000000, 0.0000883800000000, 0.0000833400000000 ] - [ -0.0001900500000000, -0.0003779100000000, 0.0000763300000000 ] - [ 0.0004957100000000, -0.0002951100000000, -0.0003012700000000 ] - [ 0.0000458900000000, -0.0002638700000000, 0.0001261200000000 ] - [ -0.0000858300000000, -0.0002479600000000, -0.0002411100000000 ] - [ 0.0000133300000000, 0.0000792200000000, 0.0001322300000000 ] - [ 0.0253292600000000, -0.0759465900000000, -0.0659388400000000 ] - [ 0.0022400700000000, 0.0014089400000000, -0.0014699100000000 ] - [ 0.0005683600000000, 0.0014108500000000, -0.0008194100000000 ] - [ -0.0000660700000000, 0.0000713300000000, 0.0001558600000000 ] - [ 0.0397337500000000, -0.0354077300000000, 0.0231631700000000 ] - [ -0.0006332900000000, 0.0009227200000000, 0.0004677900000000 ] - [ 0.0000851000000000, 0.0015893600000000, 0.0005088000000000 ] - [ 0.0071658600000000, 0.0041375300000000, -0.0019946700000000 ] - [ 0.0000609300000000, -0.0003987000000000, 0.0004762900000000 ] - [ -0.0016282200000000, -0.0006448800000000, -0.0013299800000000 ] - [ 0.0000073700000000, -0.0011793800000000, -0.0009783500000000 ] - [ -0.0003344800000000, 0.0013209100000000, 0.0031748500000000 ] - [ -0.0001021600000000, 0.0000225800000000, 0.0004160200000000 ] - [ -0.0003546800000000, -0.0009323400000000, 0.0006704100000000 ] - [ -0.0002670400000000, 0.0001383200000000, -0.0003393100000000 ] - [ -0.0000195900000000, 0.0003963300000000, -0.0006550800000000 ] - [ -0.0004718400000000, 0.0001126200000000, -0.0002297400000000 ] - [ 0.0000242900000000, -0.0012910000000000, -0.0011078600000000 ] - [ -0.0005319200000000, -0.0004737500000000, -0.0000965300000000 ] - [ -0.0015757700000000, 0.0003102200000000, -0.0024397900000000 ] - [ -0.0007954300000000, -0.0002496500000000, -0.0005067100000000 ] - [ -0.0434722000000000, -0.0830922000000000, 0.0660331600000000 ] - [ 0.0007071400000000, -0.0011658200000000, 0.0000664400000000 ] - [ -0.0003562300000000, -0.0001581100000000, 0.0000018000000000 ] - [ -0.0029239900000000, -0.0006950400000000, 0.0001328500000000 ] - [ -0.0002999500000000, 0.0001729500000000, -0.0001397900000000 ] - [ -0.0004416100000000, -0.0000551900000000, -0.0004086700000000 ] - [ 0.0002331900000000, -0.0010197500000000, -0.0015744000000000 ] - [ -0.0061426100000000, -0.0060332200000000, -0.0087340100000000 ] - [ -0.0002025500000000, -0.0015148600000000, -0.0017423100000000 ] - [ 0.0000339100000000, 0.0003289100000000, 0.0000103200000000 ] - [ -0.0001526300000000, 0.0001377900000000, -0.0005368400000000 ] - [ -0.0002447200000000, 0.0003140000000000, 0.0007440800000000 ] - [ -0.0002288800000000, 0.0000798800000000, -0.0002441900000000 ] - [ -0.0004924900000000, 0.0000177400000000, -0.0003369900000000 ] - [ -0.0013648300000000, 0.0005102000000000, 0.0013923000000000 ] - [ -0.0003038000000000, -0.0005027600000000, -0.0000558600000000 ] - [ 0.0000569400000000, 0.0001346700000000, 0.0001435600000000 ] - [ 0.0004873000000000, -0.0002592400000000, -0.0002486300000000 ] - [ 0.0001243800000000, -0.0000535000000000, 0.0007756900000000 ] - [ -0.0000309200000000, 0.0000979000000000, -0.0001200700000000 ] - [ -0.0005410700000000, 0.0000872900000000, 0.0002077800000000 ] - [ 0.0000040600000000, 0.0000129400000000, 0.0002421300000000 ] - [ -0.0003434400000000, -0.0004271600000000, -0.0001518000000000 ] - [ -0.0000841000000000, 0.0000434800000000, 0.0002661800000000 ] - [ -0.0003849600000000, 0.0002537300000000, 0.0002193700000000 ] - [ -0.0001575700000000, -0.0002796900000000, 0.0006822400000000 ] - [ 0.0000176500000000, 0.0001586000000000, -0.0000734000000000 ] - [ -0.0006088500000000, -0.0002454000000000, -0.0004184100000000 ] - [ -0.0002108800000000, 0.0002248400000000, -0.0000002700000000 ] - [ -0.0006047000000000, -0.0000917600000000, 0.0001357700000000 ] - [ -0.0002663800000000, 0.0001345500000000, -0.0004123900000000 ] - [ -0.0005529600000000, 0.0002097500000000, 0.0000177700000000 ] - [ -0.0000455100000000, 0.0000586300000000, -0.0005612800000000 ] - [ -0.0002100900000000, 0.0000493400000000, -0.0003863800000000 ] - [ -0.0002640900000000, 0.0004215000000000, 0.0004671900000000 ] - [ -0.0009188700000000, -0.0003727800000000, 0.0005872000000000 ] - [ 0.0001644400000000, -0.0000408200000000, 0.0001403500000000 ] - [ -0.0001088300000000, -0.0000219000000000, -0.0003263400000000 ] - [ -0.0001935700000000, 0.0000320900000000, 0.0002715500000000 ]- atom: 21 displacement: [ -0.0057565208649526, 0.0000000000000000, 0.0081769473235044 ] forces: - [ 0.0297371700000000, 0.0037640000000000, 0.0032248200000000 ] - [ -0.0138314500000000, 0.0004465000000000, 0.0287434200000000 ] - [ 0.0027016000000000, 0.0006688800000000, -0.0024320600000000 ] - [ -0.0034788400000000, 0.0003264600000000, 0.0059771300000000 ] - [ 0.0013663800000000, -0.0002370500000000, -0.0011118900000000 ] - [ -0.0211036700000000, -0.0010666400000000, -0.0157954300000000 ] - [ -0.0088985900000000, -0.0015801000000000, -0.0085796300000000 ] - [ -0.0052775300000000, 0.0001798100000000, 0.0002718300000000 ] - [ -0.0012529700000000, 0.0004747700000000, 0.0008235500000000 ] - [ -0.0011730500000000, 0.0001435900000000, -0.0003467200000000 ] - [ -0.0033997400000000, 0.0004631700000000, 0.0024098000000000 ] - [ 0.0013414600000000, 0.0001104500000000, -0.0001519300000000 ] - [ -0.0042370400000000, -0.0005038100000000, 0.0025642500000000 ] - [ -0.0016643700000000, -0.0000002800000000, 0.0005258600000000 ] - [ -0.0032040600000000, 0.0000532200000000, 0.0002867800000000 ] - [ -0.0005988100000000, 0.0001834900000000, -0.0036154300000000 ] - [ 0.0015994500000000, 0.0009426800000000, 0.0025137400000000 ] - [ -0.0001492400000000, -0.0004165400000000, 0.0003025900000000 ] - [ 0.0001576400000000, -0.0003244500000000, 0.0002291700000000 ] - [ 0.0000953100000000, 0.0000496800000000, 0.0010975000000000 ] - [ 0.1633289500000000, 0.0011208900000000, -0.2400155800000000 ] - [ -0.0056194000000000, 0.0012685000000000, 0.0031962600000000 ] - [ -0.0062255500000000, -0.0004717600000000, -0.0008404200000000 ] - [ -0.0021628900000000, 0.0002368500000000, -0.0018113400000000 ] - [ -0.0029747300000000, 0.0007850200000000, 0.0027564100000000 ] - [ 0.0091791200000000, 0.0005668700000000, 0.0014291600000000 ] - [ 0.0066826900000000, -0.0033572500000000, -0.0072203000000000 ] - [ -0.0092451900000000, -0.0022168000000000, 0.0082373500000000 ] - [ -0.0003289500000000, -0.0003168300000000, 0.0040532800000000 ] - [ 0.0009811100000000, -0.0006927500000000, 0.0006454900000000 ] - [ -0.0020482400000000, -0.0002267700000000, 0.0003658200000000 ] - [ -0.0002357400000000, -0.0002693100000000, -0.0017340400000000 ] - [ -0.0010320700000000, -0.0003673700000000, 0.0001825400000000 ] - [ -0.0065115700000000, -0.0010062300000000, -0.0024917600000000 ] - [ 0.0033805600000000, 0.0006646900000000, -0.0005457800000000 ] - [ -0.0011804800000000, -0.0009024400000000, 0.0013068400000000 ] - [ -0.0015333300000000, -0.0000269500000000, 0.0003478400000000 ] - [ 0.0006512300000000, 0.0005792100000000, -0.0004797700000000 ] - [ 0.0000068100000000, 0.0000292400000000, 0.0003753700000000 ] - [ -0.0011277800000000, -0.0011047000000000, 0.0049150200000000 ] - [ -0.0008459900000000, 0.0000949100000000, -0.0002823200000000 ] - [ -0.0001723300000000, -0.0008859700000000, -0.0012611300000000 ] - [ 0.0004148900000000, -0.0001920200000000, -0.0005565900000000 ] - [ 0.0000350600000000, 0.0004415000000000, -0.0016033700000000 ] - [ 0.0001311600000000, -0.0001685700000000, -0.0017768100000000 ] - [ -0.0078824300000000, -0.0023847300000000, 0.0026363500000000 ] - [ 0.0002306800000000, 0.0000299800000000, -0.0013446100000000 ] - [ -0.0001374900000000, -0.0003851500000000, 0.0000505400000000 ] - [ -0.0013823000000000, -0.0007102600000000, -0.0006267400000000 ] - [ 0.0004810200000000, -0.0001388800000000, 0.0002245200000000 ] - [ -0.0004938400000000, -0.0000508200000000, -0.0006249800000000 ] - [ 0.0006950500000000, 0.0000321700000000, -0.0001888100000000 ] - [ -0.0417303100000000, 0.0689574100000000, 0.0941582600000000 ] - [ 0.0046041700000000, 0.0015655400000000, -0.0040313000000000 ] - [ -0.0035608000000000, -0.0003337800000000, 0.0041262300000000 ] - [ 0.0033227000000000, -0.0013902100000000, -0.0006036300000000 ] - [ -0.0208806200000000, 0.0002687500000000, 0.0196277000000000 ] - [ 0.0001193000000000, -0.0004470800000000, 0.0025971000000000 ] - [ 0.0032012600000000, 0.0000087500000000, 0.0016713900000000 ] - [ -0.0006809200000000, 0.0032624800000000, 0.0072315200000000 ] - [ 0.0014571100000000, -0.0000687100000000, -0.0021018700000000 ] - [ 0.0004139300000000, 0.0005278300000000, 0.0022111800000000 ] - [ 0.0015822800000000, -0.0010096300000000, -0.0040211100000000 ] - [ -0.0009559100000000, -0.0005852400000000, -0.0030290400000000 ] - [ 0.0046869000000000, 0.0006606800000000, 0.0021693200000000 ] - [ 0.0005793200000000, 0.0005275600000000, -0.0030126600000000 ] - [ -0.0009261200000000, -0.0002571600000000, 0.0000281800000000 ] - [ -0.0042156700000000, 0.0019382400000000, 0.0008621600000000 ] - [ -0.0024124900000000, -0.0002873000000000, -0.0002741300000000 ] - [ 0.0003992200000000, -0.0017272700000000, 0.0054601300000000 ] - [ 0.0025972700000000, 0.0005813500000000, -0.0016014700000000 ] - [ -0.0008604700000000, 0.0009171700000000, 0.0017986700000000 ] - [ -0.0009802200000000, 0.0004689500000000, 0.0006420000000000 ] - [ -0.0680861800000000, -0.0752878000000000, 0.0972498900000000 ] - [ 0.0021649100000000, -0.0005440400000000, 0.0010899900000000 ] - [ 0.0009139500000000, 0.0007871400000000, -0.0013482300000000 ] - [ 0.0077045100000000, 0.0003132400000000, 0.0000162900000000 ] - [ -0.0009289100000000, 0.0005311900000000, 0.0004790200000000 ] - [ -0.0009824900000000, -0.0000627500000000, 0.0004462300000000 ] - [ -0.0007317300000000, 0.0007705000000000, 0.0022070300000000 ] - [ -0.0119129200000000, 0.0056722900000000, 0.0137967900000000 ] - [ -0.0086379600000000, -0.0004605900000000, -0.0066698100000000 ] - [ 0.0009483200000000, 0.0001387700000000, -0.0002265500000000 ] - [ 0.0004126400000000, 0.0001600200000000, -0.0002127700000000 ] - [ 0.0011559500000000, -0.0001931100000000, -0.0005025400000000 ] - [ 0.0002365300000000, 0.0001712700000000, 0.0007241300000000 ] - [ 0.0015369800000000, -0.0000619000000000, -0.0000008200000000 ] - [ 0.0026217300000000, -0.0001439300000000, -0.0007046800000000 ] - [ 0.0016426400000000, -0.0001407100000000, 0.0008586300000000 ] - [ 0.0013949300000000, 0.0000172200000000, -0.0007812700000000 ] - [ -0.0009760700000000, -0.0000847800000000, 0.0000614000000000 ] - [ 0.0024327900000000, -0.0004295100000000, 0.0002533500000000 ] - [ -0.0002181100000000, -0.0000658400000000, -0.0000101700000000 ] - [ -0.0000427600000000, 0.0001838200000000, -0.0004517700000000 ] - [ 0.0021202800000000, -0.0003109000000000, 0.0008764800000000 ] - [ -0.0004374300000000, -0.0002952000000000, -0.0001015300000000 ] - [ 0.0008843100000000, 0.0009361400000000, -0.0016882500000000 ] - [ 0.0006259300000000, 0.0005830700000000, -0.0008305500000000 ] - [ 0.0008443900000000, 0.0009404200000000, -0.0018408100000000 ] - [ 0.0015009900000000, 0.0006638300000000, -0.0003470700000000 ] - [ -0.0002448900000000, -0.0003526000000000, 0.0004951700000000 ] - [ 0.0018006600000000, -0.0007491300000000, -0.0002342600000000 ] - [ 0.0013757800000000, -0.0015306600000000, -0.0022490100000000 ] - [ 0.0007264500000000, 0.0005119100000000, -0.0006792800000000 ] - [ 0.0007975900000000, 0.0000882800000000, 0.0005419900000000 ] - [ -0.0016628600000000, -0.0005802400000000, -0.0002281200000000 ] - [ 0.0013463400000000, 0.0005198600000000, 0.0005661300000000 ] - [ 0.0010878600000000, -0.0005652200000000, -0.0022662600000000 ] - [ 0.0042795200000000, 0.0023582500000000, -0.0046101900000000 ] - [ 0.0027056100000000, -0.0006361900000000, -0.0018422200000000 ] - [ 0.0011905300000000, -0.0000075500000000, -0.0000891500000000 ] - [ 0.0008625800000000, -0.0000750600000000, 0.0000883200000000 ]- atom: 21 displacement: [ 0.0057565208649526, 0.0000000000000000, -0.0081769473235044 ] forces: - [ -0.0297103400000000, -0.0028541600000000, -0.0034093300000000 ] - [ 0.0131759600000000, -0.0006027100000000, -0.0291568700000000 ] - [ -0.0029571800000000, -0.0000669000000000, 0.0011912200000000 ] - [ 0.0032647800000000, -0.0002635100000000, -0.0055769900000000 ] - [ -0.0013683500000000, -0.0002072300000000, 0.0011303800000000 ] - [ 0.0213975000000000, 0.0016647500000000, 0.0169696800000000 ] - [ 0.0092565100000000, 0.0013946200000000, 0.0093170000000000 ] - [ 0.0055490200000000, -0.0001121800000000, -0.0006564100000000 ] - [ 0.0012505400000000, 0.0003929700000000, -0.0008324100000000 ] - [ 0.0006407000000000, -0.0002880700000000, -0.0003653600000000 ] - [ 0.0031676400000000, 0.0001367100000000, -0.0036552900000000 ] - [ -0.0015915700000000, -0.0000444900000000, 0.0005719600000000 ] - [ 0.0042759200000000, 0.0000603000000000, -0.0025676700000000 ] - [ 0.0018968300000000, 0.0006001200000000, 0.0007065300000000 ] - [ 0.0037316000000000, -0.0001970600000000, 0.0004078500000000 ] - [ 0.0008608800000000, -0.0001265500000000, 0.0031950800000000 ] - [ -0.0011335900000000, -0.0013711600000000, -0.0024129900000000 ] - [ -0.0003436000000000, -0.0000596500000000, -0.0004037600000000 ] - [ 0.0003460800000000, -0.0000782400000000, -0.0001252800000000 ] - [ -0.0005976800000000, -0.0005263200000000, -0.0012055800000000 ] - [ -0.1590482000000000, -0.0016769700000000, 0.2341350500000000 ] - [ 0.0049975700000000, -0.0012196800000000, -0.0037771300000000 ] - [ 0.0069394700000000, 0.0006939700000000, 0.0019940700000000 ] - [ 0.0027736000000000, -0.0001892300000000, 0.0024028100000000 ] - [ 0.0019279000000000, 0.0003603500000000, -0.0027182300000000 ] - [ -0.0089278200000000, -0.0017310800000000, -0.0022218200000000 ] - [ -0.0059696700000000, 0.0029602900000000, 0.0073068600000000 ] - [ 0.0104161900000000, 0.0033897500000000, -0.0083398500000000 ] - [ -0.0003420500000000, 0.0005163300000000, -0.0050818000000000 ] - [ -0.0016494900000000, 0.0002225700000000, -0.0005967700000000 ] - [ 0.0018563700000000, -0.0009519700000000, 0.0003870400000000 ] - [ -0.0004133500000000, 0.0003228500000000, 0.0011590200000000 ] - [ 0.0017357500000000, 0.0005700700000000, 0.0008282800000000 ] - [ 0.0071344000000000, 0.0010560500000000, 0.0030110600000000 ] - [ -0.0044947300000000, 0.0004798500000000, 0.0006067600000000 ] - [ 0.0013672400000000, -0.0002757500000000, -0.0020763900000000 ] - [ 0.0022120000000000, -0.0004458600000000, -0.0003944100000000 ] - [ 0.0004260600000000, 0.0005649100000000, 0.0004369800000000 ] - [ -0.0007171700000000, 0.0001756500000000, -0.0013980300000000 ] - [ 0.0004604800000000, 0.0006419000000000, -0.0048918900000000 ] - [ 0.0005440700000000, 0.0000491000000000, 0.0001291700000000 ] - [ -0.0000622600000000, 0.0001025200000000, 0.0015810600000000 ] - [ -0.0001764200000000, -0.0006050300000000, 0.0002585100000000 ] - [ 0.0004691600000000, -0.0008977600000000, 0.0018442000000000 ] - [ -0.0005504000000000, -0.0002591200000000, 0.0014620600000000 ] - [ 0.0082267900000000, 0.0025344200000000, -0.0025354100000000 ] - [ -0.0005284200000000, 0.0001165300000000, 0.0011921800000000 ] - [ -0.0001062400000000, -0.0004004900000000, 0.0002583600000000 ] - [ 0.0016428800000000, -0.0000777000000000, 0.0003226400000000 ] - [ -0.0000770700000000, -0.0002935100000000, 0.0000944700000000 ] - [ 0.0000903100000000, -0.0003815600000000, 0.0003032100000000 ] - [ -0.0003957300000000, 0.0001156700000000, 0.0003440400000000 ] - [ 0.0411872800000000, -0.0644359000000000, -0.0911065300000000 ] - [ -0.0041709500000000, -0.0011452100000000, 0.0028367100000000 ] - [ 0.0035893500000000, 0.0008149900000000, -0.0030915300000000 ] - [ -0.0028581400000000, 0.0012526800000000, 0.0009246700000000 ] - [ 0.0205180700000000, -0.0002207000000000, -0.0201810500000000 ] - [ -0.0005392900000000, 0.0008343300000000, -0.0013974100000000 ] - [ -0.0028183200000000, -0.0008807300000000, -0.0017058400000000 ] - [ 0.0015500800000000, -0.0030236300000000, -0.0076065200000000 ] - [ -0.0009371700000000, -0.0003946500000000, 0.0023350400000000 ] - [ -0.0007659100000000, -0.0002876000000000, -0.0016446400000000 ] - [ -0.0014783500000000, 0.0011724900000000, 0.0040554300000000 ] - [ 0.0001248400000000, 0.0008148900000000, 0.0033549700000000 ] - [ -0.0038076600000000, -0.0006773800000000, -0.0021271100000000 ] - [ -0.0009757600000000, -0.0013838200000000, 0.0029917600000000 ] - [ 0.0009645100000000, 0.0005478500000000, 0.0001339000000000 ] - [ 0.0037100800000000, -0.0013608400000000, -0.0007483200000000 ] - [ 0.0020675700000000, 0.0001574600000000, 0.0009875300000000 ] - [ -0.0000152400000000, 0.0021533800000000, -0.0058810000000000 ] - [ -0.0031622000000000, -0.0010606200000000, 0.0013650000000000 ] - [ 0.0007775200000000, -0.0006223100000000, -0.0020080000000000 ] - [ 0.0000859800000000, -0.0004785200000000, -0.0006573700000000 ] - [ 0.0651206300000000, 0.0710196400000000, -0.0945949400000000 ] - [ -0.0022828200000000, 0.0007282500000000, -0.0011785300000000 ] - [ -0.0014247300000000, -0.0009387400000000, 0.0010232300000000 ] - [ -0.0072872800000000, -0.0000961700000000, -0.0005425000000000 ] - [ 0.0005330600000000, -0.0000813400000000, -0.0000563700000000 ] - [ 0.0002692500000000, -0.0001207800000000, -0.0002808900000000 ] - [ 0.0014514000000000, -0.0009632800000000, -0.0023966500000000 ] - [ 0.0120404800000000, -0.0057265100000000, -0.0146330800000000 ] - [ 0.0086603300000000, 0.0004721500000000, 0.0071680400000000 ] - [ -0.0004310900000000, 0.0004436500000000, 0.0001451500000000 ] - [ 0.0000361500000000, 0.0002428900000000, -0.0009974300000000 ] - [ -0.0011412800000000, 0.0006629900000000, 0.0014926900000000 ] - [ 0.0002540900000000, -0.0003143500000000, -0.0004030300000000 ] - [ -0.0016397100000000, 0.0000463400000000, -0.0005264700000000 ] - [ -0.0030669600000000, 0.0005462800000000, 0.0019250800000000 ] - [ -0.0012600900000000, -0.0007308600000000, -0.0008379800000000 ] - [ -0.0005923700000000, 0.0002294100000000, 0.0005024900000000 ] - [ 0.0015225800000000, -0.0003789400000000, 0.0001646500000000 ] - [ -0.0028180100000000, 0.0006634300000000, 0.0002998300000000 ] - [ 0.0003415900000000, 0.0002469100000000, 0.0000505300000000 ] - [ -0.0007606400000000, 0.0000631200000000, 0.0007387600000000 ] - [ -0.0012138700000000, 0.0003036400000000, -0.0008698100000000 ] - [ 0.0000588600000000, -0.0005777900000000, 0.0000884700000000 ] - [ -0.0008544400000000, -0.0006523300000000, 0.0018591700000000 ] - [ -0.0011424400000000, -0.0000025800000000, 0.0009200700000000 ] - [ -0.0011880200000000, -0.0010744900000000, 0.0025613400000000 ] - [ -0.0011055200000000, -0.0002162100000000, -0.0000790500000000 ] - [ -0.0002945900000000, -0.0001123600000000, -0.0007259800000000 ] - [ -0.0018483600000000, 0.0010409600000000, 0.0000638300000000 ] - [ -0.0022838600000000, 0.0015256300000000, 0.0022364200000000 ] - [ -0.0007404400000000, -0.0000418100000000, -0.0003036200000000 ] - [ -0.0009211100000000, 0.0000937000000000, -0.0005756900000000 ] - [ 0.0011788700000000, 0.0004377100000000, -0.0001006400000000 ] - [ -0.0009588900000000, -0.0002867600000000, -0.0011124800000000 ] - [ -0.0014905800000000, 0.0010184300000000, 0.0026970500000000 ] - [ -0.0050311500000000, -0.0025617900000000, 0.0048031000000000 ] - [ -0.0020072400000000, 0.0004580400000000, 0.0016754200000000 ] - [ -0.0008466100000000, -0.0001226800000000, -0.0006235100000000 ] - [ -0.0007544100000000, 0.0000621300000000, 0.0004457500000000 ]- atom: 22 displacement: [ 0.0099999987502926, 0.0000000000000000, -0.0000049994145799 ] forces: - [ 0.0055117900000000, 0.0007761900000000, -0.0036010900000000 ] - [ 0.0145728000000000, 0.0144674900000000, -0.0026863800000000 ] - [ 0.0032659400000000, 0.0001047700000000, -0.0005901700000000 ] - [ -0.0157761100000000, 0.0009460200000000, 0.0042504700000000 ] - [ 0.0003062600000000, -0.0004677000000000, 0.0000434800000000 ] - [ 0.0022955100000000, -0.0081421400000000, -0.0205020200000000 ] - [ 0.0035705500000000, 0.0001550200000000, -0.0005877000000000 ] - [ 0.0004049600000000, -0.0002812900000000, -0.0005153400000000 ] - [ 0.0042465700000000, 0.0009317200000000, 0.0020509500000000 ] - [ 0.0041918300000000, -0.0004712400000000, 0.0002429200000000 ] - [ 0.0157371700000000, -0.0214275400000000, -0.0144234300000000 ] - [ 0.0021769600000000, 0.0003340900000000, 0.0000782100000000 ] - [ -0.0035684900000000, 0.0001338800000000, -0.0005417800000000 ] - [ 0.0025457400000000, 0.0004539300000000, 0.0015329900000000 ] - [ 0.0184953200000000, 0.0073561700000000, 0.0185829300000000 ] - [ -0.0031155100000000, 0.0004585800000000, 0.0019287700000000 ] - [ 0.0005076700000000, -0.0001099800000000, -0.0010132600000000 ] - [ 0.0003599000000000, -0.0006143600000000, 0.0008918300000000 ] - [ 0.0005636700000000, -0.0002274100000000, 0.0008948700000000 ] - [ 0.0002072800000000, -0.0005407800000000, -0.0011944900000000 ] - [ 0.0024444600000000, -0.0007486100000000, -0.0043268100000000 ] - [ -0.2659439100000000, 0.0076210800000000, 0.0381571500000000 ] - [ 0.0017003400000000, 0.0001781700000000, -0.0018114300000000 ] - [ 0.0026105300000000, 0.0001798000000000, 0.0003066600000000 ] - [ -0.0024335300000000, 0.0006533600000000, 0.0042358500000000 ] - [ 0.0067322400000000, 0.0000350700000000, 0.0012677000000000 ] - [ -0.0020150800000000, -0.0006847200000000, -0.0041183200000000 ] - [ 0.0015116200000000, 0.0013953700000000, -0.0037069100000000 ] - [ 0.0111139100000000, -0.0121134000000000, 0.0093202800000000 ] - [ 0.0021236000000000, -0.0007654600000000, 0.0019579700000000 ] - [ 0.0043021100000000, -0.0015570600000000, 0.0035791600000000 ] - [ 0.0025303500000000, -0.0001221600000000, -0.0001781300000000 ] - [ 0.0009225600000000, -0.0002133700000000, 0.0046382600000000 ] - [ -0.0308208900000000, -0.0037233000000000, 0.0053361500000000 ] - [ 0.0014033400000000, 0.0001452000000000, -0.0021358800000000 ] - [ 0.0095319200000000, 0.0015778800000000, -0.0020622500000000 ] - [ 0.0014542500000000, 0.0006158300000000, 0.0023725700000000 ] - [ 0.0009685900000000, 0.0003763000000000, 0.0020341700000000 ] - [ 0.0021056400000000, -0.0000516900000000, -0.0020806800000000 ] - [ -0.0073673000000000, 0.0050528500000000, -0.0148536000000000 ] - [ -0.0013591000000000, 0.0000184500000000, -0.0005409200000000 ] - [ -0.0005911400000000, -0.0001592900000000, 0.0013172100000000 ] - [ -0.0000766700000000, -0.0001292300000000, -0.0010869600000000 ] - [ -0.0005868500000000, -0.0002684000000000, 0.0016859100000000 ] - [ -0.0011699600000000, 0.0002200800000000, -0.0031223800000000 ] - [ -0.0004026500000000, -0.0001406800000000, 0.0023811400000000 ] - [ -0.0015561800000000, 0.0006525100000000, 0.0023411500000000 ] - [ -0.0006468600000000, -0.0004049800000000, -0.0005278000000000 ] - [ -0.0002806200000000, -0.0006726300000000, 0.0007097600000000 ] - [ 0.0001163600000000, -0.0003915000000000, -0.0011551400000000 ] - [ -0.0015102800000000, 0.0000001400000000, 0.0013692100000000 ] - [ -0.0003522000000000, 0.0000344400000000, -0.0008400400000000 ] - [ -0.0015872500000000, 0.0012591500000000, 0.0028548900000000 ] - [ 0.1060366400000000, 0.0522345600000000, -0.0815610700000000 ] - [ -0.0022896200000000, 0.0009301600000000, 0.0009017300000000 ] - [ 0.0008287600000000, -0.0004298000000000, 0.0009881000000000 ] - [ -0.0024336500000000, -0.0005571100000000, 0.0004659500000000 ] - [ -0.0016850500000000, 0.0005366100000000, 0.0012273800000000 ] - [ -0.0005458100000000, -0.0005473900000000, 0.0003647800000000 ] - [ -0.0013334200000000, 0.0002647000000000, 0.0021540400000000 ] - [ 0.0018458300000000, 0.0008732000000000, -0.0030148000000000 ] - [ -0.0020279300000000, 0.0004061100000000, -0.0001980000000000 ] - [ 0.0053037200000000, 0.0041393600000000, -0.0034410100000000 ] - [ -0.0056981500000000, 0.0000960300000000, 0.0008964500000000 ] - [ 0.0072475000000000, 0.0020647700000000, -0.0005849400000000 ] - [ -0.0089911300000000, 0.0006121600000000, -0.0133225200000000 ] - [ -0.0014788600000000, -0.0004601700000000, -0.0004065500000000 ] - [ -0.0024868900000000, 0.0000703800000000, 0.0003351700000000 ] - [ -0.0022946800000000, 0.0002497700000000, -0.0009516800000000 ] - [ 0.0030551400000000, -0.0010295700000000, 0.0020778100000000 ] - [ 0.0001175800000000, 0.0001764200000000, 0.0011095200000000 ] - [ 0.0017588500000000, -0.0007569900000000, 0.0004245900000000 ] - [ -0.0019650200000000, 0.0001164500000000, -0.0001790600000000 ] - [ -0.0028467400000000, -0.0008801000000000, 0.0031332900000000 ] - [ -0.0009300200000000, 0.0002321300000000, 0.0006735600000000 ] - [ 0.0016470800000000, 0.0003778200000000, -0.0010659800000000 ] - [ 0.0136672900000000, 0.0044970800000000, 0.0088325800000000 ] - [ -0.0014246100000000, 0.0003537900000000, -0.0002055000000000 ] - [ -0.0005874400000000, 0.0004411200000000, -0.0008988700000000 ] - [ 0.0002232000000000, 0.0009056200000000, 0.0012930100000000 ] - [ 0.0022348900000000, 0.0032194100000000, 0.0035424600000000 ] - [ -0.0059493100000000, -0.0002589300000000, -0.0008343800000000 ] - [ -0.0014024300000000, 0.0001788300000000, -0.0009209200000000 ] - [ -0.0013016200000000, -0.0003175200000000, -0.0003249400000000 ] - [ -0.0043314800000000, -0.0001572400000000, 0.0005157100000000 ] - [ 0.0000941000000000, -0.0000881600000000, -0.0004048300000000 ] - [ -0.0063582800000000, 0.0002537600000000, -0.0028578700000000 ] - [ 0.0073746900000000, -0.0042066000000000, -0.0093360100000000 ] - [ 0.0019617600000000, -0.0017938200000000, -0.0026388100000000 ] - [ -0.0005723700000000, 0.0011042200000000, -0.0031689900000000 ] - [ -0.0003706500000000, -0.0003331700000000, 0.0007445200000000 ] - [ 0.1003617200000000, -0.0428470800000000, 0.0591102700000000 ] - [ -0.0013814100000000, -0.0003169900000000, 0.0004072900000000 ] - [ -0.0024490200000000, 0.0001212600000000, 0.0016296600000000 ] - [ -0.0005810700000000, -0.0000815500000000, -0.0000861600000000 ] - [ -0.0016151400000000, -0.0000797000000000, -0.0000258600000000 ] - [ 0.0062672900000000, 0.0026900100000000, 0.0023899800000000 ] - [ -0.0050765500000000, 0.0004293100000000, 0.0008480500000000 ] - [ -0.0056293600000000, -0.0048236100000000, 0.0141242700000000 ] - [ -0.0003428100000000, 0.0003511400000000, -0.0009116300000000 ] - [ -0.0004492200000000, -0.0007164300000000, -0.0016746400000000 ] - [ -0.0003728700000000, 0.0003212800000000, -0.0004237000000000 ] - [ 0.0275892400000000, -0.0044954600000000, -0.0007246900000000 ] - [ -0.0021790500000000, -0.0001689000000000, -0.0012948800000000 ] - [ 0.0010656400000000, 0.0014058300000000, -0.0042616600000000 ] - [ -0.0009256200000000, -0.0003115900000000, 0.0000049700000000 ] - [ -0.0016127800000000, 0.0000509000000000, -0.0010661200000000 ] - [ 0.0064872700000000, -0.0008428200000000, 0.0025411800000000 ] - [ 0.0018645500000000, -0.0022773700000000, 0.0031223400000000 ] - [ 0.0017729300000000, -0.0012161800000000, -0.0020604500000000 ] - [ -0.0013913500000000, -0.0004633000000000, -0.0018611300000000 ] - [ -0.0048654400000000, -0.0009512300000000, -0.0013107200000000 ]- atom: 22 displacement: [ -0.0099999987502926, 0.0000000000000000, 0.0000049994145799 ] forces: - [ -0.0054991300000000, 0.0001005700000000, 0.0035644800000000 ] - [ -0.0150767900000000, -0.0144624000000000, 0.0018819700000000 ] - [ -0.0034929200000000, 0.0004938900000000, -0.0006365800000000 ] - [ 0.0154198500000000, -0.0009004000000000, -0.0039600900000000 ] - [ -0.0003019900000000, 0.0000180000000000, -0.0000304000000000 ] - [ -0.0021044000000000, 0.0087681600000000, 0.0216798200000000 ] - [ -0.0030500100000000, -0.0002999400000000, 0.0012853300000000 ] - [ -0.0001730700000000, 0.0003488400000000, 0.0000923000000000 ] - [ -0.0042426100000000, -0.0000680400000000, -0.0020693000000000 ] - [ -0.0047169100000000, 0.0003289000000000, -0.0009497000000000 ] - [ -0.0159700100000000, 0.0222789000000000, 0.0132402200000000 ] - [ -0.0024081700000000, -0.0002657500000000, 0.0003522400000000 ] - [ 0.0035613200000000, -0.0005791800000000, 0.0005378300000000 ] - [ -0.0023082400000000, 0.0001450400000000, -0.0003082400000000 ] - [ -0.0180038200000000, -0.0074889100000000, -0.0179830500000000 ] - [ 0.0033600200000000, -0.0003935400000000, -0.0023207900000000 ] - [ -0.0000170400000000, -0.0002974600000000, 0.0011173900000000 ] - [ -0.0008488200000000, 0.0001363900000000, -0.0009856100000000 ] - [ -0.0000712300000000, -0.0001775100000000, -0.0007943600000000 ] - [ -0.0007021000000000, 0.0000673600000000, 0.0011004400000000 ] - [ -0.0026576800000000, -0.0004272300000000, 0.0050681000000000 ] - [ 0.2665267500000000, -0.0122122400000000, -0.0297656100000000 ] - [ -0.0010066200000000, 0.0000257500000000, 0.0028253000000000 ] - [ -0.0019857700000000, -0.0001315400000000, 0.0002613100000000 ] - [ 0.0013494300000000, 0.0004933300000000, -0.0041864300000000 ] - [ -0.0065160400000000, -0.0012130800000000, -0.0020235400000000 ] - [ 0.0026762400000000, 0.0002124800000000, 0.0040844200000000 ] - [ -0.0004467300000000, -0.0002523700000000, 0.0036731000000000 ] - [ -0.0116935800000000, 0.0121524200000000, -0.0102340700000000 ] - [ -0.0027783900000000, 0.0002912100000000, -0.0018935100000000 ] - [ -0.0044838700000000, 0.0003798400000000, -0.0028261300000000 ] - [ -0.0031516200000000, 0.0001698100000000, -0.0003920000000000 ] - [ -0.0002073000000000, 0.0004228700000000, -0.0036116900000000 ] - [ 0.0314735900000000, 0.0036331100000000, -0.0046902500000000 ] - [ -0.0024836900000000, 0.0010044000000000, 0.0021877700000000 ] - [ -0.0093973000000000, -0.0027632200000000, 0.0012976300000000 ] - [ -0.0007878100000000, -0.0010869700000000, -0.0024249000000000 ] - [ 0.0001102700000000, 0.0007669200000000, -0.0020595000000000 ] - [ -0.0028041200000000, 0.0002548100000000, 0.0010686900000000 ] - [ 0.0068055300000000, -0.0056043800000000, 0.0149914500000000 ] - [ 0.0010470100000000, 0.0001312300000000, 0.0003802900000000 ] - [ 0.0003423300000000, -0.0006292800000000, -0.0010044900000000 ] - [ 0.0003203400000000, -0.0006650100000000, 0.0007801100000000 ] - [ 0.0009891000000000, -0.0001702000000000, -0.0013749000000000 ] - [ 0.0007546800000000, -0.0006476200000000, 0.0027878700000000 ] - [ 0.0007230000000000, 0.0003007500000000, -0.0022340500000000 ] - [ 0.0012496700000000, -0.0005044600000000, -0.0024994500000000 ] - [ 0.0004004600000000, -0.0003835500000000, 0.0008355000000000 ] - [ 0.0005350700000000, -0.0001278400000000, -0.0010126000000000 ] - [ 0.0002865900000000, -0.0000441400000000, 0.0014685100000000 ] - [ 0.0011078800000000, -0.0004338800000000, -0.0016929600000000 ] - [ 0.0006570100000000, 0.0001169200000000, 0.0009943600000000 ] - [ 0.0021160900000000, -0.0006780500000000, -0.0029206300000000 ] - [ -0.1022566700000000, -0.0495240800000000, 0.0760039400000000 ] - [ 0.0023026700000000, -0.0004569000000000, 0.0000868500000000 ] - [ -0.0003355000000000, 0.0002896900000000, -0.0006632900000000 ] - [ 0.0023443300000000, 0.0005381600000000, -0.0009886400000000 ] - [ 0.0012464400000000, -0.0001372600000000, -0.0000209300000000 ] - [ 0.0009311300000000, -0.0003283400000000, -0.0003471100000000 ] - [ 0.0021389700000000, -0.0000164800000000, -0.0024373800000000 ] - [ -0.0012868800000000, -0.0013218800000000, 0.0032392200000000 ] - [ 0.0016474500000000, -0.0001724400000000, 0.0007413400000000 ] - [ -0.0050842800000000, -0.0039545000000000, 0.0035277500000000 ] - [ 0.0048553300000000, 0.0001658100000000, -0.0006020900000000 ] - [ -0.0063457200000000, -0.0020217200000000, 0.0005836500000000 ] - [ 0.0086208900000000, -0.0014034800000000, 0.0131854800000000 ] - [ 0.0015032800000000, 0.0007430900000000, 0.0005610500000000 ] - [ 0.0019613900000000, 0.0005056600000000, -0.0002434700000000 ] - [ 0.0019424700000000, -0.0003788900000000, 0.0016518700000000 ] - [ -0.0026498000000000, 0.0014873900000000, -0.0025170400000000 ] - [ -0.0006571100000000, -0.0006402600000000, -0.0013359400000000 ] - [ -0.0017912000000000, 0.0010407100000000, -0.0005934300000000 ] - [ 0.0010609500000000, -0.0001275300000000, 0.0001544200000000 ] - [ 0.0028546600000000, 0.0013514800000000, -0.0041017400000000 ] - [ 0.0008097400000000, -0.0000475600000000, -0.0007122900000000 ] - [ -0.0021227600000000, -0.0005242500000000, 0.0007486200000000 ] - [ -0.0131857300000000, -0.0042354100000000, -0.0093835000000000 ] - [ 0.0010183300000000, 0.0001014800000000, 0.0006251100000000 ] - [ -0.0001308000000000, -0.0006204600000000, 0.0010570500000000 ] - [ 0.0004978200000000, -0.0010902100000000, -0.0014736900000000 ] - [ -0.0018723400000000, -0.0033621100000000, -0.0042608100000000 ] - [ 0.0060383400000000, 0.0002427300000000, 0.0013729100000000 ] - [ 0.0019188900000000, 0.0004014700000000, 0.0008375800000000 ] - [ 0.0017373600000000, 0.0007171300000000, -0.0008783400000000 ] - [ 0.0043623000000000, 0.0006518200000000, 0.0004795100000000 ] - [ 0.0003905800000000, -0.0000513400000000, 0.0007198700000000 ] - [ 0.0062453000000000, -0.0002658500000000, 0.0023270200000000 ] - [ -0.0079140000000000, 0.0046527000000000, 0.0105270000000000 ] - [ -0.0015919400000000, 0.0009198100000000, 0.0026410400000000 ] - [ 0.0013635500000000, -0.0008561100000000, 0.0028880600000000 ] - [ 0.0009120500000000, -0.0001307800000000, -0.0005227200000000 ] - [ -0.1054246600000000, 0.0456824700000000, -0.0625485800000000 ] - [ 0.0015022500000000, 0.0005018300000000, -0.0003688800000000 ] - [ 0.0016445300000000, 0.0001251500000000, -0.0013417100000000 ] - [ 0.0014826100000000, 0.0000697300000000, 0.0001108700000000 ] - [ 0.0012303000000000, -0.0007957100000000, 0.0000082300000000 ] - [ -0.0062575900000000, -0.0024193700000000, -0.0022071700000000 ] - [ 0.0045630400000000, 0.0001337000000000, -0.0007492900000000 ] - [ 0.0052698100000000, 0.0047415500000000, -0.0135762300000000 ] - [ 0.0007458700000000, 0.0001043100000000, 0.0004877100000000 ] - [ -0.0000975000000000, 0.0002513100000000, 0.0014374300000000 ] - [ 0.0003437200000000, -0.0000370600000000, 0.0002649800000000 ] - [ -0.0284179900000000, 0.0038711500000000, 0.0003270300000000 ] - [ 0.0021584300000000, 0.0006369400000000, 0.0003152100000000 ] - [ -0.0011970900000000, -0.0012252100000000, 0.0042103100000000 ] - [ 0.0004347400000000, 0.0001720000000000, -0.0003339800000000 ] - [ 0.0019912200000000, 0.0001813800000000, 0.0005247500000000 ] - [ -0.0069415800000000, 0.0013120100000000, -0.0020463700000000 ] - [ -0.0025974300000000, 0.0021116400000000, -0.0029594100000000 ] - [ -0.0010501300000000, 0.0010318900000000, 0.0018898100000000 ] - [ 0.0017348100000000, 0.0003322000000000, 0.0011541400000000 ] - [ 0.0049787000000000, 0.0009430700000000, 0.0018526200000000 ]- atom: 22 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001793200000000, 0.0004190600000000, -0.0004246600000000 ] - [ 0.0082880900000000, 0.0145202800000000, -0.0057112700000000 ] - [ -0.0001914300000000, 0.0002882300000000, -0.0005665900000000 ] - [ 0.0061877700000000, 0.0118951000000000, 0.0130036800000000 ] - [ 0.0000731300000000, -0.0001952300000000, 0.0005304300000000 ] - [ -0.0032778200000000, -0.0059535200000000, 0.0026810700000000 ] - [ -0.0001019000000000, -0.0001195400000000, 0.0003906100000000 ] - [ -0.0000343800000000, 0.0000448300000000, 0.0002202000000000 ] - [ 0.0000769900000000, 0.0003675100000000, -0.0007408000000000 ] - [ -0.0005801700000000, -0.0000163700000000, -0.0003153900000000 ] - [ -0.0232107600000000, 0.0254078400000000, -0.0023476800000000 ] - [ -0.0002034100000000, 0.0000343100000000, 0.0005236500000000 ] - [ -0.0001840300000000, -0.0004672000000000, 0.0008527500000000 ] - [ 0.0001067400000000, 0.0003004000000000, 0.0006820600000000 ] - [ 0.0024406300000000, -0.0041577200000000, 0.0003048500000000 ] - [ 0.0006270700000000, -0.0004893300000000, 0.0012486100000000 ] - [ 0.0001827000000000, -0.0002210100000000, 0.0001151100000000 ] - [ -0.0001685100000000, -0.0001929700000000, -0.0000460200000000 ] - [ 0.0003442300000000, -0.0001967200000000, 0.0001040100000000 ] - [ -0.0003573500000000, -0.0002012100000000, 0.0000993500000000 ] - [ -0.0014728000000000, -0.0004455400000000, 0.0009262800000000 ] - [ 0.0099631200000000, -0.3027763700000000, 0.0146612300000000 ] - [ 0.0000595800000000, 0.0001143800000000, 0.0008198100000000 ] - [ 0.0001564600000000, -0.0000101800000000, 0.0004072100000000 ] - [ 0.0006726900000000, 0.0008469000000000, 0.0007076900000000 ] - [ 0.0001783400000000, -0.0005202800000000, -0.0005782600000000 ] - [ 0.0003463300000000, 0.0003060900000000, 0.0009043800000000 ] - [ -0.0001687200000000, 0.0004611300000000, 0.0006828100000000 ] - [ -0.0051672300000000, -0.0060819400000000, -0.0038261300000000 ] - [ -0.0001759300000000, -0.0002401600000000, 0.0002052200000000 ] - [ 0.0000016700000000, -0.0003967000000000, 0.0000850600000000 ] - [ -0.0004582700000000, 0.0000585200000000, -0.0001882200000000 ] - [ 0.0013924400000000, 0.0008566800000000, 0.0008839400000000 ] - [ 0.0039471900000000, 0.0162880900000000, 0.0055834600000000 ] - [ -0.0010974800000000, 0.0007094100000000, 0.0006985000000000 ] - [ -0.0008017900000000, -0.0013776000000000, 0.0002498400000000 ] - [ 0.0006419700000000, -0.0002341600000000, 0.0003134600000000 ] - [ 0.0009322400000000, 0.0004915300000000, 0.0003413600000000 ] - [ -0.0005658800000000, 0.0000875700000000, -0.0002146300000000 ] - [ 0.0007748500000000, -0.0051709700000000, -0.0033894000000000 ] - [ -0.0002221400000000, 0.0000728700000000, -0.0000196300000000 ] - [ -0.0000492000000000, -0.0004754900000000, 0.0001676500000000 ] - [ -0.0000963800000000, -0.0004781200000000, -0.0002268800000000 ] - [ 0.0004321400000000, -0.0001788200000000, -0.0001361700000000 ] - [ -0.0003089400000000, 0.0000405300000000, 0.0000741900000000 ] - [ 0.0003394200000000, 0.0000018700000000, -0.0000344200000000 ] - [ -0.0000180800000000, 0.0000334700000000, -0.0006167200000000 ] - [ -0.0002569800000000, -0.0003743200000000, 0.0001302000000000 ] - [ 0.0003139300000000, -0.0003405700000000, -0.0003085900000000 ] - [ -0.0000432500000000, -0.0002854400000000, 0.0000835000000000 ] - [ 0.0000055900000000, -0.0002635400000000, -0.0004114700000000 ] - [ 0.0000386200000000, 0.0001023900000000, 0.0000989000000000 ] - [ 0.0012363200000000, 0.0003809100000000, -0.0001501700000000 ] - [ 0.0448537300000000, 0.0525795500000000, -0.0453585600000000 ] - [ 0.0000900000000000, 0.0002513900000000, 0.0005940600000000 ] - [ 0.0004193300000000, -0.0002197600000000, -0.0000584100000000 ] - [ 0.0005147200000000, -0.0000767900000000, -0.0001225300000000 ] - [ -0.0001129400000000, 0.0001645800000000, 0.0005262400000000 ] - [ 0.0003144700000000, -0.0004008600000000, -0.0000702900000000 ] - [ 0.0006282400000000, 0.0001361000000000, -0.0003573400000000 ] - [ -0.0011559400000000, -0.0014912100000000, -0.0004320100000000 ] - [ -0.0000942800000000, 0.0001207200000000, 0.0002707700000000 ] - [ 0.0047229900000000, -0.0040557700000000, 0.0050429300000000 ] - [ 0.0001273500000000, 0.0008838200000000, 0.0008039900000000 ] - [ 0.0000347000000000, 0.0018242000000000, -0.0031527700000000 ] - [ -0.0038031700000000, 0.0076266300000000, -0.0016968600000000 ] - [ -0.0000601800000000, 0.0001434200000000, -0.0000600300000000 ] - [ -0.0001803800000000, 0.0002123900000000, 0.0001378300000000 ] - [ -0.0001736800000000, -0.0000273300000000, 0.0002800200000000 ] - [ 0.0005571500000000, 0.0000472200000000, -0.0004306000000000 ] - [ -0.0001250600000000, -0.0002013400000000, -0.0004029200000000 ] - [ -0.0000403100000000, 0.0000506500000000, -0.0005532700000000 ] - [ -0.0003952800000000, -0.0000496000000000, -0.0000872500000000 ] - [ 0.0009962000000000, -0.0005002200000000, -0.0002610000000000 ] - [ 0.0000889200000000, 0.0000404100000000, -0.0001540300000000 ] - [ -0.0013908600000000, 0.0005376300000000, -0.0014699900000000 ] - [ 0.0033709300000000, -0.0091584400000000, -0.0067007700000000 ] - [ -0.0002107300000000, 0.0002124400000000, 0.0001262500000000 ] - [ -0.0003803500000000, -0.0000710400000000, -0.0001419300000000 ] - [ 0.0005526000000000, -0.0003069700000000, -0.0007346100000000 ] - [ 0.0011886300000000, 0.0002935400000000, -0.0019291700000000 ] - [ 0.0000356100000000, 0.0001567400000000, 0.0002257300000000 ] - [ 0.0002479500000000, 0.0002603500000000, 0.0000301500000000 ] - [ 0.0003121400000000, 0.0002300500000000, -0.0006771000000000 ] - [ 0.0003468500000000, -0.0013781100000000, 0.0016427300000000 ] - [ -0.0000464300000000, -0.0000709500000000, -0.0002002800000000 ] - [ 0.0008449000000000, 0.0000050300000000, -0.0000472200000000 ] - [ -0.0051386000000000, -0.0058232600000000, -0.0020622500000000 ] - [ -0.0013491000000000, 0.0000496200000000, -0.0011521200000000 ] - [ -0.0004355300000000, -0.0000777900000000, 0.0002895800000000 ] - [ 0.0003578200000000, -0.0002152000000000, -0.0001449300000000 ] - [ -0.0408207100000000, 0.0453049000000000, -0.0293649500000000 ] - [ 0.0001735900000000, 0.0001258900000000, -0.0000940100000000 ] - [ -0.0002114900000000, 0.0000865000000000, -0.0000058400000000 ] - [ 0.0005059600000000, 0.0000449600000000, -0.0000882200000000 ] - [ -0.0000954800000000, -0.0004653800000000, -0.0000785100000000 ] - [ 0.0015109900000000, 0.0026385900000000, -0.0020391400000000 ] - [ 0.0011231700000000, 0.0006475100000000, 0.0002082100000000 ] - [ 0.0011917400000000, 0.0049766700000000, -0.0004301700000000 ] - [ 0.0001683600000000, 0.0002620900000000, -0.0003453200000000 ] - [ -0.0005453700000000, -0.0001848800000000, -0.0004423600000000 ] - [ -0.0001508200000000, 0.0001406500000000, -0.0003452700000000 ] - [ -0.0073165700000000, 0.1677035700000000, 0.0601683900000000 ] - [ 0.0001596200000000, 0.0002507500000000, -0.0004032600000000 ] - [ -0.0005632600000000, -0.0004696000000000, 0.0001563200000000 ] - [ -0.0001661500000000, -0.0000181200000000, -0.0003474400000000 ] - [ 0.0002611100000000, 0.0001133900000000, -0.0002842900000000 ] - [ -0.0029936200000000, -0.0049333700000000, 0.0044984200000000 ] - [ 0.0008983200000000, -0.0002313700000000, -0.0003276100000000 ] - [ 0.0002962800000000, -0.0001309300000000, -0.0004329300000000 ] - [ 0.0001361100000000, -0.0001411300000000, -0.0004909200000000 ] - [ 0.0005577200000000, 0.0003085500000000, 0.0004488700000000 ]- atom: 22 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001690500000000, 0.0004541900000000, 0.0004284500000000 ] - [ -0.0085627500000000, -0.0147891200000000, 0.0050112200000000 ] - [ -0.0000445300000000, 0.0003105000000000, -0.0006603600000000 ] - [ -0.0063993200000000, -0.0118370800000000, -0.0125029100000000 ] - [ -0.0000735000000000, -0.0002563900000000, -0.0005346700000000 ] - [ 0.0035050400000000, 0.0067129200000000, -0.0013825800000000 ] - [ 0.0006221100000000, -0.0000246000000000, 0.0003143900000000 ] - [ 0.0002689400000000, 0.0000233000000000, -0.0006455200000000 ] - [ -0.0000796000000000, 0.0005008500000000, 0.0007447500000000 ] - [ 0.0000611000000000, -0.0001279700000000, -0.0003904700000000 ] - [ 0.0226423100000000, -0.0248260800000000, 0.0011939900000000 ] - [ -0.0000300100000000, 0.0000335800000000, -0.0001016100000000 ] - [ 0.0001841500000000, 0.0000197400000000, -0.0008565200000000 ] - [ 0.0001283900000000, 0.0002993400000000, 0.0005445200000000 ] - [ -0.0018614600000000, 0.0041389500000000, 0.0004679700000000 ] - [ -0.0003951800000000, 0.0005631500000000, -0.0016848200000000 ] - [ 0.0003067200000000, -0.0001844200000000, -0.0000195600000000 ] - [ -0.0003254800000000, -0.0002858300000000, -0.0000527400000000 ] - [ 0.0001466000000000, -0.0002096300000000, -0.0000092500000000 ] - [ -0.0001342500000000, -0.0002743100000000, -0.0001978300000000 ] - [ 0.0012897600000000, -0.0007477000000000, -0.0001680800000000 ] - [ -0.0098872000000000, 0.2931487800000000, -0.0190107600000000 ] - [ 0.0006364700000000, 0.0000898300000000, 0.0001986200000000 ] - [ 0.0004675800000000, 0.0000589900000000, 0.0001633800000000 ] - [ -0.0017471100000000, 0.0002932100000000, -0.0006722800000000 ] - [ 0.0000115400000000, -0.0006550200000000, -0.0001784800000000 ] - [ 0.0003172700000000, -0.0007856200000000, -0.0009671900000000 ] - [ 0.0012409500000000, 0.0006836400000000, -0.0007185700000000 ] - [ 0.0044459200000000, 0.0064392800000000, 0.0027672600000000 ] - [ -0.0004900800000000, -0.0002315800000000, -0.0001521800000000 ] - [ -0.0001935400000000, -0.0007833500000000, 0.0006750300000000 ] - [ -0.0001657300000000, -0.0000101000000000, -0.0003836200000000 ] - [ -0.0007062800000000, -0.0006688100000000, 0.0001326500000000 ] - [ -0.0034150900000000, -0.0163794700000000, -0.0053464200000000 ] - [ 0.0000286300000000, 0.0004373200000000, -0.0006657400000000 ] - [ 0.0010157400000000, 0.0002222600000000, -0.0009964100000000 ] - [ 0.0000219300000000, -0.0002375900000000, -0.0003693800000000 ] - [ 0.0001381200000000, 0.0006571700000000, -0.0003823500000000 ] - [ -0.0001296700000000, 0.0001169200000000, -0.0008056700000000 ] - [ -0.0014541100000000, 0.0048045600000000, 0.0034192700000000 ] - [ -0.0000901800000000, 0.0000837600000000, -0.0001305100000000 ] - [ -0.0002109700000000, -0.0003131500000000, 0.0001398100000000 ] - [ 0.0003581600000000, -0.0003178300000000, -0.0000771700000000 ] - [ -0.0000364800000000, -0.0002622400000000, 0.0004433000000000 ] - [ -0.0000875000000000, -0.0004767500000000, -0.0003825400000000 ] - [ -0.0000284200000000, 0.0001560200000000, 0.0001761400000000 ] - [ -0.0002886800000000, 0.0001202100000000, 0.0004666900000000 ] - [ -0.0000023600000000, -0.0004159700000000, 0.0001801600000000 ] - [ -0.0000530100000000, -0.0004554600000000, 0.0000082500000000 ] - [ 0.0004432300000000, -0.0001532100000000, 0.0002283300000000 ] - [ -0.0004049300000000, -0.0001740100000000, 0.0001022700000000 ] - [ 0.0002751200000000, 0.0000541600000000, 0.0000474800000000 ] - [ -0.0007323700000000, 0.0001937700000000, 0.0000679000000000 ] - [ -0.0434975800000000, -0.0520836900000000, 0.0433108800000000 ] - [ -0.0000735100000000, 0.0002202400000000, 0.0003911600000000 ] - [ 0.0000701100000000, 0.0000809500000000, 0.0003831900000000 ] - [ -0.0006112000000000, 0.0000667100000000, -0.0004116000000000 ] - [ -0.0003231800000000, 0.0002348600000000, 0.0006785300000000 ] - [ 0.0000695300000000, -0.0004756900000000, 0.0000861300000000 ] - [ 0.0001778300000000, 0.0001104600000000, 0.0000665100000000 ] - [ 0.0016950500000000, 0.0010246900000000, 0.0006511900000000 ] - [ -0.0002828700000000, 0.0001117100000000, 0.0002716700000000 ] - [ -0.0047040400000000, 0.0042000800000000, -0.0050660500000000 ] - [ -0.0009268400000000, -0.0006441800000000, -0.0005024400000000 ] - [ 0.0008721300000000, -0.0018923400000000, 0.0032032000000000 ] - [ 0.0035456100000000, -0.0083992700000000, 0.0017787000000000 ] - [ 0.0000904600000000, 0.0001394900000000, 0.0002204200000000 ] - [ -0.0003378600000000, 0.0003645200000000, -0.0000493900000000 ] - [ -0.0001720600000000, -0.0001059000000000, 0.0004258800000000 ] - [ -0.0001604500000000, 0.0004134600000000, 0.0000081600000000 ] - [ -0.0004189500000000, -0.0002638900000000, 0.0001741900000000 ] - [ 0.0000108600000000, 0.0002335800000000, 0.0003973400000000 ] - [ -0.0005059200000000, 0.0000383900000000, 0.0000643300000000 ] - [ -0.0009859800000000, 0.0009913900000000, -0.0007488000000000 ] - [ -0.0002097900000000, 0.0001445100000000, 0.0001134900000000 ] - [ 0.0009048800000000, -0.0006781300000000, 0.0011523800000000 ] - [ -0.0030439500000000, 0.0094431400000000, 0.0063190600000000 ] - [ -0.0001914300000000, 0.0002433200000000, 0.0002961800000000 ] - [ -0.0003387400000000, -0.0001101300000000, 0.0003108900000000 ] - [ 0.0001663400000000, 0.0001280000000000, 0.0005731000000000 ] - [ -0.0008573600000000, -0.0004334200000000, 0.0012433100000000 ] - [ 0.0000574500000000, -0.0001662100000000, 0.0003041500000000 ] - [ 0.0002711900000000, 0.0003178400000000, -0.0001179800000000 ] - [ 0.0001232900000000, 0.0001693600000000, -0.0005266100000000 ] - [ -0.0003120700000000, 0.0018195900000000, -0.0006653900000000 ] - [ 0.0005395500000000, -0.0000688700000000, 0.0005276500000000 ] - [ -0.0009606500000000, -0.0000171600000000, -0.0004899000000000 ] - [ 0.0047759800000000, 0.0062586700000000, 0.0033673700000000 ] - [ 0.0017553000000000, -0.0009342200000000, 0.0011873900000000 ] - [ 0.0012458400000000, 0.0003278600000000, -0.0005863700000000 ] - [ 0.0001856200000000, -0.0002494500000000, 0.0003748100000000 ] - [ 0.0395038200000000, -0.0448834700000000, 0.0292991800000000 ] - [ -0.0000527900000000, 0.0000587600000000, 0.0001354000000000 ] - [ -0.0005963100000000, 0.0001609700000000, 0.0002974700000000 ] - [ 0.0003954500000000, -0.0000566500000000, 0.0001124500000000 ] - [ -0.0002886600000000, -0.0004110800000000, 0.0000634500000000 ] - [ -0.0014958400000000, -0.0023489900000000, 0.0022073500000000 ] - [ -0.0016607200000000, -0.0000664100000000, -0.0001088500000000 ] - [ -0.0015917100000000, -0.0050890700000000, 0.0011983800000000 ] - [ 0.0002347900000000, 0.0001934500000000, -0.0000764300000000 ] - [ 0.0000034600000000, -0.0002809400000000, 0.0002166700000000 ] - [ 0.0001217800000000, 0.0001425300000000, 0.0001872500000000 ] - [ 0.0058424200000000, -0.1586390500000000, -0.0551845100000000 ] - [ -0.0001789800000000, 0.0002205600000000, -0.0005825700000000 ] - [ 0.0004452700000000, 0.0006653100000000, -0.0002083300000000 ] - [ -0.0003240400000000, -0.0001217600000000, 0.0000246300000000 ] - [ 0.0001164800000000, 0.0001191600000000, -0.0002575300000000 ] - [ 0.0026273700000000, 0.0053634800000000, -0.0041331500000000 ] - [ -0.0016136500000000, 0.0000462100000000, 0.0004853700000000 ] - [ 0.0004236400000000, -0.0000488800000000, 0.0002655600000000 ] - [ 0.0002098000000000, 0.0000087300000000, -0.0002138500000000 ] - [ -0.0004591800000000, -0.0003262100000000, 0.0000797000000000 ]- atom: 22 displacement: [ -0.0057565208649526, 0.0000000000000000, 0.0081769473235044 ] forces: - [ -0.0046634500000000, 0.0010360400000000, -0.0011090200000000 ] - [ -0.0138319600000000, -0.0126599800000000, -0.0184804300000000 ] - [ -0.0016034000000000, 0.0003439000000000, -0.0007360300000000 ] - [ 0.0131073800000000, 0.0064606000000000, 0.0127847900000000 ] - [ 0.0002187900000000, -0.0000222500000000, 0.0020740800000000 ] - [ -0.0143352400000000, 0.0088781100000000, 0.0262372200000000 ] - [ -0.0027377200000000, -0.0004421100000000, 0.0008334000000000 ] - [ -0.0001979200000000, 0.0001444200000000, 0.0020754300000000 ] - [ -0.0010393700000000, -0.0003050600000000, -0.0033548200000000 ] - [ -0.0028846100000000, 0.0002832700000000, -0.0009112900000000 ] - [ -0.0199151900000000, 0.0154041700000000, -0.0123559900000000 ] - [ -0.0013376800000000, -0.0000801900000000, 0.0012573400000000 ] - [ 0.0027379700000000, -0.0008776100000000, 0.0044848800000000 ] - [ -0.0003885600000000, 0.0002877600000000, 0.0006955200000000 ] - [ 0.0034276900000000, -0.0011689300000000, -0.0060250100000000 ] - [ 0.0040047600000000, -0.0010324400000000, 0.0047535200000000 ] - [ -0.0004140100000000, -0.0003161400000000, 0.0012666600000000 ] - [ -0.0000124300000000, -0.0002197300000000, -0.0002086200000000 ] - [ 0.0004868500000000, -0.0001712400000000, 0.0000554700000000 ] - [ -0.0007964100000000, -0.0000907300000000, 0.0008724500000000 ] - [ -0.0059782700000000, -0.0000027800000000, 0.0034520900000000 ] - [ 0.1761570900000000, 0.0051616700000000, -0.2254079500000000 ] - [ -0.0015604300000000, 0.0001565900000000, 0.0031966700000000 ] - [ -0.0009909100000000, -0.0001647200000000, 0.0007549100000000 ] - [ 0.0024774000000000, 0.0011587100000000, 0.0004261000000000 ] - [ -0.0026252400000000, -0.0011034700000000, -0.0026565300000000 ] - [ 0.0004142000000000, -0.0000864200000000, 0.0063666800000000 ] - [ -0.0037052500000000, -0.0004847600000000, 0.0061313000000000 ] - [ 0.0033255200000000, 0.0008163600000000, -0.0073036700000000 ] - [ -0.0005092500000000, 0.0000156100000000, -0.0001959900000000 ] - [ 0.0004325600000000, -0.0005316500000000, -0.0007668200000000 ] - [ -0.0018613200000000, 0.0001886600000000, -0.0001470300000000 ] - [ 0.0033043000000000, 0.0010333000000000, -0.0002888000000000 ] - [ 0.0222579300000000, -0.0023700000000000, 0.0035086800000000 ] - [ -0.0037917400000000, 0.0012796200000000, 0.0036138900000000 ] - [ -0.0090472900000000, -0.0026401300000000, -0.0047826500000000 ] - [ 0.0013040200000000, -0.0003930600000000, 0.0007909500000000 ] - [ 0.0017869100000000, 0.0003272900000000, 0.0006061900000000 ] - [ -0.0022650200000000, 0.0001203200000000, 0.0006065500000000 ] - [ -0.0035613700000000, -0.0064899200000000, 0.0164450300000000 ] - [ -0.0001312300000000, 0.0000243500000000, 0.0004245700000000 ] - [ 0.0011638400000000, -0.0007958000000000, -0.0012994800000000 ] - [ -0.0004860900000000, -0.0006725400000000, -0.0001141900000000 ] - [ 0.0018987300000000, 0.0000555800000000, -0.0021951400000000 ] - [ -0.0010661800000000, -0.0001212400000000, 0.0007054000000000 ] - [ 0.0019346700000000, 0.0005148500000000, -0.0026125900000000 ] - [ 0.0019467100000000, -0.0003596400000000, -0.0009624600000000 ] - [ -0.0005240000000000, -0.0002961700000000, 0.0001653100000000 ] - [ 0.0011035800000000, -0.0000654400000000, -0.0012211300000000 ] - [ -0.0004341000000000, -0.0003642900000000, 0.0002371000000000 ] - [ 0.0012854800000000, -0.0005092200000000, -0.0017783400000000 ] - [ -0.0001497800000000, 0.0001486400000000, 0.0003069400000000 ] - [ 0.0036650400000000, -0.0007890700000000, -0.0006694700000000 ] - [ -0.1192954200000000, -0.0678806800000000, 0.1277746800000000 ] - [ 0.0014163500000000, 0.0000733000000000, 0.0008953500000000 ] - [ 0.0004431700000000, -0.0003400300000000, -0.0016156900000000 ] - [ 0.0038858200000000, -0.0004344800000000, 0.0003996200000000 ] - [ 0.0007154000000000, -0.0000853500000000, 0.0001393600000000 ] - [ 0.0009618000000000, -0.0002447200000000, -0.0005589600000000 ] - [ 0.0021557300000000, 0.0001970400000000, -0.0020054700000000 ] - [ -0.0022826500000000, -0.0009337900000000, -0.0004115800000000 ] - [ 0.0008631100000000, 0.0000653000000000, 0.0005364600000000 ] - [ -0.0075567500000000, -0.0012100700000000, 0.0049654200000000 ] - [ 0.0009382500000000, 0.0018349400000000, 0.0066660900000000 ] - [ -0.0039235600000000, -0.0019011900000000, -0.0054047700000000 ] - [ -0.0070810300000000, -0.0002551300000000, 0.0085568000000000 ] - [ 0.0002485500000000, 0.0003596500000000, -0.0002164100000000 ] - [ 0.0008957200000000, 0.0001350400000000, 0.0004931000000000 ] - [ 0.0006676600000000, -0.0000421000000000, 0.0007359800000000 ] - [ -0.0007615500000000, 0.0023049300000000, -0.0048689000000000 ] - [ 0.0000745100000000, -0.0005107800000000, -0.0023984000000000 ] - [ -0.0012495500000000, 0.0004328900000000, -0.0021916200000000 ] - [ 0.0003169600000000, -0.0001432000000000, -0.0001189800000000 ] - [ 0.0048424500000000, 0.0030086800000000, -0.0030287900000000 ] - [ 0.0009075600000000, -0.0001698400000000, -0.0009864400000000 ] - [ -0.0030731500000000, -0.0004907400000000, -0.0019712700000000 ] - [ -0.0064071800000000, -0.0047387200000000, -0.0002295300000000 ] - [ 0.0001667300000000, 0.0001331300000000, 0.0001425800000000 ] - [ -0.0003186500000000, -0.0002120400000000, -0.0004052500000000 ] - [ 0.0013254600000000, -0.0012655900000000, -0.0033002500000000 ] - [ 0.0012687300000000, -0.0037698500000000, -0.0044659300000000 ] - [ 0.0041966500000000, 0.0000056000000000, 0.0023096900000000 ] - [ 0.0005016000000000, 0.0005594600000000, 0.0006415400000000 ] - [ 0.0009925900000000, 0.0004759900000000, -0.0008440200000000 ] - [ 0.0020585900000000, -0.0005175500000000, 0.0033745900000000 ] - [ -0.0007736800000000, -0.0000205000000000, -0.0009015200000000 ] - [ -0.0001468900000000, -0.0003439500000000, 0.0008460200000000 ] - [ -0.0070514100000000, 0.0008834200000000, 0.0131323400000000 ] - [ -0.0032529600000000, -0.0004861500000000, -0.0002654300000000 ] - [ -0.0010892700000000, -0.0000225300000000, 0.0025838500000000 ] - [ 0.0009292100000000, -0.0001625300000000, -0.0010753900000000 ] - [ -0.0092695900000000, -0.0026582700000000, 0.0263367400000000 ] - [ 0.0010028400000000, 0.0003776000000000, -0.0003475300000000 ] - [ 0.0007162800000000, 0.0000283900000000, -0.0004163700000000 ] - [ 0.0009168900000000, 0.0002497900000000, -0.0004366400000000 ] - [ 0.0007117300000000, -0.0006815200000000, -0.0000728200000000 ] - [ -0.0015223900000000, -0.0000458800000000, -0.0064648400000000 ] - [ 0.0007296600000000, 0.0000823800000000, 0.0030094100000000 ] - [ 0.0116499400000000, 0.0021772700000000, -0.0064604400000000 ] - [ 0.0001420400000000, 0.0002808600000000, -0.0006136500000000 ] - [ -0.0012018800000000, 0.0000329800000000, -0.0008758400000000 ] - [ -0.0007037600000000, 0.0001148600000000, -0.0010809000000000 ] - [ -0.0184054300000000, 0.0621363800000000, 0.0460673200000000 ] - [ 0.0003935500000000, 0.0001309700000000, 0.0002851500000000 ] - [ -0.0027226500000000, -0.0001456500000000, 0.0006506700000000 ] - [ 0.0004181400000000, 0.0002489100000000, -0.0009052700000000 ] - [ 0.0010159800000000, 0.0001145100000000, 0.0000021900000000 ] - [ -0.0000813800000000, 0.0013421400000000, -0.0009510200000000 ] - [ 0.0003116300000000, 0.0020587900000000, -0.0055639500000000 ] - [ -0.0004920300000000, 0.0002764500000000, -0.0008491700000000 ] - [ 0.0001708200000000, -0.0002452800000000, -0.0006701800000000 ] - [ 0.0041147100000000, 0.0016233800000000, 0.0028825800000000 ]- atom: 22 displacement: [ 0.0057565208649526, 0.0000000000000000, -0.0081769473235044 ] forces: - [ 0.0046657500000000, -0.0001693100000000, 0.0011235900000000 ] - [ 0.0133309000000000, 0.0125785900000000, 0.0178854100000000 ] - [ 0.0013629600000000, 0.0002561500000000, -0.0004854800000000 ] - [ -0.0132721200000000, -0.0063699200000000, -0.0124663500000000 ] - [ -0.0002301600000000, -0.0004286200000000, -0.0020725700000000 ] - [ 0.0147342700000000, -0.0083197000000000, -0.0252503000000000 ] - [ 0.0032610800000000, 0.0002977500000000, -0.0001221900000000 ] - [ 0.0004430800000000, -0.0000765900000000, -0.0024964500000000 ] - [ 0.0010546500000000, 0.0011675600000000, 0.0033298700000000 ] - [ 0.0023545900000000, -0.0004251500000000, 0.0001973200000000 ] - [ 0.0197495800000000, -0.0147136600000000, 0.0108965800000000 ] - [ 0.0010951100000000, 0.0001472800000000, -0.0008316000000000 ] - [ -0.0027034500000000, 0.0004235700000000, -0.0044686400000000 ] - [ 0.0006303400000000, 0.0003123100000000, 0.0005268000000000 ] - [ -0.0027809600000000, 0.0010731300000000, 0.0068103100000000 ] - [ -0.0037964900000000, 0.0011065100000000, -0.0051795400000000 ] - [ 0.0009107400000000, -0.0000867400000000, -0.0011675700000000 ] - [ -0.0004867000000000, -0.0002538400000000, 0.0001071800000000 ] - [ 0.0000121800000000, -0.0002319200000000, 0.0000450200000000 ] - [ 0.0003001400000000, -0.0003824000000000, -0.0009673400000000 ] - [ 0.0057982300000000, -0.0011658200000000, -0.0027022600000000 ] - [ -0.1857580000000000, -0.0111156600000000, 0.2315981200000000 ] - [ 0.0022594600000000, 0.0000479400000000, -0.0021721500000000 ] - [ 0.0016167300000000, 0.0002131200000000, -0.0001833200000000 ] - [ -0.0035389700000000, -0.0000127000000000, -0.0004069000000000 ] - [ 0.0028079200000000, -0.0000756500000000, 0.0019049600000000 ] - [ 0.0002469300000000, -0.0003811300000000, -0.0064269400000000 ] - [ 0.0047698400000000, 0.0016273700000000, -0.0061446900000000 ] - [ -0.0040652000000000, -0.0005744300000000, 0.0062933000000000 ] - [ -0.0001592400000000, -0.0004901700000000, 0.0002520600000000 ] - [ -0.0006018100000000, -0.0006508600000000, 0.0015261100000000 ] - [ 0.0012351400000000, -0.0001401900000000, -0.0004246700000000 ] - [ -0.0026023600000000, -0.0008317100000000, 0.0013235500000000 ] - [ -0.0218056000000000, 0.0023263000000000, -0.0028433300000000 ] - [ 0.0027073300000000, -0.0001326100000000, -0.0035764300000000 ] - [ 0.0091812400000000, 0.0014482000000000, 0.0039445400000000 ] - [ -0.0006322500000000, -0.0000816600000000, -0.0008457900000000 ] - [ -0.0007227500000000, 0.0008200400000000, -0.0006350700000000 ] - [ 0.0015613800000000, 0.0000838800000000, -0.0016281800000000 ] - [ 0.0029055500000000, 0.0058760100000000, -0.0161804200000000 ] - [ -0.0001692400000000, 0.0001242900000000, -0.0005905700000000 ] - [ -0.0014055100000000, 0.0000062200000000, 0.0016038500000000 ] - [ 0.0007242600000000, -0.0001286000000000, -0.0001841700000000 ] - [ -0.0014938600000000, -0.0004897700000000, 0.0025067900000000 ] - [ 0.0006564600000000, -0.0003076700000000, -0.0010188100000000 ] - [ -0.0016316800000000, -0.0003663100000000, 0.0027691900000000 ] - [ -0.0022463900000000, 0.0005028200000000, 0.0008150800000000 ] - [ 0.0002888500000000, -0.0004915700000000, 0.0001484000000000 ] - [ -0.0008564000000000, -0.0007286000000000, 0.0009182200000000 ] - [ 0.0008441400000000, -0.0000673200000000, 0.0000787600000000 ] - [ -0.0016880200000000, 0.0000777200000000, 0.0014547800000000 ] - [ 0.0004517400000000, 0.0000009800000000, -0.0001483100000000 ] - [ -0.0031536600000000, 0.0013749700000000, 0.0005773300000000 ] - [ 0.1275479100000000, 0.0727952500000000, -0.1359662200000000 ] - [ -0.0013960200000000, 0.0003948000000000, 0.0000830100000000 ] - [ 0.0000442600000000, 0.0002009200000000, 0.0019310100000000 ] - [ -0.0039880600000000, 0.0004220200000000, -0.0009341800000000 ] - [ -0.0011538500000000, 0.0004855700000000, 0.0010647100000000 ] - [ -0.0005785700000000, -0.0006304500000000, 0.0005723300000000 ] - [ -0.0013489200000000, 0.0000496800000000, 0.0017137200000000 ] - [ 0.0028157100000000, 0.0004722000000000, 0.0006544600000000 ] - [ -0.0012431200000000, 0.0001670700000000, 0.0000049700000000 ] - [ 0.0076686100000000, 0.0013850700000000, -0.0049162500000000 ] - [ -0.0017439800000000, -0.0015907100000000, -0.0064210100000000 ] - [ 0.0048726900000000, 0.0019742200000000, 0.0054515100000000 ] - [ 0.0067490300000000, -0.0006148100000000, -0.0085650500000000 ] - [ -0.0002142500000000, -0.0000734500000000, 0.0003764400000000 ] - [ -0.0014124000000000, 0.0004465700000000, -0.0004113500000000 ] - [ -0.0010098200000000, -0.0000872300000000, -0.0000303800000000 ] - [ 0.0011705800000000, -0.0018636300000000, 0.0044585900000000 ] - [ -0.0006180800000000, 0.0000421700000000, 0.0021616200000000 ] - [ 0.0012256400000000, -0.0001507600000000, 0.0020328900000000 ] - [ -0.0012175700000000, 0.0001338300000000, 0.0000983800000000 ] - [ -0.0048674100000000, -0.0025531200000000, 0.0020414600000000 ] - [ -0.0010280700000000, 0.0003540100000000, 0.0009428500000000 ] - [ 0.0025739000000000, 0.0003379100000000, 0.0016581600000000 ] - [ 0.0069454600000000, 0.0049422500000000, -0.0004613900000000 ] - [ -0.0005660500000000, 0.0003194700000000, 0.0002783400000000 ] - [ -0.0003910600000000, 0.0000323600000000, 0.0005678200000000 ] - [ -0.0006036100000000, 0.0010833700000000, 0.0031329800000000 ] - [ -0.0009178600000000, 0.0036509500000000, 0.0037590400000000 ] - [ -0.0040902800000000, -0.0000206800000000, -0.0017816000000000 ] - [ 0.0000118100000000, 0.0000227300000000, -0.0007221900000000 ] - [ -0.0005546400000000, -0.0000754000000000, -0.0003593300000000 ] - [ -0.0020524200000000, 0.0009985400000000, -0.0023628300000000 ] - [ 0.0012722600000000, -0.0001220900000000, 0.0012242500000000 ] - [ 0.0000048500000000, 0.0003267900000000, -0.0013803500000000 ] - [ 0.0065875500000000, -0.0005096200000000, -0.0119548300000000 ] - [ 0.0036537100000000, -0.0003928600000000, 0.0002623400000000 ] - [ 0.0018797100000000, 0.0002766700000000, -0.0028759700000000 ] - [ -0.0003856000000000, -0.0003053700000000, 0.0013068900000000 ] - [ 0.0093259800000000, 0.0027727800000000, -0.0255411900000000 ] - [ -0.0008814100000000, -0.0001934600000000, 0.0003897000000000 ] - [ -0.0015230900000000, 0.0002175900000000, 0.0007094900000000 ] - [ -0.0000168400000000, -0.0002591100000000, 0.0004568400000000 ] - [ -0.0010942600000000, -0.0001934100000000, 0.0000588300000000 ] - [ 0.0015242500000000, 0.0003169500000000, 0.0065818800000000 ] - [ -0.0012754500000000, 0.0004796300000000, -0.0028854600000000 ] - [ -0.0118944400000000, -0.0022684000000000, 0.0070789600000000 ] - [ 0.0002566500000000, 0.0001713200000000, 0.0001916400000000 ] - [ 0.0006680000000000, -0.0005024400000000, 0.0006402600000000 ] - [ 0.0006659200000000, 0.0001716100000000, 0.0009182400000000 ] - [ 0.0178662800000000, -0.0605811100000000, -0.0458200500000000 ] - [ -0.0004189000000000, 0.0003354500000000, -0.0012607300000000 ] - [ 0.0026118500000000, 0.0003319100000000, -0.0007158600000000 ] - [ -0.0009048100000000, -0.0003870900000000, 0.0005823700000000 ] - [ -0.0006356500000000, 0.0001175400000000, -0.0005426600000000 ] - [ -0.0003928900000000, -0.0008798500000000, 0.0014696200000000 ] - [ -0.0010515200000000, -0.0022167700000000, 0.0057100500000000 ] - [ 0.0011961200000000, -0.0004520200000000, 0.0006879500000000 ] - [ 0.0001679800000000, 0.0001158800000000, -0.0000377700000000 ] - [ -0.0039955400000000, -0.0016236700000000, -0.0023240700000000 ]- atom: 23 displacement: [ 0.0099999987502926, 0.0000000000000000, -0.0000049994145799 ] forces: - [ 0.0054828500000000, -0.0029948500000000, -0.0156429200000000 ] - [ 0.0011975900000000, -0.0000333500000000, -0.0038393300000000 ] - [ -0.0044207100000000, -0.0003381800000000, 0.0012876300000000 ] - [ -0.0004572800000000, 0.0000973600000000, -0.0024907700000000 ] - [ 0.0019370000000000, -0.0001069600000000, 0.0014229500000000 ] - [ 0.0047462500000000, 0.0006124200000000, -0.0015082400000000 ] - [ -0.0236845200000000, 0.0023101800000000, 0.0177317800000000 ] - [ 0.0157321700000000, -0.0049027500000000, -0.0141895100000000 ] - [ 0.0017890100000000, 0.0002878000000000, 0.0011357300000000 ] - [ 0.0030247700000000, -0.0005674500000000, 0.0028475100000000 ] - [ 0.0006550300000000, 0.0003617100000000, -0.0009057900000000 ] - [ 0.0008699400000000, 0.0001725800000000, 0.0028669300000000 ] - [ -0.0004263600000000, -0.0003930300000000, -0.0061019800000000 ] - [ 0.0041878800000000, 0.0007531300000000, 0.0018576900000000 ] - [ 0.0026691700000000, -0.0000057100000000, 0.0007657900000000 ] - [ 0.0030839700000000, -0.0002616700000000, 0.0003223300000000 ] - [ 0.0005778700000000, -0.0002275300000000, 0.0019079800000000 ] - [ -0.0001843100000000, -0.0000580300000000, -0.0003767300000000 ] - [ 0.0005239000000000, -0.0000318400000000, -0.0001889800000000 ] - [ 0.0001087100000000, -0.0001793100000000, 0.0008330400000000 ] - [ 0.0073625000000000, 0.0013170100000000, -0.0024001900000000 ] - [ 0.0010446900000000, -0.0002622000000000, -0.0016641900000000 ] - [ -0.2755764400000000, -0.0120418400000000, -0.0216165800000000 ] - [ 0.0117172000000000, 0.0048411900000000, 0.0128756800000000 ] - [ 0.0019083900000000, -0.0001326700000000, -0.0043513400000000 ] - [ -0.0027175300000000, 0.0003752800000000, -0.0023635800000000 ] - [ 0.0045366800000000, -0.0004440300000000, 0.0022739200000000 ] - [ -0.0130804700000000, -0.0014590900000000, 0.0001617100000000 ] - [ 0.0002468500000000, 0.0000823000000000, -0.0035733300000000 ] - [ -0.0002676800000000, 0.0001254900000000, 0.0006119000000000 ] - [ 0.0035798000000000, -0.0012382100000000, 0.0012719000000000 ] - [ 0.0002403600000000, 0.0010740600000000, 0.0037256400000000 ] - [ 0.0022017300000000, 0.0002964000000000, 0.0005064300000000 ] - [ 0.0027665000000000, 0.0002433600000000, -0.0003240100000000 ] - [ 0.0007340100000000, 0.0011019100000000, 0.0024828700000000 ] - [ 0.0012864200000000, -0.0004861800000000, 0.0008992300000000 ] - [ 0.0054334100000000, -0.0005425000000000, -0.0011489000000000 ] - [ 0.0021365300000000, 0.0003907300000000, 0.0001963700000000 ] - [ 0.0008514300000000, -0.0002907000000000, 0.0016194700000000 ] - [ -0.0022616900000000, -0.0003233200000000, -0.0005227400000000 ] - [ 0.0002101200000000, -0.0001876900000000, 0.0002544400000000 ] - [ 0.0009380800000000, -0.0016609900000000, -0.0015960100000000 ] - [ -0.0004230900000000, -0.0005646900000000, 0.0004359400000000 ] - [ 0.0050611900000000, 0.0003137400000000, -0.0039177600000000 ] - [ -0.0007251100000000, -0.0002058800000000, 0.0012947100000000 ] - [ -0.0033167800000000, 0.0014389000000000, -0.0006243100000000 ] - [ -0.0000715700000000, 0.0000761700000000, -0.0006968000000000 ] - [ -0.0004784800000000, -0.0002585000000000, 0.0002720700000000 ] - [ -0.0000049300000000, -0.0005834300000000, -0.0008299800000000 ] - [ -0.0005483900000000, -0.0004077500000000, 0.0004834900000000 ] - [ -0.0003467500000000, -0.0000770700000000, -0.0012045000000000 ] - [ -0.0010988700000000, 0.0001650400000000, 0.0003578500000000 ] - [ -0.0022748700000000, 0.0002564300000000, 0.0019527700000000 ] - [ -0.0011451100000000, 0.0001049900000000, 0.0009202400000000 ] - [ 0.0035784000000000, 0.0012499500000000, -0.0004120000000000 ] - [ 0.0049457900000000, -0.0014940500000000, 0.0050091800000000 ] - [ 0.0038435900000000, 0.0019802800000000, 0.0029890700000000 ] - [ 0.0019899600000000, -0.0010059100000000, -0.0039105200000000 ] - [ 0.0854014900000000, 0.0828573100000000, 0.0359048800000000 ] - [ 0.0524155500000000, 0.0107124700000000, -0.0572737200000000 ] - [ 0.0003494000000000, -0.0005213200000000, 0.0023204500000000 ] - [ -0.0005572200000000, 0.0003640500000000, -0.0030224400000000 ] - [ -0.0005328500000000, 0.0000577200000000, 0.0014451900000000 ] - [ -0.0016955600000000, -0.0002374800000000, 0.0036572800000000 ] - [ -0.0010840500000000, -0.0003387700000000, 0.0000743000000000 ] - [ -0.0003523100000000, -0.0004547300000000, 0.0010102800000000 ] - [ -0.0004073900000000, 0.0000986700000000, -0.0005767800000000 ] - [ 0.0022772800000000, -0.0024273300000000, 0.0032224400000000 ] - [ 0.0011973800000000, 0.0004024700000000, 0.0000659700000000 ] - [ -0.0017429600000000, 0.0001521900000000, -0.0005163700000000 ] - [ 0.0125948700000000, -0.0006386300000000, 0.0036404000000000 ] - [ -0.0025365400000000, 0.0010992200000000, -0.0009064900000000 ] - [ -0.0003927700000000, -0.0012443200000000, -0.0019638600000000 ] - [ -0.0014775400000000, -0.0002791200000000, 0.0017070500000000 ] - [ 0.1161275100000000, -0.0787649300000000, 0.0391008900000000 ] - [ -0.0001548400000000, -0.0003775700000000, 0.0014400000000000 ] - [ -0.0011617300000000, -0.0003653300000000, 0.0002385800000000 ] - [ -0.0000255900000000, 0.0000669300000000, -0.0006358600000000 ] - [ -0.0009420900000000, -0.0002574700000000, -0.0004086400000000 ] - [ -0.0003996800000000, -0.0006170000000000, -0.0014210000000000 ] - [ -0.0020616700000000, -0.0005034700000000, -0.0011844800000000 ] - [ 0.0014474300000000, 0.0014453200000000, 0.0027257700000000 ] - [ -0.0011796600000000, 0.0003854500000000, -0.0005568500000000 ] - [ -0.0004312600000000, 0.0002136600000000, -0.0025545000000000 ] - [ -0.0007532000000000, 0.0003518500000000, 0.0001252000000000 ] - [ -0.0009519000000000, 0.0003539700000000, -0.0004341700000000 ] - [ -0.0022945200000000, 0.0004545000000000, -0.0012439300000000 ] - [ -0.0013564800000000, 0.0005798300000000, 0.0012021900000000 ] - [ -0.0009856200000000, -0.0007638100000000, -0.0002339400000000 ] - [ -0.0006289500000000, 0.0001538800000000, 0.0003056100000000 ] - [ -0.0006918000000000, 0.0000521600000000, -0.0013194900000000 ] - [ -0.0010815200000000, 0.0000997200000000, 0.0002758600000000 ] - [ -0.0004920500000000, -0.0000791600000000, -0.0013653000000000 ] - [ -0.0009345600000000, -0.0000822400000000, -0.0008074000000000 ] - [ -0.0000663000000000, 0.0005631300000000, -0.0017299200000000 ] - [ -0.0010780400000000, -0.0001526600000000, -0.0013906900000000 ] - [ 0.0011280700000000, 0.0003673200000000, 0.0012971900000000 ] - [ -0.0008632700000000, 0.0004154700000000, -0.0003717500000000 ] - [ -0.0004024000000000, -0.0002330000000000, 0.0005791500000000 ] - [ -0.0039756200000000, -0.0002363500000000, -0.0001768700000000 ] - [ -0.0012592700000000, -0.0003268300000000, -0.0004613900000000 ] - [ -0.0049815400000000, 0.0026062800000000, 0.0027802400000000 ] - [ -0.0007784200000000, 0.0004646300000000, 0.0008560500000000 ] - [ -0.0014670200000000, -0.0002186200000000, -0.0009419100000000 ] - [ -0.0012497000000000, 0.0004649100000000, 0.0000099200000000 ] - [ -0.0013476100000000, -0.0003450100000000, -0.0012368100000000 ] - [ -0.0037086300000000, -0.0018909200000000, -0.0039074300000000 ] - [ 0.0001965300000000, 0.0000653200000000, 0.0006950700000000 ] - [ 0.0017759000000000, 0.0009009300000000, 0.0022550000000000 ] - [ -0.0022681500000000, 0.0000562900000000, 0.0044374600000000 ] - [ -0.0022508600000000, -0.0005290000000000, -0.0011971600000000 ] - [ -0.0015970600000000, -0.0001816600000000, -0.0007065300000000 ]- atom: 23 displacement: [ -0.0099999987502926, 0.0000000000000000, 0.0000049994145799 ] forces: - [ -0.0054039100000000, 0.0038290700000000, 0.0156400900000000 ] - [ -0.0016970800000000, -0.0001111800000000, 0.0031477900000000 ] - [ 0.0041594200000000, 0.0009368600000000, -0.0025409300000000 ] - [ 0.0002276000000000, -0.0000275900000000, 0.0029182500000000 ] - [ -0.0019511000000000, -0.0003384400000000, -0.0014317900000000 ] - [ -0.0045228900000000, -0.0000169800000000, 0.0027710000000000 ] - [ 0.0241220600000000, -0.0024219300000000, -0.0171288200000000 ] - [ -0.0155023300000000, 0.0049179100000000, 0.0137318600000000 ] - [ -0.0017905600000000, 0.0005795200000000, -0.0011362600000000 ] - [ -0.0035514300000000, 0.0004220600000000, -0.0035550700000000 ] - [ -0.0008851800000000, 0.0002360400000000, -0.0003195900000000 ] - [ -0.0011190500000000, -0.0001068200000000, -0.0024582900000000 ] - [ 0.0004004100000000, -0.0000628900000000, 0.0061013900000000 ] - [ -0.0039501300000000, -0.0001535300000000, -0.0006245000000000 ] - [ -0.0021496900000000, -0.0001372300000000, -0.0000576000000000 ] - [ -0.0028630100000000, 0.0003300200000000, -0.0007424800000000 ] - [ -0.0000559200000000, -0.0001726200000000, -0.0018071100000000 ] - [ -0.0003143800000000, -0.0004186100000000, 0.0002718100000000 ] - [ -0.0000231200000000, -0.0003700400000000, 0.0002876400000000 ] - [ -0.0006079100000000, -0.0002939200000000, -0.0009342800000000 ] - [ -0.0075183700000000, -0.0024845000000000, 0.0032236100000000 ] - [ -0.0016638000000000, 0.0003123900000000, 0.0011025300000000 ] - [ 0.2709475800000000, 0.0138838700000000, 0.0178278600000000 ] - [ -0.0110933900000000, -0.0047712000000000, -0.0122278300000000 ] - [ -0.0029748500000000, 0.0012770600000000, 0.0043839600000000 ] - [ 0.0029230800000000, -0.0015403900000000, 0.0015940800000000 ] - [ -0.0038954500000000, -0.0000204500000000, -0.0023286500000000 ] - [ 0.0142254500000000, 0.0026199300000000, -0.0001611300000000 ] - [ -0.0009330300000000, 0.0001186300000000, 0.0025509700000000 ] - [ -0.0004106300000000, -0.0005945100000000, -0.0005725200000000 ] - [ -0.0037748900000000, 0.0000605700000000, -0.0005191100000000 ] - [ -0.0008896000000000, -0.0010262800000000, -0.0042961300000000 ] - [ -0.0015090400000000, -0.0000937900000000, 0.0005067600000000 ] - [ -0.0021449000000000, -0.0001949700000000, 0.0009014700000000 ] - [ -0.0018186400000000, 0.0000397300000000, -0.0024542900000000 ] - [ -0.0010876400000000, -0.0006894600000000, -0.0016573000000000 ] - [ -0.0047442300000000, 0.0000591300000000, 0.0010820500000000 ] - [ -0.0010716200000000, 0.0007572600000000, -0.0002458200000000 ] - [ -0.0015549500000000, 0.0004953600000000, -0.0026428700000000 ] - [ 0.0016160000000000, -0.0001535700000000, 0.0005887600000000 ] - [ -0.0005088800000000, 0.0003335700000000, -0.0004090000000000 ] - [ -0.0011908600000000, 0.0008835700000000, 0.0019191600000000 ] - [ 0.0006628800000000, -0.0002310100000000, -0.0007334800000000 ] - [ -0.0046905000000000, -0.0007261600000000, 0.0042245400000000 ] - [ 0.0003104400000000, -0.0002235500000000, -0.0016118400000000 ] - [ 0.0036469900000000, -0.0013004500000000, 0.0007790700000000 ] - [ -0.0002335100000000, 0.0000740700000000, 0.0005379800000000 ] - [ 0.0002401900000000, -0.0005297100000000, 0.0000382100000000 ] - [ 0.0002465600000000, -0.0002132800000000, 0.0005298200000000 ] - [ 0.0009565900000000, -0.0000243300000000, -0.0001635300000000 ] - [ -0.0000650400000000, -0.0003538800000000, 0.0008875300000000 ] - [ 0.0013992800000000, -0.0000153400000000, -0.0001988100000000 ] - [ 0.0027734900000000, 0.0003190600000000, -0.0020586000000000 ] - [ 0.0015825500000000, 0.0002924900000000, -0.0021325900000000 ] - [ -0.0035644100000000, -0.0007796600000000, 0.0014090500000000 ] - [ -0.0044420100000000, 0.0013344100000000, -0.0046964300000000 ] - [ -0.0040107100000000, -0.0020064500000000, -0.0035503900000000 ] - [ -0.0023827800000000, 0.0013885800000000, 0.0051280000000000 ] - [ -0.0834110700000000, -0.0804269800000000, -0.0345154100000000 ] - [ -0.0517998600000000, -0.0108849500000000, 0.0586584300000000 ] - [ 0.0001886600000000, 0.0000547500000000, -0.0020913100000000 ] - [ 0.0002097600000000, -0.0001272900000000, 0.0035757100000000 ] - [ 0.0006458100000000, 0.0001201500000000, -0.0014078600000000 ] - [ 0.0008749600000000, 0.0004791400000000, -0.0033596000000000 ] - [ 0.0019901500000000, 0.0003294700000000, -0.0000544000000000 ] - [ -0.0000386500000000, -0.0004149900000000, -0.0010304900000000 ] - [ 0.0004520800000000, 0.0001910200000000, 0.0007439900000000 ] - [ -0.0028034100000000, 0.0029991500000000, -0.0030991900000000 ] - [ -0.0015336900000000, -0.0005366300000000, 0.0006491100000000 ] - [ 0.0021525500000000, 0.0002979300000000, 0.0000948500000000 ] - [ -0.0130396000000000, 0.0000534900000000, -0.0040230400000000 ] - [ 0.0025147900000000, -0.0008181300000000, 0.0007468800000000 ] - [ -0.0005001500000000, 0.0012341100000000, 0.0019471500000000 ] - [ 0.0014490400000000, 0.0007477300000000, -0.0027118700000000 ] - [ -0.1124663400000000, 0.0745821000000000, -0.0372253600000000 ] - [ -0.0003368100000000, 0.0002370100000000, -0.0017656500000000 ] - [ 0.0015380100000000, 0.0006007200000000, -0.0007916200000000 ] - [ -0.0003671800000000, 0.0003844000000000, 0.0010605900000000 ] - [ 0.0002314200000000, 0.0000754700000000, 0.0005817000000000 ] - [ 0.0011205200000000, 0.0004388400000000, 0.0012581700000000 ] - [ 0.0024066000000000, 0.0003755300000000, 0.0004725800000000 ] - [ -0.0013633300000000, -0.0014499600000000, -0.0021953300000000 ] - [ 0.0016972600000000, 0.0001956400000000, 0.0004738800000000 ] - [ 0.0008786500000000, 0.0001898100000000, 0.0013415800000000 ] - [ 0.0007668700000000, 0.0001191500000000, 0.0008582800000000 ] - [ 0.0014530600000000, -0.0004999700000000, 0.0007640400000000 ] - [ 0.0021940300000000, -0.0004692600000000, 0.0007146500000000 ] - [ 0.0009191300000000, -0.0001806700000000, -0.0000016600000000 ] - [ 0.0013737700000000, -0.0001071100000000, 0.0002513100000000 ] - [ 0.0014366200000000, 0.0000931200000000, -0.0005923500000000 ] - [ 0.0012370800000000, -0.0005179700000000, 0.0015542800000000 ] - [ 0.0006991400000000, 0.0001340700000000, 0.0002650300000000 ] - [ 0.0006157800000000, 0.0002604000000000, 0.0014067400000000 ] - [ 0.0001293100000000, 0.0003294100000000, 0.0010949100000000 ] - [ 0.0009874600000000, -0.0005852900000000, 0.0017447600000000 ] - [ 0.0006995100000000, -0.0007204000000000, 0.0013770600000000 ] - [ -0.0011011700000000, -0.0000840700000000, -0.0011410200000000 ] - [ 0.0003443200000000, 0.0001642700000000, 0.0004558600000000 ] - [ 0.0000531600000000, 0.0001058500000000, 0.0001178500000000 ] - [ 0.0043643700000000, 0.0006939600000000, -0.0002367200000000 ] - [ 0.0007266900000000, -0.0001372300000000, 0.0002369000000000 ] - [ 0.0049198700000000, -0.0023249800000000, -0.0029194100000000 ] - [ -0.0001289800000000, -0.0004789000000000, -0.0008842700000000 ] - [ 0.0014527700000000, 0.0006889700000000, -0.0000417200000000 ] - [ 0.0011345400000000, -0.0002856700000000, -0.0000492900000000 ] - [ 0.0008623400000000, 0.0002040000000000, 0.0009165800000000 ] - [ 0.0041013400000000, 0.0021256500000000, 0.0033630000000000 ] - [ -0.0006026600000000, 0.0003861700000000, -0.0002831600000000 ] - [ -0.0024949500000000, -0.0010744300000000, -0.0021275000000000 ] - [ 0.0029928700000000, -0.0002299000000000, -0.0045970700000000 ] - [ 0.0025948300000000, 0.0004000800000000, 0.0004944100000000 ] - [ 0.0016996400000000, 0.0001668600000000, 0.0012368000000000 ]- atom: 23 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005974700000000, -0.0013696200000000, -0.0009318600000000 ] - [ -0.0002775500000000, -0.0000129600000000, -0.0002726700000000 ] - [ -0.0012698000000000, -0.0004539200000000, 0.0002451400000000 ] - [ -0.0004320300000000, 0.0001716700000000, 0.0003591000000000 ] - [ 0.0002927700000000, -0.0002182900000000, 0.0001570000000000 ] - [ 0.0002836600000000, 0.0002678400000000, 0.0006047600000000 ] - [ 0.0000401600000000, 0.0342028500000000, -0.0061209600000000 ] - [ -0.0021622800000000, 0.0252639100000000, -0.0005457800000000 ] - [ 0.0004252500000000, 0.0004280000000000, 0.0002362400000000 ] - [ 0.0008085400000000, -0.0002972700000000, 0.0004790000000000 ] - [ 0.0000295900000000, 0.0002940700000000, -0.0003457900000000 ] - [ 0.0001705400000000, 0.0000713400000000, 0.0008244200000000 ] - [ -0.0010730700000000, -0.0021753900000000, -0.0002025700000000 ] - [ 0.0014905100000000, 0.0010559700000000, -0.0001001500000000 ] - [ 0.0005963000000000, -0.0000445400000000, 0.0005213700000000 ] - [ 0.0003583900000000, 0.0000125000000000, -0.0001647100000000 ] - [ 0.0007382000000000, 0.0008138600000000, 0.0000720700000000 ] - [ -0.0002930800000000, -0.0002138600000000, -0.0000763700000000 ] - [ 0.0002708700000000, -0.0001656700000000, 0.0000026700000000 ] - [ -0.0002093300000000, -0.0002513500000000, 0.0000763800000000 ] - [ -0.0019994700000000, 0.0027723300000000, -0.0016247600000000 ] - [ -0.0002314000000000, 0.0000374200000000, -0.0001651400000000 ] - [ -0.0172553200000000, -0.2682690700000000, 0.0259107200000000 ] - [ 0.0124133500000000, -0.0062575000000000, 0.0079448200000000 ] - [ -0.0007338000000000, 0.0004647900000000, -0.0003224400000000 ] - [ -0.0005035700000000, -0.0010075700000000, -0.0003034000000000 ] - [ 0.0006715100000000, -0.0002185900000000, -0.0001445200000000 ] - [ 0.0002713300000000, 0.0070127000000000, 0.0027450900000000 ] - [ -0.0003221000000000, 0.0000072000000000, -0.0008322100000000 ] - [ -0.0004162200000000, -0.0001539500000000, 0.0003352900000000 ] - [ 0.0004576000000000, -0.0006968000000000, 0.0002007500000000 ] - [ -0.0006379900000000, 0.0007825400000000, 0.0006181200000000 ] - [ 0.0005398100000000, 0.0001232100000000, 0.0004892000000000 ] - [ 0.0004636200000000, 0.0000107700000000, 0.0003715400000000 ] - [ 0.0000206500000000, 0.0006953000000000, 0.0002532000000000 ] - [ 0.0005545000000000, -0.0005346800000000, 0.0000282800000000 ] - [ 0.0001457900000000, -0.0012972000000000, -0.0003899400000000 ] - [ 0.0006128100000000, 0.0005516400000000, 0.0000645700000000 ] - [ 0.0000346500000000, 0.0000150900000000, -0.0000484600000000 ] - [ -0.0002511800000000, -0.0005251700000000, 0.0005629300000000 ] - [ -0.0000018900000000, 0.0000130900000000, -0.0000991000000000 ] - [ -0.0002346000000000, -0.0009328900000000, -0.0001501200000000 ] - [ 0.0001434600000000, -0.0003885600000000, -0.0001015500000000 ] - [ 0.0001164300000000, -0.0001619200000000, 0.0001654200000000 ] - [ -0.0001280800000000, -0.0002459500000000, -0.0001188800000000 ] - [ 0.0000781600000000, -0.0001636200000000, 0.0005148800000000 ] - [ -0.0002108700000000, 0.0000725300000000, -0.0002811700000000 ] - [ -0.0000983500000000, -0.0003872200000000, 0.0001558300000000 ] - [ -0.0001589800000000, -0.0006092600000000, -0.0002399900000000 ] - [ 0.0001331700000000, -0.0002305500000000, 0.0002102500000000 ] - [ -0.0002978000000000, -0.0001702700000000, -0.0003142300000000 ] - [ 0.0000851400000000, 0.0000399400000000, 0.0002492600000000 ] - [ 0.0002170800000000, -0.0007124000000000, -0.0001739600000000 ] - [ 0.0001827300000000, 0.0002020300000000, -0.0006374000000000 ] - [ 0.0001039000000000, 0.0000131700000000, 0.0013502100000000 ] - [ 0.0009400100000000, -0.0028243000000000, 0.0033933000000000 ] - [ 0.0037366300000000, -0.0023360700000000, -0.0018153700000000 ] - [ -0.0011494500000000, 0.0002115800000000, -0.0044037100000000 ] - [ 0.0750500300000000, 0.1137627000000000, 0.0422012300000000 ] - [ 0.0111116900000000, 0.0292814700000000, -0.0282935400000000 ] - [ 0.0004864700000000, -0.0003106100000000, 0.0003002500000000 ] - [ 0.0002486600000000, 0.0000045800000000, 0.0007620100000000 ] - [ 0.0000130900000000, 0.0000805600000000, 0.0000587000000000 ] - [ -0.0007229000000000, -0.0002447000000000, 0.0007865100000000 ] - [ 0.0003694700000000, 0.0000058200000000, -0.0000340700000000 ] - [ -0.0001598300000000, -0.0004330600000000, -0.0000189300000000 ] - [ -0.0000655600000000, 0.0001269100000000, -0.0000803400000000 ] - [ 0.0004484900000000, -0.0002949400000000, -0.0006141300000000 ] - [ 0.0000817100000000, 0.0001610200000000, 0.0002095600000000 ] - [ 0.0001135200000000, 0.0001530600000000, -0.0001853100000000 ] - [ -0.0013817800000000, 0.0003372200000000, -0.0049283200000000 ] - [ -0.0001991000000000, 0.0002128300000000, -0.0001131900000000 ] - [ -0.0004130200000000, -0.0001745900000000, -0.0004344100000000 ] - [ 0.0004935800000000, 0.0004879900000000, -0.0004555700000000 ] - [ -0.0735069400000000, 0.0787120100000000, -0.0326663200000000 ] - [ 0.0000378800000000, 0.0002111900000000, -0.0000098900000000 ] - [ 0.0001089800000000, 0.0000839500000000, -0.0003226800000000 ] - [ -0.0001630700000000, 0.0001329000000000, -0.0001375400000000 ] - [ -0.0004116700000000, -0.0000843100000000, -0.0000720000000000 ] - [ 0.0002098400000000, -0.0000885600000000, -0.0001227900000000 ] - [ 0.0001715900000000, -0.0001038100000000, -0.0003208000000000 ] - [ 0.0004597300000000, 0.0007117600000000, 0.0003746700000000 ] - [ -0.0001142100000000, 0.0003800900000000, -0.0000423000000000 ] - [ -0.0000416100000000, 0.0001948000000000, -0.0010701000000000 ] - [ -0.0001644800000000, 0.0002691300000000, 0.0003505700000000 ] - [ 0.0001389100000000, -0.0000284500000000, 0.0001005600000000 ] - [ -0.0004304200000000, 0.0000541200000000, -0.0003960600000000 ] - [ -0.0002919600000000, 0.0002417100000000, 0.0005362500000000 ] - [ 0.0000726500000000, -0.0004733400000000, -0.0000311300000000 ] - [ 0.0002589600000000, 0.0001325000000000, -0.0000977100000000 ] - [ 0.0000024200000000, -0.0001887900000000, -0.0001538000000000 ] - [ -0.0003069500000000, 0.0001038900000000, 0.0001495000000000 ] - [ -0.0001165100000000, 0.0000184100000000, -0.0003072700000000 ] - [ -0.0005967300000000, 0.0000701100000000, -0.0000302300000000 ] - [ -0.0047367500000000, -0.0040488800000000, -0.0007646300000000 ] - [ -0.0004248900000000, -0.0003336900000000, -0.0003282500000000 ] - [ 0.0000579500000000, 0.0002021100000000, 0.0000776500000000 ] - [ -0.0004139500000000, 0.0003170900000000, -0.0001095500000000 ] - [ -0.0003060200000000, 0.0000286400000000, 0.0000689600000000 ] - [ 0.0016024700000000, 0.0000100900000000, -0.0000753300000000 ] - [ -0.0003625700000000, -0.0002504000000000, -0.0001618200000000 ] - [ -0.0004289000000000, -0.0005213100000000, 0.0009274600000000 ] - [ -0.0004897800000000, -0.0000538900000000, -0.0001000100000000 ] - [ -0.0004046800000000, -0.0000171500000000, -0.0004932700000000 ] - [ -0.0001704200000000, 0.0001314400000000, -0.0000362000000000 ] - [ -0.0005276800000000, -0.0001379000000000, -0.0003574600000000 ] - [ -0.0015570000000000, -0.0006753800000000, -0.0011145600000000 ] - [ -0.0002256200000000, 0.0002061800000000, -0.0000532900000000 ] - [ 0.0001943100000000, -0.0007470600000000, -0.0014849100000000 ] - [ 0.0003230300000000, -0.0001804800000000, 0.0007131100000000 ] - [ -0.0001498000000000, 0.0003438800000000, 0.0001773400000000 ] - [ -0.0004469500000000, -0.0000598100000000, 0.0000087800000000 ]- atom: 23 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004986700000000, 0.0021582200000000, 0.0008680300000000 ] - [ -0.0002199700000000, -0.0001301900000000, -0.0004206500000000 ] - [ 0.0010247100000000, 0.0010546000000000, -0.0015073600000000 ] - [ 0.0002241400000000, -0.0001064300000000, 0.0000495200000000 ] - [ -0.0003154700000000, -0.0002286600000000, -0.0001649700000000 ] - [ -0.0000508900000000, 0.0003302300000000, 0.0006410000000000 ] - [ 0.0006416800000000, -0.0343234100000000, 0.0070628400000000 ] - [ 0.0025429400000000, -0.0251781300000000, 0.0002382400000000 ] - [ -0.0004397400000000, 0.0004391500000000, -0.0002489500000000 ] - [ -0.0013638400000000, 0.0001566900000000, -0.0012112300000000 ] - [ -0.0002634400000000, 0.0003053100000000, -0.0008934800000000 ] - [ -0.0004285100000000, -0.0000068000000000, -0.0004281400000000 ] - [ 0.0011156400000000, 0.0017235800000000, 0.0002198100000000 ] - [ -0.0012906700000000, -0.0004638400000000, 0.0013310700000000 ] - [ -0.0000853800000000, -0.0001000800000000, 0.0001765300000000 ] - [ -0.0001390800000000, 0.0000557300000000, -0.0002567700000000 ] - [ -0.0002623800000000, -0.0012558100000000, 0.0000253200000000 ] - [ -0.0002035900000000, -0.0002641300000000, -0.0000359400000000 ] - [ 0.0002226900000000, -0.0002422900000000, 0.0001114600000000 ] - [ -0.0002898400000000, -0.0002222500000000, -0.0001914900000000 ] - [ 0.0017623700000000, -0.0038944700000000, 0.0024492800000000 ] - [ -0.0003842700000000, 0.0000115200000000, -0.0004061700000000 ] - [ 0.0086902900000000, 0.2658152000000000, -0.0290060400000000 ] - [ -0.0118595600000000, 0.0062619000000000, -0.0074413300000000 ] - [ -0.0003248000000000, 0.0006861600000000, 0.0003739600000000 ] - [ 0.0007174800000000, -0.0001555200000000, -0.0004638100000000 ] - [ -0.0000317500000000, -0.0002534000000000, 0.0000976200000000 ] - [ 0.0009464400000000, -0.0058098500000000, -0.0028819200000000 ] - [ -0.0003563300000000, 0.0001928900000000, -0.0001943800000000 ] - [ -0.0002606900000000, -0.0003154400000000, -0.0003019900000000 ] - [ -0.0006725900000000, -0.0004778800000000, 0.0005515100000000 ] - [ -0.0000025700000000, -0.0007438900000000, -0.0012160200000000 ] - [ 0.0001479000000000, 0.0000794300000000, 0.0005252600000000 ] - [ 0.0001569100000000, 0.0000386100000000, 0.0002013800000000 ] - [ -0.0011286900000000, 0.0004445000000000, -0.0002247000000000 ] - [ -0.0003734500000000, -0.0006439400000000, -0.0008041900000000 ] - [ 0.0005175400000000, 0.0008209200000000, 0.0003542900000000 ] - [ 0.0004505200000000, 0.0005968100000000, -0.0001120300000000 ] - [ -0.0007507100000000, 0.0001928700000000, -0.0009912800000000 ] - [ -0.0004053200000000, 0.0000602400000000, -0.0005357400000000 ] - [ -0.0003015200000000, 0.0001348000000000, -0.0000633100000000 ] - [ -0.0000056600000000, 0.0001506600000000, 0.0004816800000000 ] - [ 0.0000871500000000, -0.0004112600000000, -0.0002039800000000 ] - [ 0.0002386000000000, -0.0003974200000000, 0.0001859600000000 ] - [ -0.0002973300000000, -0.0001788400000000, -0.0002041500000000 ] - [ 0.0002416900000000, 0.0003368100000000, -0.0003852600000000 ] - [ -0.0000944400000000, 0.0000811700000000, 0.0001263800000000 ] - [ -0.0001313000000000, -0.0004040000000000, 0.0001580700000000 ] - [ 0.0004252900000000, -0.0001887300000000, -0.0000499800000000 ] - [ 0.0002846600000000, -0.0001982200000000, 0.0001123500000000 ] - [ -0.0001128900000000, -0.0002610800000000, 0.0000000700000000 ] - [ 0.0002241900000000, 0.0001113700000000, -0.0000880500000000 ] - [ 0.0002781200000000, 0.0012577500000000, 0.0000663100000000 ] - [ 0.0002506800000000, 0.0001940200000000, -0.0005691600000000 ] - [ -0.0000969600000000, 0.0004657200000000, -0.0003585800000000 ] - [ -0.0004983000000000, 0.0026861000000000, -0.0030581100000000 ] - [ -0.0038071600000000, 0.0023108000000000, 0.0012150000000000 ] - [ 0.0007102800000000, 0.0001964300000000, 0.0056327800000000 ] - [ -0.0698653500000000, -0.1092796300000000, -0.0398108500000000 ] - [ -0.0102136200000000, -0.0287286600000000, 0.0280287800000000 ] - [ 0.0000400900000000, -0.0001529200000000, -0.0000744000000000 ] - [ -0.0006221500000000, 0.0002181700000000, -0.0002033400000000 ] - [ 0.0000951800000000, 0.0000964500000000, -0.0000176100000000 ] - [ -0.0001037800000000, 0.0004860700000000, -0.0004809900000000 ] - [ 0.0005358000000000, -0.0000168300000000, 0.0000579600000000 ] - [ -0.0002348700000000, -0.0004366300000000, 0.0000010000000000 ] - [ 0.0001133600000000, 0.0001610800000000, 0.0002493800000000 ] - [ -0.0009805700000000, 0.0008524800000000, 0.0007378200000000 ] - [ -0.0004234300000000, -0.0002993100000000, 0.0005069200000000 ] - [ 0.0002937100000000, 0.0003043800000000, -0.0002379200000000 ] - [ 0.0008030800000000, -0.0008739800000000, 0.0046646200000000 ] - [ 0.0001762000000000, 0.0000663700000000, -0.0000452500000000 ] - [ -0.0004801500000000, 0.0001707300000000, 0.0004245800000000 ] - [ -0.0005067700000000, -0.0000013900000000, -0.0005516700000000 ] - [ 0.0774078700000000, -0.0813257000000000, 0.0341741700000000 ] - [ -0.0005464600000000, -0.0003581100000000, -0.0003198800000000 ] - [ 0.0002652800000000, 0.0001497600000000, -0.0002264000000000 ] - [ -0.0002306600000000, 0.0003210300000000, 0.0005672100000000 ] - [ -0.0002966100000000, -0.0000969400000000, 0.0002477100000000 ] - [ 0.0005177200000000, -0.0000920200000000, -0.0000468600000000 ] - [ 0.0001823200000000, -0.0000300500000000, -0.0003837400000000 ] - [ -0.0003782500000000, -0.0007117100000000, 0.0001518100000000 ] - [ 0.0006444100000000, 0.0001978300000000, -0.0000384900000000 ] - [ 0.0004906600000000, 0.0002055300000000, -0.0001225600000000 ] - [ 0.0001832000000000, 0.0002027800000000, 0.0006399400000000 ] - [ 0.0003624200000000, -0.0001148500000000, 0.0002289900000000 ] - [ 0.0003428700000000, -0.0000713000000000, -0.0001277100000000 ] - [ -0.0001439600000000, 0.0001552700000000, 0.0006685800000000 ] - [ 0.0003170700000000, -0.0003986300000000, 0.0000502500000000 ] - [ 0.0005534000000000, 0.0001150000000000, -0.0001907800000000 ] - [ 0.0005563600000000, -0.0002793100000000, 0.0003947200000000 ] - [ -0.0000713600000000, 0.0001299900000000, 0.0003968100000000 ] - [ 0.0002472200000000, 0.0001668200000000, 0.0003586600000000 ] - [ -0.0002043500000000, 0.0001791900000000, 0.0003277600000000 ] - [ 0.0057123700000000, 0.0040449400000000, 0.0007965100000000 ] - [ 0.0000545600000000, -0.0005447900000000, 0.0003249100000000 ] - [ -0.0000332500000000, 0.0000760500000000, 0.0000868400000000 ] - [ -0.0001015400000000, 0.0002593200000000, 0.0002019600000000 ] - [ -0.0000373100000000, -0.0001657200000000, 0.0006433300000000 ] - [ -0.0011940600000000, 0.0004446400000000, -0.0003564700000000 ] - [ -0.0001712800000000, -0.0002139300000000, -0.0000626600000000 ] - [ 0.0003861500000000, 0.0008046800000000, -0.0011033400000000 ] - [ -0.0004167000000000, 0.0000437500000000, 0.0000768700000000 ] - [ 0.0004017000000000, 0.0004938500000000, -0.0004872400000000 ] - [ 0.0000558300000000, 0.0000484000000000, -0.0000020000000000 ] - [ 0.0000545200000000, 0.0000038000000000, 0.0000418900000000 ] - [ 0.0019855000000000, 0.0009325400000000, 0.0006061200000000 ] - [ -0.0001805900000000, 0.0002522700000000, 0.0004807300000000 ] - [ -0.0009597500000000, 0.0005416500000000, 0.0016731300000000 ] - [ 0.0003899800000000, 0.0000049600000000, -0.0009024800000000 ] - [ 0.0005084900000000, -0.0004798300000000, -0.0008861300000000 ] - [ 0.0005653400000000, 0.0000482700000000, 0.0005321700000000 ]- atom: 23 displacement: [ -0.0057565208649526, 0.0000000000000000, 0.0081769473235044 ] forces: - [ -0.0145158700000000, 0.0060821500000000, 0.0241954300000000 ] - [ -0.0049153400000000, -0.0001557500000000, 0.0032721900000000 ] - [ 0.0043281400000000, 0.0003705800000000, 0.0024371100000000 ] - [ -0.0033902000000000, 0.0002777300000000, 0.0053518700000000 ] - [ 0.0002517200000000, -0.0003495000000000, -0.0004923500000000 ] - [ -0.0051797600000000, 0.0005288800000000, -0.0004173400000000 ] - [ 0.0268713800000000, -0.0119697800000000, 0.0022987800000000 ] - [ -0.0136175000000000, 0.0048233600000000, -0.0045559800000000 ] - [ -0.0002997100000000, 0.0005753100000000, 0.0002216300000000 ] - [ 0.0003454100000000, 0.0001261900000000, -0.0010100300000000 ] - [ -0.0011101900000000, 0.0002819600000000, 0.0017029000000000 ] - [ 0.0013681300000000, 0.0002133300000000, 0.0003198600000000 ] - [ -0.0088257800000000, -0.0020977100000000, 0.0075233200000000 ] - [ -0.0008524200000000, 0.0000802300000000, -0.0014446900000000 ] - [ -0.0013051600000000, -0.0000599500000000, 0.0009217000000000 ] - [ -0.0013346900000000, 0.0003132000000000, -0.0007720100000000 ] - [ 0.0017899700000000, 0.0005402500000000, -0.0010044700000000 ] - [ -0.0005248500000000, -0.0002339300000000, 0.0005421400000000 ] - [ 0.0000827000000000, -0.0002256600000000, 0.0002487600000000 ] - [ 0.0003014000000000, 0.0003165700000000, 0.0004097900000000 ] - [ -0.0162311400000000, -0.0053086200000000, -0.0077757800000000 ] - [ -0.0029860500000000, 0.0004439800000000, 0.0018578200000000 ] - [ 0.1441155300000000, 0.0316745300000000, -0.2225673100000000 ] - [ 0.0016748500000000, -0.0000520900000000, -0.0081647300000000 ] - [ -0.0051169600000000, 0.0007149600000000, 0.0033590200000000 ] - [ 0.0009804300000000, -0.0014688700000000, 0.0048037000000000 ] - [ -0.0013345300000000, -0.0012337900000000, -0.0039824000000000 ] - [ 0.0121978700000000, 0.0083351700000000, 0.0120355400000000 ] - [ -0.0031853200000000, 0.0003734700000000, 0.0041438300000000 ] - [ 0.0007524200000000, -0.0008499700000000, 0.0020195700000000 ] - [ -0.0018045900000000, -0.0002469900000000, -0.0001641900000000 ] - [ 0.0027293600000000, -0.0002763000000000, -0.0010415200000000 ] - [ -0.0007225100000000, -0.0000259300000000, 0.0008054600000000 ] - [ -0.0023909000000000, -0.0003421400000000, 0.0008464000000000 ] - [ 0.0017686400000000, 0.0004919300000000, -0.0014407400000000 ] - [ 0.0007640600000000, -0.0005429900000000, 0.0007224500000000 ] - [ -0.0040829400000000, 0.0005557100000000, -0.0017207500000000 ] - [ -0.0004081000000000, 0.0005085400000000, 0.0006549300000000 ] - [ 0.0006945000000000, -0.0000560400000000, -0.0005085900000000 ] - [ 0.0014550200000000, -0.0014575700000000, 0.0050122900000000 ] - [ -0.0002702400000000, 0.0003202800000000, -0.0013821400000000 ] - [ -0.0020423700000000, 0.0000353000000000, -0.0004746300000000 ] - [ 0.0008410700000000, -0.0000711400000000, -0.0006245300000000 ] - [ -0.0044460000000000, -0.0012765800000000, 0.0034084300000000 ] - [ 0.0011737400000000, -0.0003770500000000, -0.0023539800000000 ] - [ 0.0009159600000000, -0.0004751500000000, 0.0037334100000000 ] - [ -0.0004923000000000, 0.0000392900000000, -0.0006788200000000 ] - [ 0.0002290700000000, -0.0005006600000000, -0.0001563900000000 ] - [ -0.0010441600000000, -0.0007360100000000, 0.0003004800000000 ] - [ 0.0006570700000000, -0.0001237500000000, -0.0001899600000000 ] - [ -0.0009577300000000, -0.0000260900000000, 0.0000066600000000 ] - [ 0.0009009500000000, -0.0000560300000000, 0.0000226900000000 ] - [ 0.0068976600000000, 0.0016065600000000, -0.0004474300000000 ] - [ 0.0024540400000000, 0.0007902800000000, -0.0022005000000000 ] - [ -0.0020727900000000, -0.0011553500000000, -0.0017739600000000 ] - [ 0.0013786900000000, -0.0008759000000000, -0.0033042300000000 ] - [ 0.0051125600000000, -0.0030320100000000, -0.0004290100000000 ] - [ -0.0062655100000000, 0.0020124000000000, 0.0028345600000000 ] - [ -0.0230707300000000, -0.0109823400000000, 0.0232305400000000 ] - [ -0.0741587000000000, -0.0306830000000000, 0.1755718200000000 ] - [ 0.0021399600000000, -0.0003015700000000, -0.0021800700000000 ] - [ -0.0034492200000000, 0.0002296500000000, -0.0001255200000000 ] - [ 0.0021880100000000, 0.0007348900000000, -0.0020811900000000 ] - [ 0.0030929600000000, 0.0008710900000000, -0.0056857600000000 ] - [ 0.0019599200000000, 0.0002332700000000, 0.0000365300000000 ] - [ 0.0012582800000000, -0.0008757300000000, -0.0012989100000000 ] - [ -0.0008392500000000, -0.0001956500000000, -0.0003120300000000 ] - [ -0.0020056600000000, 0.0029491200000000, -0.0046865500000000 ] - [ -0.0018021300000000, 0.0003830800000000, -0.0013295400000000 ] - [ 0.0012091900000000, 0.0000489300000000, 0.0008066400000000 ] - [ -0.0063165200000000, -0.0077641200000000, -0.0093249400000000 ] - [ 0.0012167800000000, -0.0002441400000000, 0.0008181000000000 ] - [ -0.0018026200000000, 0.0002476500000000, -0.0000790100000000 ] - [ 0.0038598300000000, 0.0010648300000000, -0.0009509700000000 ] - [ -0.0398233100000000, 0.0189107600000000, 0.0150360300000000 ] - [ 0.0020589700000000, 0.0016242900000000, -0.0014976200000000 ] - [ 0.0024048400000000, 0.0003240700000000, -0.0002890000000000 ] - [ -0.0009808400000000, 0.0001332300000000, -0.0004130500000000 ] - [ -0.0003967800000000, 0.0002875100000000, -0.0004314500000000 ] - [ -0.0000042800000000, 0.0006110200000000, 0.0012899500000000 ] - [ 0.0033210600000000, 0.0004173700000000, 0.0022026800000000 ] - [ 0.0009001000000000, -0.0025567600000000, -0.0029128400000000 ] - [ 0.0006147900000000, 0.0002332700000000, 0.0002318100000000 ] - [ -0.0008303300000000, -0.0000800100000000, 0.0008875400000000 ] - [ 0.0002674500000000, 0.0001615300000000, -0.0000851800000000 ] - [ 0.0006483900000000, -0.0001692000000000, 0.0003146200000000 ] - [ 0.0008782200000000, -0.0001765700000000, -0.0000196100000000 ] - [ 0.0010793400000000, -0.0000270200000000, -0.0005314800000000 ] - [ 0.0009344700000000, -0.0002911600000000, 0.0000661000000000 ] - [ 0.0010243700000000, 0.0001241900000000, -0.0007522300000000 ] - [ -0.0004086200000000, -0.0002511600000000, 0.0003298400000000 ] - [ 0.0008762600000000, -0.0001300000000000, -0.0002109700000000 ] - [ -0.0006666000000000, -0.0000240900000000, 0.0001646500000000 ] - [ -0.0007321100000000, 0.0001713400000000, 0.0004324800000000 ] - [ 0.0012831800000000, -0.0019588100000000, 0.0031674400000000 ] - [ -0.0009486200000000, -0.0003108000000000, -0.0000719900000000 ] - [ -0.0001488400000000, 0.0005422900000000, -0.0021456600000000 ] - [ -0.0001458600000000, 0.0003840700000000, -0.0005290900000000 ] - [ -0.0003021900000000, 0.0009280500000000, -0.0019478200000000 ] - [ 0.0022201000000000, 0.0003688100000000, 0.0010353100000000 ] - [ 0.0000540800000000, -0.0003006100000000, -0.0001613800000000 ] - [ 0.0048843400000000, -0.0008327700000000, 0.0000907000000000 ] - [ 0.0005260600000000, -0.0008999500000000, -0.0015033800000000 ] - [ 0.0002702200000000, 0.0003695000000000, -0.0002044300000000 ] - [ 0.0006721100000000, -0.0000485300000000, -0.0001636800000000 ] - [ -0.0010429700000000, -0.0003346800000000, -0.0001505000000000 ] - [ 0.0002322000000000, 0.0005047300000000, 0.0013993400000000 ] - [ 0.0000549400000000, -0.0002821800000000, -0.0021393500000000 ] - [ 0.0007351500000000, 0.0005996700000000, -0.0074934500000000 ] - [ 0.0046107700000000, -0.0010228500000000, -0.0017624100000000 ] - [ 0.0013535100000000, 0.0006617600000000, 0.0013875600000000 ] - [ -0.0002603700000000, -0.0001491100000000, 0.0000371000000000 ]- atom: 23 displacement: [ 0.0057565208649526, 0.0000000000000000, -0.0081769473235044 ] forces: - [ 0.0144470400000000, -0.0052214500000000, -0.0240351900000000 ] - [ 0.0043976700000000, 0.0000085000000000, -0.0039738000000000 ] - [ -0.0045391400000000, 0.0002312600000000, -0.0036833000000000 ] - [ 0.0031735500000000, -0.0002132900000000, -0.0049451900000000 ] - [ -0.0002577200000000, -0.0001014700000000, 0.0004864000000000 ] - [ 0.0054076100000000, 0.0000723400000000, 0.0016351800000000 ] - [ -0.0261279500000000, 0.0117405500000000, -0.0017427200000000 ] - [ 0.0138351300000000, -0.0048111200000000, 0.0043728600000000 ] - [ 0.0002853800000000, 0.0002937000000000, -0.0002287200000000 ] - [ -0.0009012800000000, -0.0002654200000000, 0.0002841800000000 ] - [ 0.0008677900000000, 0.0003177700000000, -0.0029401700000000 ] - [ -0.0016107000000000, -0.0001473200000000, 0.0000867200000000 ] - [ 0.0089157200000000, 0.0016753900000000, -0.0075722300000000 ] - [ 0.0010459500000000, 0.0005097000000000, 0.0026839400000000 ] - [ 0.0018159400000000, -0.0000848000000000, -0.0002240200000000 ] - [ 0.0015638600000000, -0.0002446500000000, 0.0003424600000000 ] - [ -0.0012735300000000, -0.0009364800000000, 0.0011226400000000 ] - [ 0.0000305500000000, -0.0002401800000000, -0.0006443700000000 ] - [ 0.0004120200000000, -0.0001796100000000, -0.0001454000000000 ] - [ -0.0007992800000000, -0.0007924900000000, -0.0005137100000000 ] - [ 0.0159921500000000, 0.0041303800000000, 0.0084744100000000 ] - [ 0.0023617500000000, -0.0003966200000000, -0.0024348300000000 ] - [ -0.1381039600000000, -0.0282280200000000, 0.2125944800000000 ] - [ -0.0011764000000000, 0.0000889700000000, 0.0086267900000000 ] - [ 0.0040667800000000, 0.0004361400000000, -0.0033113900000000 ] - [ -0.0007671700000000, 0.0002882600000000, -0.0055510500000000 ] - [ 0.0019981400000000, 0.0007545000000000, 0.0039193500000000 ] - [ -0.0112855200000000, -0.0073360700000000, -0.0121760700000000 ] - [ 0.0024974500000000, -0.0001683400000000, -0.0051577900000000 ] - [ -0.0014161300000000, 0.0003773600000000, -0.0019753600000000 ] - [ 0.0015942500000000, -0.0009278000000000, 0.0009240800000000 ] - [ -0.0033653100000000, 0.0003166100000000, 0.0004389600000000 ] - [ 0.0014127500000000, 0.0002290400000000, 0.0002112600000000 ] - [ 0.0030101800000000, 0.0003910200000000, -0.0002810100000000 ] - [ -0.0028533000000000, 0.0006539800000000, 0.0014741500000000 ] - [ -0.0005891800000000, -0.0006370400000000, -0.0014926800000000 ] - [ 0.0047646200000000, -0.0010398800000000, 0.0017063400000000 ] - [ 0.0014799300000000, 0.0006385600000000, -0.0006966900000000 ] - [ -0.0014049900000000, 0.0002630800000000, -0.0005205100000000 ] - [ -0.0021364800000000, 0.0009966500000000, -0.0049866000000000 ] - [ -0.0000483200000000, -0.0001630000000000, 0.0012332100000000 ] - [ 0.0018028500000000, -0.0008314900000000, 0.0007854100000000 ] - [ -0.0005882700000000, -0.0007322400000000, 0.0003201800000000 ] - [ 0.0048631500000000, 0.0008929300000000, -0.0031409000000000 ] - [ -0.0015833500000000, -0.0000566200000000, 0.0020408400000000 ] - [ -0.0006178400000000, 0.0006400900000000, -0.0035745600000000 ] - [ 0.0001859700000000, 0.0001142200000000, 0.0005279400000000 ] - [ -0.0004833100000000, -0.0002869700000000, 0.0004725600000000 ] - [ 0.0012996400000000, -0.0000602600000000, -0.0006068800000000 ] - [ -0.0002556300000000, -0.0003153700000000, 0.0005004100000000 ] - [ 0.0005586200000000, -0.0004104200000000, -0.0003188900000000 ] - [ -0.0005820300000000, 0.0002161400000000, 0.0001212000000000 ] - [ -0.0063754400000000, -0.0010212600000000, 0.0003653400000000 ] - [ -0.0020167100000000, -0.0003905000000000, 0.0009977700000000 ] - [ 0.0020674000000000, 0.0016167500000000, 0.0027662900000000 ] - [ -0.0009014000000000, 0.0007348200000000, 0.0036219500000000 ] - [ -0.0052078400000000, 0.0029366700000000, -0.0001095400000000 ] - [ 0.0058150700000000, -0.0016108400000000, -0.0015813900000000 ] - [ 0.0230524500000000, 0.0096782100000000, -0.0230785300000000 ] - [ 0.0703427800000000, 0.0282220000000000, -0.1651378600000000 ] - [ -0.0016120500000000, -0.0001583800000000, 0.0024077600000000 ] - [ 0.0030793800000000, 0.0000027500000000, 0.0006976700000000 ] - [ -0.0020719000000000, -0.0005527700000000, 0.0021227500000000 ] - [ -0.0038972100000000, -0.0006210900000000, 0.0059669200000000 ] - [ -0.0010553800000000, -0.0002446900000000, -0.0000103600000000 ] - [ -0.0016463200000000, 0.0000014000000000, 0.0012841200000000 ] - [ 0.0008715600000000, 0.0004784800000000, 0.0004766000000000 ] - [ 0.0014706200000000, -0.0023518200000000, 0.0047677100000000 ] - [ 0.0014485500000000, -0.0005205900000000, 0.0020419800000000 ] - [ -0.0008067000000000, 0.0004069900000000, -0.0012259300000000 ] - [ 0.0059904800000000, 0.0073176000000000, 0.0090318500000000 ] - [ -0.0012448800000000, 0.0005273900000000, -0.0009743200000000 ] - [ 0.0009042000000000, -0.0002484700000000, 0.0000714000000000 ] - [ -0.0038731100000000, -0.0005970200000000, -0.0000283900000000 ] - [ 0.0392203400000000, -0.0185870600000000, -0.0148764900000000 ] - [ -0.0025674400000000, -0.0017778200000000, 0.0011728400000000 ] - [ -0.0020232100000000, -0.0000906000000000, -0.0002507200000000 ] - [ 0.0005774900000000, 0.0003243900000000, 0.0008434900000000 ] - [ -0.0003204300000000, -0.0004692100000000, 0.0006060000000000 ] - [ 0.0007249800000000, -0.0007919300000000, -0.0014563100000000 ] - [ -0.0029671600000000, -0.0005465600000000, -0.0029000200000000 ] - [ -0.0008126700000000, 0.0025434000000000, 0.0034391200000000 ] - [ -0.0000839200000000, 0.0003418800000000, -0.0003192200000000 ] - [ 0.0012786300000000, 0.0004801800000000, -0.0020812300000000 ] - [ -0.0002447500000000, 0.0003085600000000, 0.0010741600000000 ] - [ -0.0001562000000000, 0.0000285200000000, 0.0000116300000000 ] - [ -0.0009678700000000, 0.0001613900000000, -0.0005090100000000 ] - [ -0.0015149600000000, 0.0004250000000000, 0.0017394400000000 ] - [ -0.0005473000000000, -0.0005841100000000, -0.0000476200000000 ] - [ -0.0002138200000000, 0.0001232400000000, 0.0004618200000000 ] - [ 0.0009559200000000, -0.0002155600000000, -0.0000951000000000 ] - [ -0.0012513500000000, 0.0003631200000000, 0.0007582800000000 ] - [ 0.0007944700000000, 0.0002102700000000, -0.0001156700000000 ] - [ -0.0000667300000000, 0.0000779500000000, -0.0001395600000000 ] - [ -0.0003003100000000, 0.0019593800000000, -0.0031441700000000 ] - [ 0.0005743700000000, -0.0005676400000000, 0.0000661300000000 ] - [ 0.0001810900000000, -0.0002601600000000, 0.0023157600000000 ] - [ -0.0003683100000000, 0.0001923600000000, 0.0006216100000000 ] - [ -0.0000371900000000, -0.0010644500000000, 0.0026674000000000 ] - [ -0.0018026200000000, 0.0000968800000000, -0.0014803500000000 ] - [ -0.0005941900000000, -0.0001652400000000, -0.0000649600000000 ] - [ -0.0049462600000000, 0.0011054900000000, -0.0002746300000000 ] - [ -0.0014277200000000, 0.0008927800000000, 0.0014853900000000 ] - [ -0.0002744100000000, 0.0001080200000000, -0.0007803100000000 ] - [ -0.0007902200000000, 0.0002325900000000, 0.0001254000000000 ] - [ 0.0005599400000000, 0.0001963000000000, -0.0001686200000000 ] - [ 0.0001892200000000, -0.0002518900000000, -0.0019108800000000 ] - [ -0.0004549900000000, 0.0007385800000000, 0.0025733600000000 ] - [ -0.0014499200000000, -0.0007778100000000, 0.0077040900000000 ] - [ -0.0039090200000000, 0.0008501200000000, 0.0015701000000000 ] - [ -0.0009963200000000, -0.0008027200000000, -0.0021109200000000 ] - [ 0.0003796900000000, 0.0001380100000000, 0.0005040600000000 ]- atom: 25 displacement: [ 0.0099999987502926, 0.0000000000000000, -0.0000049994145799 ] forces: - [ -0.0013222600000000, -0.0007609100000000, -0.0044200000000000 ] - [ -0.0046939300000000, 0.0007559100000000, -0.0023655200000000 ] - [ 0.0037774500000000, 0.0002606400000000, -0.0052074300000000 ] - [ 0.0119363100000000, 0.0006471500000000, 0.0298438000000000 ] - [ 0.0041939900000000, -0.0003302400000000, 0.0003458400000000 ] - [ 0.0005631300000000, 0.0005287000000000, 0.0007459400000000 ] - [ 0.0017584200000000, 0.0002031400000000, -0.0051272500000000 ] - [ 0.0073450100000000, 0.0011268700000000, -0.0145765900000000 ] - [ 0.0001726800000000, 0.0007184900000000, 0.0018254500000000 ] - [ 0.0001938200000000, 0.0000650700000000, -0.0008931900000000 ] - [ 0.0009703000000000, 0.0000598300000000, 0.0027278300000000 ] - [ 0.0034929700000000, 0.0001529900000000, -0.0009869100000000 ] - [ 0.0235586800000000, -0.0073405200000000, -0.0029497600000000 ] - [ -0.0036940800000000, -0.0005069400000000, -0.0019439300000000 ] - [ 0.0008682700000000, -0.0002338700000000, 0.0035346500000000 ] - [ 0.0030831300000000, -0.0001199500000000, 0.0018774100000000 ] - [ 0.0008131800000000, -0.0002369500000000, -0.0000855500000000 ] - [ 0.0027305500000000, -0.0013045300000000, -0.0004586200000000 ] - [ 0.0014177500000000, -0.0012821900000000, 0.0032109900000000 ] - [ 0.0001736700000000, -0.0001395800000000, 0.0002005000000000 ] - [ 0.0009515300000000, -0.0006833400000000, -0.0018821900000000 ] - [ -0.0021971100000000, 0.0012317800000000, 0.0020696400000000 ] - [ 0.0027966700000000, -0.0001017200000000, -0.0033920000000000 ] - [ 0.0012944000000000, 0.0007297800000000, -0.0042251500000000 ] - [ -0.2728194600000000, 0.0071848900000000, -0.0441358100000000 ] - [ 0.0030390700000000, 0.0007550200000000, -0.0103293500000000 ] - [ 0.0025024800000000, -0.0004369200000000, 0.0004909600000000 ] - [ 0.0099338300000000, -0.0007839900000000, -0.0022502200000000 ] - [ -0.0140285800000000, 0.0004377600000000, 0.0043102600000000 ] - [ 0.0046083500000000, -0.0000511700000000, -0.0016273300000000 ] - [ -0.0041326900000000, 0.0008810800000000, 0.0023643300000000 ] - [ 0.0016352400000000, -0.0005413400000000, -0.0029013100000000 ] - [ 0.0016262700000000, 0.0006776500000000, 0.0042456800000000 ] - [ 0.0007453400000000, -0.0003742500000000, 0.0021282400000000 ] - [ 0.0026984900000000, 0.0008365900000000, -0.0001628400000000 ] - [ 0.0025284400000000, -0.0002486600000000, 0.0014698600000000 ] - [ -0.0209347300000000, -0.0085086100000000, -0.0140129400000000 ] - [ 0.0062515600000000, -0.0002732100000000, 0.0015190700000000 ] - [ 0.0012593600000000, 0.0000206000000000, -0.0005352600000000 ] - [ 0.0046098300000000, -0.0011224900000000, 0.0054160800000000 ] - [ -0.0017554400000000, 0.0000659700000000, 0.0025695400000000 ] - [ -0.0014442500000000, 0.0001019500000000, 0.0001847900000000 ] - [ 0.0005199000000000, -0.0019624700000000, -0.0032995300000000 ] - [ -0.0016833200000000, -0.0005384400000000, 0.0022249200000000 ] - [ 0.0022166400000000, -0.0000835500000000, 0.0039498000000000 ] - [ -0.0005596300000000, 0.0001685000000000, 0.0006635000000000 ] - [ -0.0010827500000000, -0.0000212100000000, -0.0005549100000000 ] - [ -0.0035466900000000, -0.0006685100000000, -0.0005570800000000 ] - [ -0.0008575600000000, -0.0006041000000000, -0.0001292800000000 ] - [ -0.0003133500000000, -0.0006280500000000, -0.0018157500000000 ] - [ -0.0011006500000000, 0.0000379100000000, 0.0001119700000000 ] - [ 0.0022904300000000, -0.0007165300000000, -0.0027092400000000 ] - [ 0.0004171100000000, 0.0006780600000000, 0.0009594000000000 ] - [ 0.0012892200000000, 0.0005847600000000, -0.0014889700000000 ] - [ -0.0011755000000000, 0.0017371900000000, 0.0047419700000000 ] - [ -0.0060572500000000, 0.0025990800000000, 0.0019805400000000 ] - [ -0.0002419900000000, -0.0003304300000000, 0.0013178500000000 ] - [ -0.0018625400000000, 0.0002572900000000, 0.0036501300000000 ] - [ -0.0007673200000000, -0.0008617100000000, 0.0021251500000000 ] - [ -0.0010843400000000, -0.0001646900000000, 0.0035548300000000 ] - [ 0.0716713200000000, -0.0483181300000000, 0.0422351100000000 ] - [ -0.0008264800000000, 0.0005260900000000, 0.0021565600000000 ] - [ 0.0053764700000000, 0.0017480700000000, -0.0030785700000000 ] - [ 0.0019586800000000, -0.0015319300000000, -0.0023183400000000 ] - [ -0.0001304100000000, 0.0004236300000000, -0.0009867800000000 ] - [ 0.0047117400000000, -0.0014936600000000, 0.0000299100000000 ] - [ -0.0026652300000000, -0.0010019300000000, 0.0001248900000000 ] - [ -0.0007136900000000, -0.0017041400000000, 0.0041666100000000 ] - [ -0.0024111500000000, -0.0005670800000000, 0.0013526500000000 ] - [ -0.0007234400000000, -0.0000086800000000, -0.0005242600000000 ] - [ -0.0032444400000000, -0.0004425300000000, 0.0028959500000000 ] - [ -0.0017877400000000, 0.0007869900000000, -0.0006951500000000 ] - [ -0.0017733500000000, 0.0008999100000000, 0.0011218000000000 ] - [ 0.0002897400000000, -0.0000939100000000, 0.0006507700000000 ] - [ -0.0018906300000000, 0.0008687700000000, 0.0028130100000000 ] - [ 0.0966247500000000, 0.0763347000000000, 0.0334561400000000 ] - [ 0.0004021700000000, -0.0002818100000000, -0.0006606500000000 ] - [ -0.0022346600000000, 0.0011292700000000, 0.0015099900000000 ] - [ -0.0025448700000000, -0.0002036000000000, 0.0004970800000000 ] - [ -0.0013721500000000, 0.0001809800000000, -0.0000064300000000 ] - [ -0.0004078100000000, -0.0003175400000000, -0.0007757000000000 ] - [ 0.0020761600000000, 0.0009450900000000, 0.0044833000000000 ] - [ 0.0014235600000000, -0.0001674700000000, -0.0006975300000000 ] - [ -0.0005457300000000, -0.0000830400000000, 0.0010213400000000 ] - [ -0.0004723600000000, 0.0003709100000000, -0.0005390600000000 ] - [ -0.0027215800000000, 0.0008520900000000, -0.0011758300000000 ] - [ 0.0005861300000000, -0.0002295100000000, -0.0008307100000000 ] - [ -0.0000426000000000, 0.0003729500000000, -0.0009428200000000 ] - [ -0.0008969600000000, -0.0008875400000000, -0.0015243900000000 ] - [ 0.0007890200000000, 0.0002431900000000, -0.0022548500000000 ] - [ -0.0013799600000000, 0.0000012700000000, 0.0000793300000000 ] - [ -0.0006510700000000, -0.0002788000000000, -0.0012991000000000 ] - [ -0.0010580900000000, -0.0003335600000000, 0.0004502000000000 ] - [ -0.0009243100000000, 0.0002166500000000, 0.0003440400000000 ] - [ 0.0008858200000000, -0.0014687400000000, 0.0033350200000000 ] - [ -0.0011411400000000, -0.0001338000000000, 0.0001709600000000 ] - [ -0.0033762500000000, -0.0010479300000000, -0.0031444800000000 ] - [ -0.0008157100000000, 0.0004567000000000, -0.0011633100000000 ] - [ -0.0017166200000000, 0.0014787700000000, -0.0032208100000000 ] - [ 0.0047224300000000, 0.0005994300000000, 0.0067438500000000 ] - [ -0.0027274400000000, -0.0007229900000000, -0.0017673900000000 ] - [ 0.0044775900000000, -0.0007062000000000, 0.0066371700000000 ] - [ -0.0000555100000000, -0.0022241400000000, -0.0039324800000000 ] - [ 0.0009933000000000, 0.0005031300000000, -0.0013004100000000 ] - [ -0.0008347100000000, 0.0004158500000000, -0.0014824400000000 ] - [ -0.0021997300000000, -0.0009085700000000, -0.0005554300000000 ] - [ 0.0005911100000000, 0.0003570900000000, 0.0013599200000000 ] - [ -0.0022856100000000, 0.0007707500000000, -0.0025066600000000 ] - [ -0.0078235100000000, 0.0002739000000000, -0.0020733600000000 ] - [ 0.0817957100000000, -0.0200752700000000, -0.0457216000000000 ] - [ 0.0031639500000000, 0.0034359700000000, 0.0068024200000000 ] - [ -0.0010527400000000, -0.0005032300000000, -0.0005964700000000 ]- atom: 25 displacement: [ -0.0099999987502926, 0.0000000000000000, 0.0000049994145799 ] forces: - [ 0.0013099700000000, 0.0016212100000000, 0.0044171800000000 ] - [ 0.0041595100000000, -0.0008901900000000, 0.0016794400000000 ] - [ -0.0040012300000000, 0.0003386100000000, 0.0039505900000000 ] - [ -0.0121786800000000, -0.0006246400000000, -0.0296114000000000 ] - [ -0.0041695600000000, -0.0001205300000000, -0.0003456300000000 ] - [ -0.0003231500000000, 0.0000717600000000, 0.0004903800000000 ] - [ -0.0012310100000000, -0.0003475700000000, 0.0058150100000000 ] - [ -0.0070524400000000, -0.0010380700000000, 0.0141566000000000 ] - [ -0.0001763700000000, 0.0001510400000000, -0.0018213600000000 ] - [ -0.0007178200000000, -0.0002082900000000, 0.0001788100000000 ] - [ -0.0011976500000000, 0.0005389500000000, -0.0039460400000000 ] - [ -0.0037104900000000, -0.0000854500000000, 0.0013998000000000 ] - [ -0.0235480300000000, 0.0070505100000000, 0.0029666500000000 ] - [ 0.0039068200000000, 0.0011043200000000, 0.0031452500000000 ] - [ -0.0003431000000000, 0.0000887600000000, -0.0028121700000000 ] - [ -0.0028304200000000, 0.0001868600000000, -0.0022862500000000 ] - [ -0.0003175600000000, -0.0001706400000000, 0.0001858100000000 ] - [ -0.0032338500000000, 0.0008237000000000, 0.0003766300000000 ] - [ -0.0009459400000000, 0.0008771500000000, -0.0031062000000000 ] - [ -0.0006696300000000, -0.0003347300000000, -0.0002979700000000 ] - [ -0.0011417600000000, -0.0004932000000000, 0.0026412200000000 ] - [ 0.0015876200000000, -0.0011878300000000, -0.0026229600000000 ] - [ -0.0020852700000000, 0.0003074500000000, 0.0044072200000000 ] - [ -0.0006629600000000, -0.0006813100000000, 0.0047689300000000 ] - [ 0.2768316200000000, -0.0054447900000000, 0.0452835600000000 ] - [ -0.0028714300000000, -0.0019255100000000, 0.0095617500000000 ] - [ -0.0018260500000000, -0.0000354900000000, -0.0005391600000000 ] - [ -0.0088976200000000, 0.0019329100000000, 0.0022439200000000 ] - [ 0.0132697000000000, -0.0002392700000000, -0.0051739300000000 ] - [ -0.0052482100000000, -0.0004158900000000, 0.0016585500000000 ] - [ 0.0039074000000000, -0.0020499100000000, -0.0016057000000000 ] - [ -0.0022521400000000, 0.0005846800000000, 0.0023140500000000 ] - [ -0.0009255000000000, -0.0004704000000000, -0.0032041600000000 ] - [ -0.0001130800000000, 0.0004187300000000, -0.0015439000000000 ] - [ -0.0037574000000000, 0.0003116300000000, 0.0002004100000000 ] - [ -0.0023273800000000, -0.0009275200000000, -0.0022236300000000 ] - [ 0.0215204600000000, 0.0079813500000000, 0.0137936600000000 ] - [ -0.0051402800000000, 0.0014140700000000, -0.0015536500000000 ] - [ -0.0019499100000000, 0.0001837200000000, -0.0004850100000000 ] - [ -0.0052609200000000, 0.0006666000000000, -0.0053676300000000 ] - [ 0.0014538300000000, 0.0000777300000000, -0.0027190700000000 ] - [ 0.0011973600000000, -0.0008906200000000, 0.0001265700000000 ] - [ -0.0001937300000000, 0.0011790400000000, 0.0029738600000000 ] - [ 0.0020868600000000, 0.0001021000000000, -0.0019127700000000 ] - [ -0.0024693000000000, -0.0003752000000000, -0.0044620200000000 ] - [ 0.0008644400000000, -0.0000173000000000, -0.0005087800000000 ] - [ 0.0007759200000000, 0.0001681800000000, 0.0003919500000000 ] - [ 0.0032896700000000, -0.0001288200000000, 0.0008627400000000 ] - [ 0.0011013700000000, -0.0001927900000000, -0.0001737500000000 ] - [ 0.0007234800000000, 0.0001941300000000, 0.0021269200000000 ] - [ 0.0006880700000000, -0.0004677800000000, -0.0004307400000000 ] - [ -0.0019650000000000, 0.0008608300000000, 0.0028636000000000 ] - [ 0.0001026600000000, -0.0000998100000000, -0.0010501000000000 ] - [ -0.0008523500000000, -0.0001856200000000, 0.0002746100000000 ] - [ 0.0011951200000000, -0.0012753200000000, -0.0037506800000000 ] - [ 0.0065588300000000, -0.0027284100000000, -0.0016706700000000 ] - [ 0.0001398000000000, 0.0003173000000000, -0.0018470900000000 ] - [ 0.0014148300000000, 0.0001435000000000, -0.0024278300000000 ] - [ 0.0011406500000000, -0.0000176800000000, -0.0021010600000000 ] - [ 0.0018844600000000, 0.0004094200000000, -0.0038316600000000 ] - [ -0.0719640100000000, 0.0495535400000000, -0.0437673200000000 ] - [ 0.0004445300000000, -0.0002913400000000, -0.0016036100000000 ] - [ -0.0052588800000000, -0.0015901100000000, 0.0030667600000000 ] - [ -0.0027466300000000, 0.0017619600000000, 0.0025555000000000 ] - [ 0.0010282300000000, -0.0004307500000000, 0.0010012600000000 ] - [ -0.0050993200000000, 0.0006359000000000, -0.0000684200000000 ] - [ 0.0026861000000000, 0.0012818700000000, 0.0000396900000000 ] - [ 0.0001971300000000, 0.0022854300000000, -0.0040719400000000 ] - [ 0.0020653100000000, 0.0004339100000000, -0.0006319200000000 ] - [ 0.0011207300000000, 0.0004609500000000, 0.0000983900000000 ] - [ 0.0026812900000000, -0.0000358400000000, -0.0031334400000000 ] - [ 0.0017450200000000, -0.0004972700000000, 0.0005304900000000 ] - [ 0.0008662100000000, -0.0009040500000000, -0.0011357100000000 ] - [ -0.0003050600000000, 0.0005627500000000, -0.0016374400000000 ] - [ 0.0017586100000000, -0.0006814300000000, -0.0028432700000000 ] - [ -0.0995334400000000, -0.0801419400000000, -0.0354525400000000 ] - [ -0.0000284400000000, 0.0005135200000000, 0.0001090400000000 ] - [ 0.0018228200000000, -0.0006705000000000, -0.0010772100000000 ] - [ 0.0018164800000000, 0.0000201700000000, -0.0003257700000000 ] - [ 0.0020777000000000, -0.0003609500000000, -0.0001595600000000 ] - [ 0.0007499200000000, 0.0001856400000000, 0.0000648600000000 ] - [ -0.0019603700000000, -0.0009565200000000, -0.0039412800000000 ] - [ -0.0008962400000000, 0.0007445500000000, 0.0006128500000000 ] - [ 0.0009807200000000, 0.0004824200000000, -0.0022151500000000 ] - [ 0.0004874700000000, 0.0001004200000000, 0.0015200500000000 ] - [ 0.0031964600000000, -0.0009893900000000, 0.0014928400000000 ] - [ -0.0006785000000000, 0.0002122300000000, 0.0003001300000000 ] - [ -0.0003986300000000, 0.0000275700000000, 0.0021422300000000 ] - [ 0.0012768100000000, 0.0000127100000000, 0.0015316000000000 ] - [ 0.0000204300000000, 0.0000043100000000, 0.0019568200000000 ] - [ 0.0019097600000000, -0.0004642000000000, 0.0001501100000000 ] - [ 0.0002616900000000, 0.0005145200000000, 0.0018328500000000 ] - [ 0.0011731300000000, 0.0005144000000000, -0.0004061500000000 ] - [ 0.0001165500000000, 0.0000310400000000, -0.0000541500000000 ] - [ 0.0000165300000000, 0.0014511600000000, -0.0032952800000000 ] - [ 0.0007524100000000, -0.0007385700000000, -0.0001842100000000 ] - [ 0.0033668900000000, 0.0013277900000000, 0.0033001100000000 ] - [ 0.0002950000000000, 0.0001223700000000, 0.0012460300000000 ] - [ 0.0013609600000000, -0.0016075700000000, 0.0039223800000000 ] - [ -0.0043048100000000, -0.0001653000000000, -0.0071049500000000 ] - [ 0.0021748100000000, 0.0002560600000000, 0.0015302800000000 ] - [ -0.0045366300000000, 0.0010357700000000, -0.0067731200000000 ] - [ -0.0008526300000000, 0.0022137700000000, 0.0039027300000000 ] - [ -0.0010024300000000, -0.0000311600000000, 0.0003165600000000 ] - [ 0.0007111800000000, -0.0002319200000000, 0.0014334400000000 ] - [ 0.0016971900000000, 0.0007616600000000, 0.0002299800000000 ] - [ -0.0002074300000000, -0.0001231400000000, -0.0018910000000000 ] - [ 0.0018702600000000, -0.0003157000000000, 0.0029257100000000 ] - [ 0.0071683500000000, -0.0004813400000000, 0.0022465700000000 ] - [ -0.0829989800000000, 0.0212252800000000, 0.0482284700000000 ] - [ -0.0027998600000000, -0.0035478000000000, -0.0074630600000000 ] - [ 0.0011523600000000, 0.0004874600000000, 0.0011260900000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002744700000000, 0.0008530300000000, 0.0004584300000000 ] - [ 0.0001963800000000, -0.0011635200000000, 0.0002605900000000 ] - [ -0.0009828700000000, 0.0002191300000000, -0.0003562900000000 ] - [ 0.0056812100000000, -0.0150401800000000, 0.0101334800000000 ] - [ 0.0002952600000000, -0.0002039900000000, -0.0001232900000000 ] - [ 0.0001103100000000, 0.0003969900000000, 0.0008488000000000 ] - [ -0.0005259700000000, -0.0000866500000000, 0.0010585700000000 ] - [ -0.0030258800000000, -0.0036846200000000, 0.0010689300000000 ] - [ 0.0004796000000000, 0.0004231800000000, 0.0007673000000000 ] - [ 0.0000113800000000, -0.0001320300000000, 0.0003609400000000 ] - [ 0.0004141900000000, 0.0002603100000000, 0.0002841100000000 ] - [ -0.0001332700000000, -0.0000119200000000, 0.0002766100000000 ] - [ -0.0064146100000000, 0.0383220300000000, -0.0039182100000000 ] - [ 0.0002741200000000, 0.0004280300000000, 0.0018951800000000 ] - [ 0.0009217600000000, -0.0000153300000000, 0.0010765400000000 ] - [ 0.0006056300000000, -0.0000028400000000, -0.0000709100000000 ] - [ 0.0002581200000000, -0.0002596100000000, -0.0000095100000000 ] - [ -0.0010049600000000, 0.0020815700000000, -0.0012345500000000 ] - [ 0.0008087500000000, -0.0005281200000000, 0.0006074500000000 ] - [ -0.0002025900000000, -0.0002711000000000, -0.0000768000000000 ] - [ -0.0001943700000000, -0.0006524600000000, 0.0005652400000000 ] - [ -0.0002320700000000, 0.0003008100000000, 0.0004966600000000 ] - [ -0.0003531300000000, -0.0000091500000000, 0.0001753800000000 ] - [ -0.0005135800000000, -0.0000859600000000, 0.0009908500000000 ] - [ 0.0096289300000000, -0.2470180500000000, -0.0097356500000000 ] - [ -0.0015970100000000, -0.0007861300000000, 0.0018556100000000 ] - [ 0.0005089600000000, -0.0002356800000000, 0.0000768700000000 ] - [ 0.0019089700000000, -0.0006770000000000, -0.0010746200000000 ] - [ 0.0016562100000000, 0.0065131700000000, -0.0086520700000000 ] - [ -0.0007822300000000, 0.0000937200000000, -0.0007440300000000 ] - [ 0.0009894700000000, -0.0007887000000000, 0.0012702400000000 ] - [ -0.0007398400000000, 0.0001589900000000, 0.0002722100000000 ] - [ 0.0008863400000000, 0.0002297100000000, 0.0007954400000000 ] - [ 0.0005116700000000, -0.0000601700000000, 0.0007309100000000 ] - [ -0.0002637500000000, 0.0005602900000000, 0.0000105100000000 ] - [ 0.0010088600000000, -0.0004086100000000, 0.0002554600000000 ] - [ -0.0014276700000000, 0.0104655900000000, 0.0094235800000000 ] - [ 0.0013999100000000, 0.0007800400000000, -0.0005371200000000 ] - [ -0.0001622100000000, 0.0000798200000000, -0.0002998600000000 ] - [ 0.0005885500000000, 0.0002119100000000, 0.0002292500000000 ] - [ -0.0002055700000000, -0.0000484900000000, 0.0003864600000000 ] - [ -0.0002530700000000, -0.0003490100000000, 0.0003147900000000 ] - [ 0.0012084000000000, 0.0018115400000000, -0.0002420600000000 ] - [ 0.0002217800000000, -0.0001396800000000, 0.0002616700000000 ] - [ 0.0021532400000000, 0.0010971400000000, -0.0028305800000000 ] - [ 0.0001568200000000, 0.0000923700000000, 0.0000850200000000 ] - [ -0.0004889500000000, -0.0000093200000000, -0.0001547000000000 ] - [ -0.0003582300000000, -0.0011151500000000, 0.0003580700000000 ] - [ 0.0000604500000000, -0.0004143700000000, -0.0001247600000000 ] - [ -0.0005444200000000, -0.0005205700000000, -0.0000883900000000 ] - [ -0.0003211400000000, -0.0001799800000000, -0.0001389900000000 ] - [ -0.0000159700000000, 0.0001948500000000, -0.0000450900000000 ] - [ 0.0002511000000000, 0.0003338900000000, -0.0000669800000000 ] - [ 0.0003195600000000, 0.0002561500000000, -0.0010446100000000 ] - [ 0.0005760100000000, -0.0005674700000000, -0.0004316400000000 ] - [ -0.0011459700000000, -0.0002484100000000, 0.0021059400000000 ] - [ 0.0001327600000000, 0.0000261800000000, -0.0004325800000000 ] - [ 0.0003408500000000, 0.0000523200000000, 0.0000448200000000 ] - [ 0.0009943900000000, 0.0001485000000000, -0.0001760700000000 ] - [ 0.0007860000000000, 0.0001683400000000, -0.0005924600000000 ] - [ -0.0548537600000000, 0.0858371500000000, -0.0618008000000000 ] - [ 0.0001006700000000, 0.0001073300000000, 0.0000634400000000 ] - [ 0.0002719400000000, 0.0011467100000000, 0.0035257900000000 ] - [ -0.0006514800000000, 0.0009623200000000, 0.0022543400000000 ] - [ 0.0003064500000000, 0.0000880700000000, -0.0001945800000000 ] - [ 0.0009030200000000, -0.0020935900000000, -0.0021130700000000 ] - [ 0.0002004900000000, 0.0001862500000000, 0.0002377500000000 ] - [ -0.0000076000000000, 0.0009987400000000, -0.0007830900000000 ] - [ 0.0007547000000000, -0.0000422800000000, 0.0008065500000000 ] - [ 0.0000962000000000, 0.0002102200000000, -0.0002972000000000 ] - [ 0.0004480100000000, -0.0008319200000000, 0.0012973600000000 ] - [ -0.0001886400000000, 0.0002202300000000, -0.0001275800000000 ] - [ -0.0002329400000000, -0.0001463200000000, -0.0002228000000000 ] - [ -0.0000227600000000, 0.0002777100000000, -0.0006146100000000 ] - [ 0.0006475100000000, -0.0003391500000000, -0.0002359800000000 ] - [ 0.0715430900000000, 0.0992886500000000, 0.0374249600000000 ] - [ 0.0001183900000000, 0.0000779200000000, -0.0004662600000000 ] - [ -0.0000451600000000, 0.0001906500000000, 0.0002697500000000 ] - [ -0.0005865000000000, -0.0002957700000000, 0.0004035900000000 ] - [ 0.0002007100000000, -0.0000827700000000, -0.0000730800000000 ] - [ 0.0001383400000000, -0.0001196800000000, -0.0004637500000000 ] - [ -0.0000416200000000, -0.0001862400000000, -0.0006324800000000 ] - [ -0.0000602900000000, 0.0002117900000000, -0.0005125400000000 ] - [ 0.0004694000000000, 0.0001864800000000, -0.0011832200000000 ] - [ -0.0002939600000000, 0.0002747800000000, 0.0001661600000000 ] - [ -0.0000513400000000, 0.0000219900000000, 0.0001556600000000 ] - [ -0.0006786200000000, 0.0001797100000000, -0.0007413300000000 ] - [ -0.0002827600000000, 0.0002649700000000, 0.0002477400000000 ] - [ -0.0001365100000000, -0.0005448200000000, -0.0002491900000000 ] - [ 0.0002183000000000, 0.0001339400000000, -0.0003344600000000 ] - [ 0.0001511500000000, -0.0001886500000000, 0.0000733800000000 ] - [ -0.0005012500000000, 0.0000771400000000, -0.0002275800000000 ] - [ 0.0000338200000000, 0.0000475800000000, -0.0001452700000000 ] - [ -0.0004786200000000, 0.0001055300000000, -0.0000952100000000 ] - [ 0.0005912200000000, 0.0004849300000000, -0.0005504300000000 ] - [ -0.0002583800000000, -0.0003869300000000, -0.0001696100000000 ] - [ -0.0026366100000000, -0.0018896600000000, -0.0010123500000000 ] - [ -0.0005583800000000, 0.0003494300000000, -0.0003078900000000 ] - [ -0.0008923200000000, 0.0003800400000000, -0.0004924500000000 ] - [ 0.0000938800000000, -0.0005458600000000, -0.0027125400000000 ] - [ -0.0005193300000000, -0.0002987400000000, -0.0000614000000000 ] - [ 0.0014209700000000, -0.0031799500000000, 0.0041120300000000 ] - [ -0.0006081000000000, -0.0010047600000000, -0.0003858200000000 ] - [ -0.0002911900000000, 0.0002178400000000, -0.0009334800000000 ] - [ -0.0003435000000000, 0.0001699600000000, -0.0002113200000000 ] - [ -0.0003684900000000, -0.0001207800000000, -0.0001771100000000 ] - [ 0.0003151300000000, 0.0002244000000000, -0.0007993300000000 ] - [ -0.0018163500000000, 0.0011017900000000, -0.0002176300000000 ] - [ 0.0002115100000000, 0.0008180200000000, -0.0001442600000000 ] - [ -0.0265351400000000, 0.0283660900000000, 0.0252444000000000 ] - [ 0.0004395800000000, -0.0015741400000000, -0.0030383300000000 ] - [ -0.0004639200000000, -0.0001816200000000, -0.0001549500000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002802500000000, 0.0000130000000000, -0.0004689800000000 ] - [ -0.0007300100000000, 0.0010238100000000, -0.0009584600000000 ] - [ 0.0007537200000000, 0.0003803400000000, -0.0008874900000000 ] - [ -0.0058753400000000, 0.0151217900000000, -0.0096095200000000 ] - [ -0.0002712900000000, -0.0002465600000000, 0.0001226100000000 ] - [ 0.0001295800000000, 0.0002039100000000, 0.0003809600000000 ] - [ 0.0010464000000000, -0.0000559000000000, -0.0003732200000000 ] - [ 0.0032834400000000, 0.0038012100000000, -0.0015694300000000 ] - [ -0.0004764800000000, 0.0004466700000000, -0.0007518000000000 ] - [ -0.0005315700000000, -0.0000114100000000, -0.0010630100000000 ] - [ -0.0006405500000000, 0.0003370100000000, -0.0014884100000000 ] - [ -0.0000856400000000, 0.0000793700000000, 0.0001411300000000 ] - [ 0.0061693300000000, -0.0387320500000000, 0.0038885100000000 ] - [ -0.0000588700000000, 0.0001708200000000, -0.0006723200000000 ] - [ -0.0003904400000000, -0.0001286500000000, -0.0003487000000000 ] - [ -0.0003491600000000, 0.0000697300000000, -0.0003418600000000 ] - [ 0.0002385800000000, -0.0001474300000000, 0.0001057800000000 ] - [ 0.0004985400000000, -0.0025418600000000, 0.0011294500000000 ] - [ -0.0003059100000000, 0.0001119000000000, -0.0004980600000000 ] - [ -0.0002867200000000, -0.0002033400000000, -0.0000183700000000 ] - [ 0.0000065900000000, -0.0005262200000000, 0.0001860300000000 ] - [ -0.0003920100000000, -0.0002517700000000, -0.0010495900000000 ] - [ 0.0010549300000000, 0.0002111900000000, 0.0008256000000000 ] - [ 0.0011322800000000, 0.0001375700000000, -0.0004319400000000 ] - [ -0.0029670000000000, 0.2499325600000000, 0.0146647000000000 ] - [ 0.0017729100000000, -0.0003914200000000, -0.0026263500000000 ] - [ 0.0001698700000000, -0.0002372100000000, -0.0001273000000000 ] - [ -0.0008047800000000, 0.0018320800000000, 0.0010303200000000 ] - [ -0.0024122300000000, -0.0063094500000000, 0.0076477600000000 ] - [ 0.0001336700000000, -0.0005621600000000, 0.0007799400000000 ] - [ -0.0011941400000000, -0.0003859100000000, -0.0004944200000000 ] - [ 0.0001194000000000, -0.0001120600000000, -0.0008512800000000 ] - [ -0.0001781800000000, -0.0000212900000000, 0.0002441800000000 ] - [ 0.0001201000000000, 0.0001064800000000, -0.0001464400000000 ] - [ -0.0007909900000000, 0.0005881100000000, 0.0000258500000000 ] - [ -0.0007982200000000, -0.0007661500000000, -0.0009981500000000 ] - [ 0.0020138000000000, -0.0110225400000000, -0.0094762300000000 ] - [ -0.0002852900000000, 0.0003642100000000, 0.0005003400000000 ] - [ -0.0005266900000000, 0.0001236800000000, -0.0007159700000000 ] - [ -0.0012248700000000, -0.0006787900000000, -0.0001463700000000 ] - [ -0.0001026800000000, 0.0001959100000000, -0.0005321200000000 ] - [ -0.0000083500000000, -0.0004385000000000, -0.0000038400000000 ] - [ -0.0008315700000000, -0.0023742600000000, -0.0000999700000000 ] - [ 0.0001697200000000, -0.0003022300000000, 0.0000570100000000 ] - [ -0.0025881000000000, -0.0015428000000000, 0.0026147000000000 ] - [ 0.0001533600000000, 0.0000667200000000, 0.0000627900000000 ] - [ 0.0001736200000000, 0.0001622200000000, -0.0000006700000000 ] - [ 0.0000972800000000, 0.0003412700000000, -0.0000372500000000 ] - [ 0.0001907200000000, -0.0003849600000000, -0.0001758700000000 ] - [ 0.0009319500000000, 0.0000781200000000, 0.0003866100000000 ] - [ -0.0000875200000000, -0.0002534200000000, -0.0001739000000000 ] - [ 0.0003370600000000, -0.0000359100000000, 0.0001803500000000 ] - [ 0.0002685200000000, 0.0002452200000000, -0.0000189500000000 ] - [ 0.0001186000000000, 0.0001441900000000, -0.0001655500000000 ] - [ -0.0005578400000000, 0.0010368700000000, 0.0014264000000000 ] - [ 0.0016315300000000, 0.0001036600000000, -0.0017753600000000 ] - [ -0.0002345100000000, -0.0000398900000000, -0.0000961500000000 ] - [ -0.0007783700000000, 0.0003456400000000, 0.0011683100000000 ] - [ -0.0006127600000000, -0.0010289300000000, 0.0002014100000000 ] - [ 0.0000163500000000, 0.0000770900000000, 0.0003144100000000 ] - [ 0.0528812200000000, -0.0840005200000000, 0.0588999700000000 ] - [ -0.0004766000000000, 0.0001267800000000, 0.0004869500000000 ] - [ -0.0001281800000000, -0.0009649500000000, -0.0035159800000000 ] - [ -0.0001430800000000, -0.0007237700000000, -0.0019782600000000 ] - [ 0.0005892500000000, -0.0000965800000000, 0.0002106500000000 ] - [ -0.0012745800000000, 0.0012176300000000, 0.0020933700000000 ] - [ -0.0001802600000000, 0.0000922000000000, -0.0000758700000000 ] - [ -0.0005105500000000, -0.0004227400000000, 0.0008823800000000 ] - [ -0.0011012400000000, -0.0000937400000000, -0.0000901700000000 ] - [ 0.0002997900000000, 0.0002432800000000, -0.0001276100000000 ] - [ -0.0010214900000000, 0.0003621600000000, -0.0015110000000000 ] - [ 0.0001473300000000, 0.0000677800000000, -0.0000349700000000 ] - [ -0.0006717300000000, 0.0001381300000000, 0.0002037300000000 ] - [ 0.0000071600000000, 0.0001925000000000, -0.0003692100000000 ] - [ -0.0007715900000000, 0.0005266300000000, 0.0002067900000000 ] - [ -0.0765752400000000, -0.1037759700000000, -0.0401054900000000 ] - [ 0.0002552700000000, 0.0001521900000000, -0.0000828800000000 ] - [ -0.0003638800000000, 0.0002692200000000, 0.0001599900000000 ] - [ -0.0001458900000000, 0.0001109600000000, -0.0002286700000000 ] - [ 0.0005074600000000, -0.0000969400000000, -0.0000938500000000 ] - [ 0.0002030700000000, -0.0000145400000000, -0.0002465400000000 ] - [ 0.0001555300000000, 0.0001767900000000, 0.0011744600000000 ] - [ 0.0005836600000000, 0.0003625200000000, 0.0004175300000000 ] - [ -0.0000342800000000, 0.0002118900000000, -0.0000178500000000 ] - [ 0.0003056300000000, 0.0001980600000000, 0.0008115200000000 ] - [ 0.0005223100000000, -0.0001555500000000, 0.0001616900000000 ] - [ 0.0005749500000000, -0.0001921500000000, 0.0002006600000000 ] - [ -0.0001548000000000, 0.0001359100000000, 0.0009466300000000 ] - [ 0.0005106700000000, -0.0003347500000000, 0.0002544300000000 ] - [ 0.0005886800000000, 0.0001140600000000, 0.0000314400000000 ] - [ 0.0003820500000000, -0.0002742600000000, 0.0001543500000000 ] - [ 0.0001172800000000, 0.0001548800000000, 0.0007593800000000 ] - [ 0.0000818600000000, 0.0001347600000000, 0.0001870900000000 ] - [ -0.0003303000000000, 0.0001424100000000, 0.0003844800000000 ] - [ 0.0003187200000000, -0.0005019200000000, 0.0005867500000000 ] - [ -0.0001296500000000, -0.0004879600000000, 0.0001540100000000 ] - [ 0.0026238200000000, 0.0021608500000000, 0.0011562100000000 ] - [ 0.0000338100000000, 0.0002293600000000, 0.0003875600000000 ] - [ 0.0005331500000000, -0.0005034100000000, 0.0011766800000000 ] - [ 0.0003420800000000, 0.0010174100000000, 0.0023214400000000 ] - [ -0.0000386000000000, -0.0001698800000000, -0.0001730400000000 ] - [ -0.0014247600000000, 0.0034901600000000, -0.0042910800000000 ] - [ -0.0002934500000000, 0.0009894800000000, 0.0003513300000000 ] - [ 0.0002784300000000, 0.0002564900000000, -0.0000591900000000 ] - [ 0.0002158600000000, 0.0000170600000000, 0.0001615000000000 ] - [ -0.0001320000000000, -0.0000241700000000, -0.0001487400000000 ] - [ 0.0000670100000000, 0.0000097600000000, 0.0002613300000000 ] - [ 0.0014066100000000, -0.0006513400000000, 0.0006251800000000 ] - [ -0.0009472400000000, -0.0009983900000000, 0.0003091800000000 ] - [ 0.0267694800000000, -0.0285524000000000, -0.0248918000000000 ] - [ -0.0000840200000000, 0.0014508200000000, 0.0023508800000000 ] - [ 0.0005577800000000, 0.0001645500000000, 0.0006807700000000 ]- atom: 25 displacement: [ -0.0057565208649526, 0.0000000000000000, 0.0081769473235044 ] forces: - [ -0.0017226300000000, 0.0009344600000000, 0.0068838000000000 ] - [ 0.0028670800000000, 0.0000094500000000, 0.0067211000000000 ] - [ -0.0060251400000000, 0.0002211000000000, 0.0041287900000000 ] - [ 0.0146314000000000, 0.0038742200000000, -0.0034085400000000 ] - [ -0.0022760400000000, -0.0000716100000000, -0.0002361000000000 ] - [ -0.0000857200000000, 0.0003824600000000, 0.0025765500000000 ] - [ -0.0042140700000000, -0.0003340100000000, 0.0063635800000000 ] - [ -0.0185732200000000, -0.0035956300000000, 0.0187609000000000 ] - [ 0.0018298400000000, 0.0001144400000000, 0.0010428100000000 ] - [ 0.0002562300000000, -0.0003547500000000, 0.0025501900000000 ] - [ 0.0021621400000000, 0.0000843300000000, -0.0018860700000000 ] - [ -0.0029582500000000, -0.0001454900000000, 0.0016595500000000 ] - [ -0.0151940300000000, 0.0114826100000000, -0.0209527300000000 ] - [ 0.0033918800000000, 0.0013071700000000, 0.0077694300000000 ] - [ 0.0031204700000000, 0.0003467800000000, 0.0001157900000000 ] - [ -0.0004819700000000, -0.0000424700000000, -0.0007682800000000 ] - [ -0.0002612300000000, -0.0003328200000000, 0.0001919200000000 ] - [ -0.0041965100000000, 0.0035658300000000, -0.0026327000000000 ] - [ -0.0003687100000000, 0.0010094300000000, -0.0029069200000000 ] - [ -0.0004485400000000, -0.0004437800000000, -0.0002842800000000 ] - [ -0.0021335700000000, -0.0002746500000000, 0.0033930700000000 ] - [ 0.0042074400000000, -0.0001037700000000, 0.0012114200000000 ] - [ -0.0046260700000000, -0.0000660500000000, 0.0035580700000000 ] - [ -0.0032614200000000, -0.0009557000000000, 0.0068780500000000 ] - [ 0.1233751800000000, -0.0149501600000000, -0.1829645900000000 ] - [ -0.0074630400000000, -0.0019949300000000, 0.0094867800000000 ] - [ -0.0006431900000000, 0.0000619400000000, 0.0007596800000000 ] - [ -0.0067175000000000, 0.0022207600000000, -0.0033557000000000 ] - [ 0.0075910900000000, -0.0023799100000000, 0.0089648200000000 ] - [ -0.0053154600000000, 0.0000753900000000, -0.0004706500000000 ] - [ 0.0073765700000000, -0.0021924600000000, 0.0022878900000000 ] - [ -0.0031885400000000, 0.0009037600000000, 0.0035604000000000 ] - [ 0.0016274000000000, -0.0000342200000000, -0.0016659300000000 ] - [ 0.0017357700000000, -0.0000448200000000, 0.0010322400000000 ] - [ -0.0025321800000000, 0.0004160800000000, 0.0006184200000000 ] - [ 0.0008368900000000, -0.0003809100000000, -0.0003928500000000 ] - [ 0.0218202000000000, 0.0175965300000000, 0.0284776200000000 ] - [ -0.0014817900000000, 0.0014783000000000, -0.0022340100000000 ] - [ -0.0010822300000000, 0.0000742600000000, 0.0003103500000000 ] - [ -0.0010808700000000, -0.0000468000000000, -0.0039920800000000 ] - [ 0.0030005100000000, -0.0005277200000000, -0.0021496700000000 ] - [ 0.0008330400000000, -0.0007986700000000, 0.0004546100000000 ] - [ -0.0017682500000000, -0.0019344100000000, 0.0055115400000000 ] - [ 0.0017843300000000, 0.0000937300000000, -0.0007891700000000 ] - [ -0.0041716400000000, 0.0008586100000000, 0.0130224600000000 ] - [ 0.0008222800000000, -0.0000374900000000, -0.0008118900000000 ] - [ -0.0001850300000000, 0.0001194500000000, 0.0002529300000000 ] - [ 0.0016479400000000, -0.0006234900000000, 0.0017673700000000 ] - [ 0.0008026000000000, -0.0002591200000000, -0.0002248000000000 ] - [ -0.0003703500000000, -0.0002065800000000, 0.0021740600000000 ] - [ 0.0002188200000000, -0.0003115000000000, -0.0004569200000000 ] - [ -0.0032018200000000, 0.0001877600000000, 0.0011053800000000 ] - [ 0.0006337600000000, -0.0003926200000000, -0.0023998300000000 ] - [ -0.0009758300000000, -0.0004282300000000, -0.0016961400000000 ] - [ 0.0028130700000000, -0.0020101200000000, -0.0041512400000000 ] - [ 0.0062282100000000, -0.0005747800000000, 0.0019584400000000 ] - [ 0.0015970800000000, 0.0006276500000000, -0.0018696800000000 ] - [ 0.0029625000000000, -0.0003672700000000, -0.0035811700000000 ] - [ 0.0032427200000000, 0.0008287600000000, -0.0021266200000000 ] - [ 0.0033707300000000, 0.0002654000000000, -0.0050024700000000 ] - [ 0.0035247400000000, -0.0235326100000000, 0.0499868500000000 ] - [ 0.0014112100000000, -0.0002309200000000, -0.0018206300000000 ] - [ -0.0045965600000000, -0.0009534000000000, -0.0015611900000000 ] - [ -0.0001222700000000, 0.0005791200000000, -0.0038066400000000 ] - [ 0.0001221500000000, 0.0001803300000000, -0.0003038300000000 ] - [ -0.0053512900000000, 0.0005230400000000, -0.0033203300000000 ] - [ 0.0025413300000000, 0.0011852800000000, 0.0002726300000000 ] - [ 0.0016794200000000, 0.0025501100000000, -0.0043184600000000 ] - [ 0.0034296000000000, 0.0001663800000000, 0.0004057100000000 ] - [ 0.0005120200000000, 0.0004753700000000, -0.0006622800000000 ] - [ 0.0055972100000000, -0.0007841900000000, 0.0009939800000000 ] - [ 0.0006338700000000, -0.0000893200000000, -0.0000430100000000 ] - [ 0.0012139500000000, -0.0012245100000000, -0.0015955700000000 ] - [ 0.0002963700000000, 0.0005764700000000, -0.0026692700000000 ] - [ 0.0040586700000000, -0.0017099400000000, -0.0032148100000000 ] - [ -0.0281996800000000, -0.0142615400000000, 0.0169673900000000 ] - [ -0.0012777100000000, 0.0002646900000000, -0.0018108300000000 ] - [ 0.0019208200000000, -0.0004117300000000, -0.0006830300000000 ] - [ 0.0007063900000000, -0.0005262500000000, 0.0004701300000000 ] - [ 0.0013111500000000, -0.0004201600000000, -0.0005542500000000 ] - [ 0.0004400700000000, -0.0003303100000000, -0.0009930700000000 ] - [ 0.0006851000000000, -0.0006678100000000, -0.0034134000000000 ] - [ -0.0016603800000000, 0.0003446200000000, -0.0012860900000000 ] - [ 0.0016460400000000, 0.0003497200000000, -0.0038164200000000 ] - [ -0.0008826200000000, 0.0004441600000000, 0.0005348500000000 ] - [ 0.0014949500000000, -0.0004528000000000, 0.0009283600000000 ] - [ -0.0033583400000000, 0.0008428200000000, -0.0015781100000000 ] - [ -0.0012681500000000, 0.0003574700000000, 0.0008864200000000 ] - [ -0.0002169800000000, -0.0004920200000000, 0.0003152800000000 ] - [ -0.0009731400000000, 0.0001348400000000, 0.0012014700000000 ] - [ 0.0012169700000000, -0.0002616800000000, -0.0001889300000000 ] - [ -0.0022089800000000, 0.0006991100000000, -0.0004782600000000 ] - [ 0.0008800700000000, 0.0002799700000000, -0.0009329000000000 ] - [ -0.0002391300000000, -0.0000295900000000, -0.0008415200000000 ] - [ 0.0011808900000000, 0.0023955300000000, -0.0046351600000000 ] - [ 0.0003403900000000, -0.0005112700000000, -0.0007267300000000 ] - [ 0.0000741300000000, -0.0008842000000000, 0.0044568600000000 ] - [ -0.0009842200000000, 0.0002434800000000, 0.0001694500000000 ] - [ -0.0006760300000000, -0.0007806600000000, 0.0020048200000000 ] - [ -0.0030446800000000, 0.0002196200000000, -0.0101381600000000 ] - [ 0.0007583300000000, 0.0000302200000000, 0.0010807700000000 ] - [ 0.0003941300000000, -0.0001712100000000, -0.0051825200000000 ] - [ -0.0030715300000000, 0.0003355000000000, -0.0002789400000000 ] - [ -0.0017507400000000, -0.0001612600000000, -0.0015083600000000 ] - [ -0.0005423300000000, 0.0001871600000000, 0.0004732700000000 ] - [ 0.0009161600000000, 0.0004526700000000, -0.0000552900000000 ] - [ 0.0002113300000000, 0.0002798900000000, -0.0031981500000000 ] - [ -0.0014363900000000, 0.0010637900000000, 0.0018882600000000 ] - [ 0.0004942900000000, -0.0004845900000000, 0.0056708400000000 ] - [ -0.0936995700000000, 0.0280324400000000, 0.0878190600000000 ] - [ -0.0031393600000000, -0.0056373100000000, -0.0127084100000000 ] - [ -0.0007740100000000, -0.0001082300000000, -0.0003408100000000 ]- atom: 25 displacement: [ 0.0057565208649526, 0.0000000000000000, -0.0081769473235044 ] forces: - [ 0.0017174100000000, -0.0000724600000000, -0.0069189500000000 ] - [ -0.0034257700000000, -0.0001500700000000, -0.0074599600000000 ] - [ 0.0058213600000000, 0.0003778100000000, -0.0053836800000000 ] - [ -0.0148304900000000, -0.0038144200000000, 0.0040690500000000 ] - [ 0.0022954100000000, -0.0003772600000000, 0.0002425500000000 ] - [ 0.0003170000000000, 0.0002182300000000, -0.0013547500000000 ] - [ 0.0047437800000000, 0.0001907700000000, -0.0056898600000000 ] - [ 0.0187464700000000, 0.0037026000000000, -0.0191428400000000 ] - [ -0.0018274700000000, 0.0007530600000000, -0.0010377700000000 ] - [ -0.0007666900000000, 0.0002112100000000, -0.0032572700000000 ] - [ -0.0023921600000000, 0.0005146700000000, 0.0006857100000000 ] - [ 0.0027476600000000, 0.0002147900000000, -0.0012374200000000 ] - [ 0.0153016300000000, -0.0118511000000000, 0.0208175600000000 ] - [ -0.0031558400000000, -0.0007010500000000, -0.0065525500000000 ] - [ -0.0025995900000000, -0.0004909900000000, 0.0006012200000000 ] - [ 0.0007246000000000, 0.0001099300000000, 0.0003549900000000 ] - [ 0.0007590200000000, -0.0000725400000000, -0.0001021800000000 ] - [ 0.0037216400000000, -0.0040936100000000, 0.0025810100000000 ] - [ 0.0008453300000000, -0.0014078800000000, 0.0030077400000000 ] - [ -0.0000398300000000, -0.0000331400000000, 0.0001914200000000 ] - [ 0.0019430200000000, -0.0009031500000000, -0.0026571500000000 ] - [ -0.0048574800000000, 0.0001597300000000, -0.0017666400000000 ] - [ 0.0053286500000000, 0.0002703600000000, -0.0025723000000000 ] - [ 0.0038922900000000, 0.0010012600000000, -0.0063296900000000 ] - [ -0.1198287200000000, 0.0123519900000000, 0.1776207600000000 ] - [ 0.0076696500000000, 0.0008265400000000, -0.0102818800000000 ] - [ 0.0013164500000000, -0.0005368100000000, -0.0008173500000000 ] - [ 0.0078005500000000, -0.0010629600000000, 0.0032904900000000 ] - [ -0.0084047300000000, 0.0026126300000000, -0.0099739700000000 ] - [ 0.0046886800000000, -0.0005491600000000, 0.0005330000000000 ] - [ -0.0075743500000000, 0.0010152400000000, -0.0015369900000000 ] - [ 0.0025811700000000, -0.0008605900000000, -0.0041410700000000 ] - [ -0.0009336200000000, 0.0002393400000000, 0.0026961500000000 ] - [ -0.0011191200000000, 0.0000896600000000, -0.0004550800000000 ] - [ 0.0014798500000000, 0.0007317500000000, -0.0005820800000000 ] - [ -0.0006253900000000, -0.0007928700000000, -0.0003521500000000 ] - [ -0.0211361700000000, -0.0180333200000000, -0.0285807100000000 ] - [ 0.0025644500000000, -0.0003405800000000, 0.0022151800000000 ] - [ 0.0003984900000000, 0.0001283000000000, -0.0013266600000000 ] - [ 0.0004569900000000, -0.0004173500000000, 0.0040780700000000 ] - [ -0.0033308800000000, 0.0006847900000000, 0.0020147500000000 ] - [ -0.0010859100000000, 0.0000176800000000, -0.0001383600000000 ] - [ 0.0020535700000000, 0.0011576600000000, -0.0058397200000000 ] - [ -0.0013950200000000, -0.0005340000000000, 0.0011165100000000 ] - [ 0.0042900300000000, -0.0014610600000000, -0.0142538400000000 ] - [ -0.0005176700000000, 0.0001897900000000, 0.0009659200000000 ] - [ -0.0001268100000000, 0.0000271500000000, -0.0004162600000000 ] - [ -0.0019058900000000, -0.0001602300000000, -0.0014723800000000 ] - [ -0.0005591700000000, -0.0005423100000000, -0.0000708500000000 ] - [ 0.0007748500000000, -0.0002313100000000, -0.0018685900000000 ] - [ -0.0006341900000000, -0.0001179400000000, 0.0001394500000000 ] - [ 0.0035196700000000, -0.0000313800000000, -0.0009509700000000 ] - [ -0.0001131500000000, 0.0009759900000000, 0.0023255700000000 ] - [ 0.0014282100000000, 0.0008327200000000, 0.0004860700000000 ] - [ -0.0028008400000000, 0.0024787800000000, 0.0051516800000000 ] - [ -0.0057324900000000, 0.0004556500000000, -0.0016130200000000 ] - [ -0.0016956700000000, -0.0006459600000000, 0.0013511200000000 ] - [ -0.0034145500000000, 0.0007677700000000, 0.0048059800000000 ] - [ -0.0028592900000000, -0.0017026200000000, 0.0021551600000000 ] - [ -0.0025737400000000, -0.0000209100000000, 0.0047424400000000 ] - [ -0.0031576300000000, 0.0230967100000000, -0.0494941200000000 ] - [ -0.0017999000000000, 0.0004686400000000, 0.0023712600000000 ] - [ 0.0047704100000000, 0.0011424500000000, 0.0015790000000000 ] - [ -0.0006681900000000, -0.0003431100000000, 0.0040850600000000 ] - [ 0.0007818000000000, -0.0001879600000000, 0.0003221400000000 ] - [ 0.0050164500000000, -0.0013981600000000, 0.0033132800000000 ] - [ -0.0025288200000000, -0.0009067200000000, -0.0001153500000000 ] - [ -0.0022041200000000, -0.0019753500000000, 0.0044248100000000 ] - [ -0.0037922200000000, -0.0002923300000000, 0.0002997500000000 ] - [ -0.0001119000000000, -0.0000234300000000, 0.0002395900000000 ] - [ -0.0061550400000000, 0.0003040700000000, -0.0011995700000000 ] - [ -0.0006716200000000, 0.0003776600000000, -0.0001200000000000 ] - [ -0.0021280800000000, 0.0012209500000000, 0.0015785100000000 ] - [ -0.0003107300000000, -0.0001090100000000, 0.0016970400000000 ] - [ -0.0041784800000000, 0.0018877800000000, 0.0031890900000000 ] - [ 0.0280779400000000, 0.0145499700000000, -0.0172792600000000 ] - [ 0.0016683200000000, -0.0000335900000000, 0.0012710800000000 ] - [ -0.0023375600000000, 0.0008681200000000, 0.0011070000000000 ] - [ -0.0014276000000000, 0.0003498000000000, -0.0003124000000000 ] - [ -0.0006046700000000, 0.0002418000000000, 0.0003898000000000 ] - [ -0.0000947500000000, 0.0002020300000000, 0.0002885400000000 ] - [ -0.0005740700000000, 0.0006562400000000, 0.0039656700000000 ] - [ 0.0021780800000000, 0.0002346900000000, 0.0012032700000000 ] - [ -0.0012143000000000, 0.0000484500000000, 0.0026180600000000 ] - [ 0.0008968400000000, 0.0000254500000000, 0.0004416300000000 ] - [ -0.0010104600000000, 0.0003129300000000, -0.0006109200000000 ] - [ 0.0032612200000000, -0.0008587100000000, 0.0010471400000000 ] - [ 0.0008331100000000, 0.0000424800000000, 0.0003097000000000 ] - [ 0.0006022600000000, -0.0003813300000000, -0.0003028900000000 ] - [ 0.0017819900000000, 0.0001124400000000, -0.0014942500000000 ] - [ -0.0006893300000000, -0.0002014000000000, 0.0004156500000000 ] - [ 0.0018286600000000, -0.0004699100000000, 0.0010124400000000 ] - [ -0.0007702000000000, -0.0001011000000000, 0.0009746600000000 ] - [ -0.0005723800000000, 0.0002764700000000, 0.0011303100000000 ] - [ -0.0002778000000000, -0.0024086300000000, 0.0046672600000000 ] - [ -0.0007344100000000, -0.0003592000000000, 0.0007095800000000 ] - [ -0.0001037700000000, 0.0011482800000000, -0.0043174000000000 ] - [ 0.0004618200000000, 0.0003369100000000, -0.0000900300000000 ] - [ 0.0003167500000000, 0.0006627900000000, -0.0013253700000000 ] - [ 0.0034532000000000, 0.0001991900000000, 0.0097634800000000 ] - [ -0.0013029900000000, -0.0004956800000000, -0.0013182800000000 ] - [ -0.0004367500000000, 0.0005593000000000, 0.0050532600000000 ] - [ 0.0021776300000000, -0.0003633200000000, 0.0002230000000000 ] - [ 0.0017310600000000, 0.0006304400000000, 0.0005290300000000 ] - [ 0.0004241600000000, -0.0000045400000000, -0.0005184300000000 ] - [ -0.0014211800000000, -0.0005994300000000, -0.0002733100000000 ] - [ 0.0001680900000000, -0.0000462300000000, 0.0026607800000000 ] - [ 0.0010145900000000, -0.0006065700000000, -0.0014859000000000 ] - [ -0.0012445800000000, 0.0002923000000000, -0.0054911700000000 ] - [ 0.0890611800000000, -0.0249806000000000, -0.0821145200000000 ] - [ 0.0034882800000000, 0.0055084300000000, 0.0120116600000000 ] - [ 0.0008644900000000, 0.0000907300000000, 0.0008660600000000 ]- atom: 27 displacement: [ 0.0099999987502926, 0.0000000000000000, -0.0000049994145799 ] forces: - [ 0.0018874900000000, -0.0000925300000000, 0.0055436400000000 ] - [ -0.0028431700000000, 0.0000212200000000, 0.0029572000000000 ] - [ 0.0016710100000000, -0.0000033500000000, 0.0022067100000000 ] - [ 0.0006104600000000, -0.0002189300000000, -0.0005409400000000 ] - [ 0.0126219700000000, 0.0017284700000000, 0.0220372200000000 ] - [ -0.0165432900000000, 0.0086076300000000, 0.0034649600000000 ] - [ 0.0045552400000000, 0.0002411200000000, 0.0037230500000000 ] - [ 0.0037883700000000, -0.0002530500000000, 0.0001726000000000 ] - [ 0.0006832300000000, 0.0000420900000000, -0.0018256200000000 ] - [ 0.0003813100000000, -0.0000331300000000, 0.0002585700000000 ] - [ -0.0005561700000000, 0.0006259200000000, -0.0034054300000000 ] - [ 0.0000327300000000, -0.0001679700000000, 0.0051966900000000 ] - [ 0.0026636700000000, -0.0000618400000000, -0.0005353400000000 ] - [ 0.0021733300000000, 0.0006087100000000, 0.0008846200000000 ] - [ 0.0007092600000000, 0.0002738800000000, -0.0041749400000000 ] - [ 0.0199740400000000, -0.0024492900000000, -0.0098466400000000 ] - [ 0.0017373500000000, 0.0003998500000000, -0.0019480700000000 ] - [ 0.0000864300000000, -0.0000806600000000, 0.0005028000000000 ] - [ 0.0008029800000000, -0.0001416900000000, 0.0002240500000000 ] - [ -0.0005313300000000, 0.0005038300000000, -0.0019905700000000 ] - [ 0.0124797300000000, 0.0002659000000000, 0.0170692700000000 ] - [ -0.0026441300000000, 0.0000330500000000, -0.0018549300000000 ] - [ 0.0045665500000000, 0.0004546700000000, 0.0014527700000000 ] - [ 0.0027639900000000, -0.0001339000000000, 0.0018003500000000 ] - [ 0.0016319900000000, 0.0007431900000000, 0.0003390800000000 ] - [ 0.0024176600000000, -0.0002251000000000, 0.0028658300000000 ] - [ -0.2786894300000000, 0.0004060400000000, -0.0034884600000000 ] - [ 0.0054848600000000, 0.0010311300000000, -0.0026712100000000 ] - [ -0.0002779600000000, 0.0001808800000000, 0.0008616300000000 ] - [ 0.0033549800000000, -0.0005041200000000, 0.0047217100000000 ] - [ 0.0024861300000000, -0.0008781500000000, -0.0000966100000000 ] - [ 0.0008070800000000, 0.0003340700000000, 0.0016875300000000 ] - [ 0.0054306700000000, -0.0000815100000000, -0.0013167400000000 ] - [ -0.0067180800000000, -0.0011024300000000, -0.0086773300000000 ] - [ -0.0217637000000000, -0.0011441700000000, 0.0113710800000000 ] - [ -0.0011722200000000, -0.0005640700000000, -0.0022562500000000 ] - [ 0.0028009400000000, -0.0001523000000000, 0.0008222700000000 ] - [ 0.0054673400000000, -0.0003400800000000, 0.0025136900000000 ] - [ -0.0022913300000000, 0.0000255300000000, 0.0003192600000000 ] - [ -0.0003119600000000, 0.0004660200000000, -0.0030128900000000 ] - [ -0.0008122000000000, 0.0000832800000000, -0.0009775600000000 ] - [ -0.0007725200000000, 0.0002223400000000, 0.0014246700000000 ] - [ -0.0007109900000000, -0.0005047700000000, -0.0003502400000000 ] - [ -0.0019646800000000, -0.0007630900000000, 0.0015910500000000 ] - [ -0.0006612900000000, -0.0000151100000000, -0.0004989400000000 ] - [ 0.0009321000000000, -0.0017143900000000, -0.0012546600000000 ] - [ -0.0001148700000000, 0.0000297500000000, 0.0014346100000000 ] - [ -0.0012456800000000, -0.0000070300000000, -0.0002571300000000 ] - [ 0.0025887300000000, 0.0010161700000000, 0.0002835000000000 ] - [ -0.0012799500000000, -0.0005907000000000, 0.0008280000000000 ] - [ 0.0022760300000000, -0.0010557700000000, -0.0018031600000000 ] - [ -0.0007560100000000, 0.0001319100000000, 0.0003077600000000 ] - [ 0.0023285300000000, -0.0024030500000000, -0.0049111000000000 ] - [ 0.0027216800000000, 0.0002989300000000, -0.0014406900000000 ] - [ -0.0011095800000000, 0.0002931400000000, -0.0014082500000000 ] - [ -0.0018539300000000, 0.0007888500000000, 0.0000299200000000 ] - [ -0.0045405400000000, 0.0015568400000000, -0.0042649600000000 ] - [ -0.0011841600000000, 0.0007226200000000, -0.0004210600000000 ] - [ -0.0018609800000000, -0.0011649600000000, -0.0011238600000000 ] - [ -0.0012228900000000, 0.0001912700000000, -0.0009671100000000 ] - [ -0.0007121300000000, 0.0001097100000000, -0.0001898200000000 ] - [ -0.0018653100000000, 0.0000164000000000, -0.0015110100000000 ] - [ 0.0002653800000000, -0.0001921400000000, -0.0004813500000000 ] - [ 0.0001832300000000, 0.0001605200000000, -0.0019248500000000 ] - [ 0.0044949700000000, -0.0011711600000000, 0.0064591700000000 ] - [ -0.0000216400000000, -0.0002540800000000, -0.0002537200000000 ] - [ -0.0026893000000000, 0.0002655700000000, -0.0035277900000000 ] - [ -0.0013040300000000, 0.0007536500000000, -0.0018755800000000 ] - [ -0.0018077600000000, 0.0009722900000000, -0.0025918100000000 ] - [ 0.0747724300000000, 0.0515265200000000, -0.0473336200000000 ] - [ -0.0021339600000000, -0.0004858700000000, 0.0002497500000000 ] - [ 0.1377187700000000, -0.0731161100000000, 0.0182459800000000 ] - [ -0.0010229500000000, -0.0007321000000000, -0.0016385600000000 ] - [ 0.0002469000000000, 0.0018187900000000, -0.0052479500000000 ] - [ -0.0019877400000000, 0.0008359200000000, -0.0006823000000000 ] - [ -0.0013814200000000, -0.0005790600000000, -0.0003499100000000 ] - [ 0.0055007600000000, 0.0006967700000000, -0.0008941800000000 ] - [ -0.0010456500000000, -0.0001077000000000, -0.0017406600000000 ] - [ -0.0022133900000000, -0.0011341700000000, -0.0030309200000000 ] - [ 0.0239107200000000, 0.0002628000000000, -0.0088377300000000 ] - [ 0.0309155300000000, 0.0127038000000000, 0.0225623700000000 ] - [ -0.0010158800000000, -0.0008803500000000, -0.0018243900000000 ] - [ -0.0005111800000000, 0.0005500400000000, 0.0002446300000000 ] - [ -0.0002371300000000, 0.0001553900000000, -0.0010569700000000 ] - [ 0.0000124200000000, -0.0000184900000000, 0.0018009400000000 ] - [ -0.0043129400000000, 0.0019692300000000, -0.0019193000000000 ] - [ -0.0013008600000000, 0.0001112000000000, -0.0000425900000000 ] - [ -0.0000742400000000, 0.0000781800000000, 0.0028448900000000 ] - [ -0.0018897300000000, -0.0008368600000000, 0.0025860400000000 ] - [ -0.0014570400000000, -0.0000728100000000, 0.0026206600000000 ] - [ 0.0034623200000000, 0.0001015800000000, -0.0042556600000000 ] - [ 0.0012566800000000, -0.0002010400000000, 0.0025284600000000 ] - [ 0.0008116900000000, 0.0004432800000000, -0.0009883200000000 ] - [ -0.0002062400000000, -0.0001242700000000, -0.0000684500000000 ] - [ -0.0010037300000000, 0.0002194500000000, -0.0007510200000000 ] - [ 0.0002315000000000, -0.0007437500000000, -0.0005622200000000 ] - [ -0.0001427100000000, -0.0000209600000000, 0.0006816800000000 ] - [ -0.0001134700000000, 0.0001692200000000, 0.0013701400000000 ] - [ 0.0005526300000000, -0.0008319800000000, 0.0022082100000000 ] - [ -0.0010765800000000, -0.0000376200000000, -0.0004787000000000 ] - [ -0.0048352700000000, -0.0012960500000000, -0.0022483100000000 ] - [ -0.0018424700000000, 0.0009125500000000, -0.0004475900000000 ] - [ 0.0002170200000000, 0.0002203500000000, 0.0005746600000000 ] - [ -0.0007591500000000, -0.0002058900000000, -0.0001299600000000 ] - [ -0.0039702200000000, 0.0014094900000000, 0.0038279200000000 ] - [ 0.0031156900000000, 0.0018136700000000, -0.0052936000000000 ] - [ -0.0011321900000000, -0.0002770500000000, -0.0011800100000000 ] - [ -0.0002483700000000, 0.0007216200000000, 0.0014013700000000 ] - [ -0.0021919400000000, -0.0011111600000000, 0.0018947800000000 ] - [ -0.0009872000000000, -0.0001201700000000, -0.0000584100000000 ] - [ -0.0011263200000000, -0.0003480000000000, -0.0011251000000000 ] - [ 0.0004666200000000, 0.0004196600000000, 0.0008652900000000 ]- atom: 27 displacement: [ -0.0099999987502926, 0.0000000000000000, 0.0000049994145799 ] forces: - [ -0.0019137700000000, 0.0009605100000000, -0.0055406000000000 ] - [ 0.0022978000000000, -0.0001631900000000, -0.0037009400000000 ] - [ -0.0019150400000000, 0.0006033100000000, -0.0034306400000000 ] - [ -0.0008326500000000, 0.0002852300000000, 0.0009433900000000 ] - [ -0.0126597100000000, -0.0021428100000000, -0.0221732400000000 ] - [ 0.0166969500000000, -0.0080406500000000, -0.0023811900000000 ] - [ -0.0040447000000000, -0.0003877800000000, -0.0030015200000000 ] - [ -0.0035407600000000, 0.0003206900000000, -0.0005942900000000 ] - [ -0.0006787200000000, 0.0008242700000000, 0.0018206100000000 ] - [ -0.0009028600000000, -0.0001106600000000, -0.0009669400000000 ] - [ 0.0003452300000000, -0.0000240200000000, 0.0021496900000000 ] - [ -0.0002663500000000, 0.0002353600000000, -0.0047602300000000 ] - [ -0.0026463500000000, -0.0003882600000000, 0.0005270300000000 ] - [ -0.0019326300000000, -0.0000082400000000, 0.0003427800000000 ] - [ -0.0001570200000000, -0.0004225900000000, 0.0048879600000000 ] - [ -0.0197524100000000, 0.0024398800000000, 0.0094611700000000 ] - [ -0.0012548600000000, -0.0007986100000000, 0.0020626700000000 ] - [ -0.0005730800000000, -0.0004018800000000, -0.0006057900000000 ] - [ -0.0003065000000000, -0.0002613900000000, -0.0001293000000000 ] - [ 0.0000320300000000, -0.0009826800000000, 0.0018801900000000 ] - [ -0.0128137200000000, -0.0013695300000000, -0.0162207400000000 ] - [ 0.0020452800000000, 0.0000047900000000, 0.0012505900000000 ] - [ -0.0038630600000000, -0.0002471500000000, -0.0004107900000000 ] - [ -0.0021382800000000, 0.0001801800000000, -0.0012235400000000 ] - [ -0.0026963100000000, 0.0004035600000000, -0.0003112400000000 ] - [ -0.0022370500000000, -0.0009537900000000, -0.0036272300000000 ] - [ 0.2866169200000000, -0.0039706900000000, 0.0037019000000000 ] - [ -0.0043738900000000, 0.0001151400000000, 0.0026249700000000 ] - [ -0.0004212200000000, 0.0000254600000000, -0.0018906000000000 ] - [ -0.0040245000000000, 0.0000290200000000, -0.0046643100000000 ] - [ -0.0026717200000000, -0.0003003100000000, 0.0008525800000000 ] - [ -0.0014334900000000, -0.0002859900000000, -0.0022562000000000 ] - [ -0.0047459400000000, 0.0002898100000000, 0.0023381300000000 ] - [ 0.0074471800000000, 0.0011292900000000, 0.0092230900000000 ] - [ 0.0206703700000000, 0.0023051200000000, -0.0112560800000000 ] - [ 0.0013736300000000, -0.0006101400000000, 0.0014840800000000 ] - [ -0.0021291000000000, -0.0003218400000000, -0.0008784800000000 ] - [ -0.0044013300000000, 0.0014727600000000, -0.0025569700000000 ] - [ 0.0015859400000000, 0.0001797200000000, -0.0013385300000000 ] - [ -0.0003388600000000, -0.0009362300000000, 0.0030430800000000 ] - [ 0.0005108500000000, 0.0000642500000000, 0.0008078000000000 ] - [ 0.0005098900000000, -0.0010069900000000, -0.0011010500000000 ] - [ 0.0009523900000000, -0.0002943500000000, 0.0000495700000000 ] - [ 0.0023615700000000, 0.0003207000000000, -0.0012817000000000 ] - [ 0.0002453100000000, -0.0004134700000000, 0.0001799600000000 ] - [ -0.0005062300000000, 0.0017950700000000, 0.0014006000000000 ] - [ -0.0002028900000000, 0.0001267900000000, -0.0015823500000000 ] - [ 0.0010037800000000, -0.0007805200000000, 0.0005714600000000 ] - [ -0.0023149700000000, -0.0018059400000000, -0.0006092200000000 ] - [ 0.0016862200000000, 0.0001575100000000, -0.0005105600000000 ] - [ -0.0026772100000000, 0.0006166200000000, 0.0014891200000000 ] - [ 0.0010606600000000, 0.0000194400000000, -0.0001463600000000 ] - [ -0.0017367300000000, 0.0029764000000000, 0.0048352500000000 ] - [ -0.0023050800000000, 0.0001043000000000, 0.0002837900000000 ] - [ 0.0011331100000000, 0.0001769500000000, 0.0023903600000000 ] - [ 0.0023297400000000, -0.0009252800000000, 0.0002934500000000 ] - [ 0.0044780900000000, -0.0015835500000000, 0.0037387900000000 ] - [ 0.0007486500000000, -0.0003232100000000, 0.0016210100000000 ] - [ 0.0022387200000000, 0.0002886100000000, 0.0011306000000000 ] - [ 0.0020374000000000, 0.0000558200000000, 0.0006595900000000 ] - [ 0.0012480100000000, -0.0005732500000000, 0.0004247600000000 ] - [ 0.0014877100000000, 0.0002158900000000, 0.0020520500000000 ] - [ -0.0001452400000000, 0.0003752800000000, 0.0005318500000000 ] - [ -0.0009856800000000, 0.0000885800000000, 0.0022197800000000 ] - [ -0.0036510600000000, 0.0011436900000000, -0.0064357400000000 ] - [ -0.0003597200000000, -0.0006212300000000, 0.0002484200000000 ] - [ 0.0027282400000000, 0.0000187800000000, 0.0036933300000000 ] - [ 0.0007908600000000, -0.0001759200000000, 0.0019615500000000 ] - [ 0.0014654200000000, -0.0011010500000000, 0.0032945900000000 ] - [ -0.0750101200000000, -0.0528091800000000, 0.0484212900000000 ] - [ 0.0015801000000000, 0.0000194200000000, -0.0004778100000000 ] - [ -0.1438335900000000, 0.0782259900000000, -0.0203557900000000 ] - [ 0.0001231700000000, 0.0007200300000000, 0.0016139200000000 ] - [ -0.0002026700000000, -0.0013474000000000, 0.0042662500000000 ] - [ 0.0018622600000000, -0.0006516600000000, 0.0006341200000000 ] - [ 0.0008861700000000, 0.0004345900000000, 0.0000287700000000 ] - [ -0.0051436600000000, -0.0004657700000000, 0.0003966700000000 ] - [ 0.0006448400000000, 0.0005612500000000, 0.0021595000000000 ] - [ 0.0014982400000000, 0.0009588500000000, 0.0031950400000000 ] - [ -0.0234984500000000, -0.0006428000000000, 0.0085159200000000 ] - [ -0.0307518500000000, -0.0125505200000000, -0.0228750600000000 ] - [ 0.0011316100000000, 0.0008676400000000, 0.0023637400000000 ] - [ 0.0010285100000000, 0.0000289500000000, -0.0003299700000000 ] - [ 0.0006747100000000, 0.0002447100000000, -0.0001475800000000 ] - [ -0.0000060300000000, 0.0004921900000000, -0.0008094700000000 ] - [ 0.0047886800000000, -0.0021170100000000, 0.0022338500000000 ] - [ 0.0011912300000000, -0.0001252500000000, -0.0004905700000000 ] - [ -0.0004007700000000, 0.0003383800000000, -0.0016071600000000 ] - [ 0.0022695500000000, -0.0000418600000000, -0.0025825500000000 ] - [ 0.0022580100000000, 0.0003208700000000, -0.0029069400000000 ] - [ -0.0029222000000000, -0.0005536800000000, 0.0044689800000000 ] - [ -0.0016515000000000, 0.0004337900000000, -0.0019794200000000 ] - [ -0.0006872800000000, -0.0002600000000000, 0.0010276500000000 ] - [ -0.0006009500000000, 0.0003701100000000, 0.0003591600000000 ] - [ 0.0019025000000000, -0.0002290200000000, 0.0007715700000000 ] - [ -0.0006116200000000, -0.0001310700000000, 0.0005475200000000 ] - [ 0.0001706800000000, 0.0003016500000000, -0.0005133300000000 ] - [ -0.0004127800000000, 0.0004069900000000, -0.0012768700000000 ] - [ -0.0009064800000000, 0.0006944000000000, -0.0014935300000000 ] - [ 0.0014751200000000, 0.0004900300000000, 0.0000578000000000 ] - [ 0.0043190100000000, 0.0008573400000000, 0.0020374100000000 ] - [ 0.0018022400000000, -0.0006243300000000, 0.0002869800000000 ] - [ -0.0011268100000000, -0.0002191300000000, -0.0005811500000000 ] - [ 0.0007404800000000, 0.0006756400000000, -0.0008521200000000 ] - [ 0.0038472200000000, -0.0012125300000000, -0.0038759600000000 ] - [ -0.0036133800000000, -0.0019785100000000, 0.0049424500000000 ] - [ 0.0015100900000000, 0.0005088000000000, 0.0006359800000000 ] - [ -0.0001614900000000, -0.0002628800000000, -0.0009675000000000 ] - [ 0.0014648800000000, 0.0009274100000000, -0.0017139200000000 ] - [ 0.0016940500000000, -0.0000575500000000, -0.0001026600000000 ] - [ 0.0014694500000000, 0.0002180600000000, 0.0004206200000000 ] - [ -0.0003684300000000, -0.0004325200000000, -0.0003310600000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005106200000000, -0.0001634600000000, 0.0011255600000000 ] - [ -0.0011336300000000, -0.0004370200000000, 0.0011871400000000 ] - [ 0.0006833100000000, 0.0002146300000000, -0.0003568500000000 ] - [ -0.0006552000000000, -0.0000505300000000, 0.0003819900000000 ] - [ -0.0012869600000000, -0.0098075300000000, -0.0098170300000000 ] - [ -0.0062377700000000, 0.0257902100000000, -0.0055778300000000 ] - [ 0.0024488500000000, 0.0004733500000000, 0.0003929200000000 ] - [ 0.0002170800000000, 0.0000269700000000, -0.0004027700000000 ] - [ -0.0000597200000000, 0.0003810300000000, 0.0005262500000000 ] - [ 0.0001882000000000, 0.0000357500000000, 0.0004777600000000 ] - [ -0.0007451900000000, 0.0003644200000000, -0.0004373700000000 ] - [ 0.0018579500000000, 0.0004573600000000, 0.0013146500000000 ] - [ -0.0002845200000000, -0.0001818000000000, -0.0000094300000000 ] - [ 0.0003674400000000, 0.0003356100000000, 0.0008342000000000 ] - [ -0.0001199000000000, 0.0002640900000000, 0.0003891700000000 ] - [ 0.0070314400000000, 0.0276326800000000, 0.0032518700000000 ] - [ -0.0007147500000000, -0.0007534000000000, 0.0005680100000000 ] - [ -0.0002487900000000, -0.0002434800000000, 0.0000169800000000 ] - [ 0.0002538200000000, -0.0001871200000000, 0.0001331200000000 ] - [ -0.0005216600000000, -0.0003167000000000, -0.0001040600000000 ] - [ 0.0159618400000000, -0.0090565300000000, 0.0078577400000000 ] - [ -0.0007580200000000, 0.0005670900000000, -0.0004255000000000 ] - [ 0.0001401700000000, 0.0001181800000000, -0.0008508400000000 ] - [ 0.0008403500000000, 0.0000208000000000, 0.0003482900000000 ] - [ -0.0007341400000000, 0.0005741100000000, 0.0002427200000000 ] - [ 0.0005238000000000, -0.0004191200000000, 0.0004834300000000 ] - [ 0.0051623900000000, -0.2511484100000000, 0.0254275900000000 ] - [ 0.0003578000000000, 0.0009003100000000, -0.0005319600000000 ] - [ -0.0007075800000000, 0.0001821100000000, -0.0000136800000000 ] - [ -0.0000688800000000, -0.0005582700000000, 0.0002219700000000 ] - [ 0.0000225900000000, -0.0005633600000000, 0.0007136500000000 ] - [ 0.0005367100000000, 0.0000267400000000, 0.0001220100000000 ] - [ 0.0000536000000000, -0.0009551900000000, 0.0012707200000000 ] - [ -0.0049896300000000, -0.0049838200000000, 0.0040790000000000 ] - [ -0.0087278900000000, 0.0112841600000000, 0.0159203800000000 ] - [ -0.0005357300000000, -0.0007145100000000, 0.0002363100000000 ] - [ 0.0004192500000000, -0.0001707600000000, 0.0001551600000000 ] - [ 0.0014237600000000, 0.0010128400000000, 0.0003853000000000 ] - [ -0.0002610200000000, -0.0001901900000000, 0.0010452100000000 ] - [ -0.0010305200000000, -0.0001766700000000, -0.0000753800000000 ] - [ -0.0002553700000000, 0.0000877400000000, -0.0002131500000000 ] - [ 0.0002244600000000, -0.0003631500000000, 0.0000922500000000 ] - [ 0.0001536800000000, -0.0003832300000000, -0.0002143100000000 ] - [ -0.0002673500000000, 0.0000022000000000, 0.0012194500000000 ] - [ -0.0001227200000000, -0.0002176200000000, -0.0003315600000000 ] - [ 0.0006799300000000, 0.0012719300000000, -0.0001548400000000 ] - [ 0.0001451300000000, 0.0000885200000000, -0.0002844300000000 ] - [ -0.0000773200000000, -0.0004912500000000, 0.0001070800000000 ] - [ 0.0016076100000000, 0.0001581000000000, -0.0016273700000000 ] - [ 0.0002132900000000, -0.0002154500000000, -0.0000253200000000 ] - [ 0.0008273800000000, -0.0004430700000000, -0.0019719900000000 ] - [ 0.0001306700000000, 0.0000684800000000, -0.0000316600000000 ] - [ -0.0003714800000000, -0.0023390000000000, -0.0024444800000000 ] - [ 0.0006505100000000, 0.0004484400000000, -0.0001102400000000 ] - [ -0.0005313800000000, 0.0002378600000000, -0.0001504000000000 ] - [ 0.0003949700000000, -0.0001183200000000, 0.0003381900000000 ] - [ -0.0046444300000000, 0.0026906100000000, -0.0040182300000000 ] - [ -0.0006235800000000, 0.0003569800000000, 0.0006285800000000 ] - [ -0.0000163300000000, -0.0003073300000000, 0.0003598400000000 ] - [ -0.0001286200000000, -0.0000436200000000, 0.0007217800000000 ] - [ 0.0003803100000000, -0.0001845500000000, -0.0000300100000000 ] - [ -0.0008551800000000, 0.0001312300000000, -0.0001324300000000 ] - [ 0.0003553600000000, 0.0001103000000000, -0.0002689700000000 ] - [ -0.0000298400000000, 0.0001123200000000, -0.0006704000000000 ] - [ 0.0025187500000000, -0.0030437200000000, -0.0017806900000000 ] - [ 0.0001021700000000, -0.0004515000000000, -0.0000793200000000 ] - [ -0.0001463800000000, -0.0006562000000000, 0.0007457300000000 ] - [ -0.0006712200000000, 0.0004009500000000, -0.0003435800000000 ] - [ -0.0005061200000000, 0.0000498800000000, 0.0000545200000000 ] - [ 0.0575834500000000, 0.0872672400000000, -0.0691024800000000 ] - [ -0.0000914800000000, -0.0002243700000000, 0.0000935500000000 ] - [ -0.0737409800000000, 0.0682994500000000, -0.0103122300000000 ] - [ -0.0009552800000000, -0.0001071500000000, -0.0003466600000000 ] - [ -0.0006511800000000, 0.0032947100000000, -0.0016597600000000 ] - [ -0.0001974800000000, -0.0000156500000000, 0.0004115400000000 ] - [ -0.0001148000000000, -0.0000067200000000, -0.0001800200000000 ] - [ 0.0014520700000000, -0.0009831400000000, -0.0018922700000000 ] - [ -0.0006320200000000, 0.0003376200000000, 0.0000979300000000 ] - [ -0.0008113300000000, 0.0010726600000000, 0.0001613700000000 ] - [ 0.0045163500000000, -0.0004760400000000, -0.0127800000000000 ] - [ 0.0084749300000000, 0.0587831600000000, 0.0643635700000000 ] - [ -0.0000781600000000, -0.0002350900000000, -0.0003348100000000 ] - [ 0.0001854100000000, 0.0002174700000000, -0.0003041800000000 ] - [ -0.0000501000000000, 0.0000976900000000, -0.0007313000000000 ] - [ 0.0001874700000000, 0.0000557000000000, 0.0002201800000000 ] - [ 0.0009785800000000, -0.0020422000000000, -0.0001093500000000 ] - [ -0.0000611600000000, 0.0000812000000000, -0.0004466000000000 ] - [ -0.0001666000000000, 0.0006698600000000, 0.0007520400000000 ] - [ 0.0007520600000000, -0.0009404300000000, -0.0001967200000000 ] - [ 0.0002733300000000, 0.0002257500000000, -0.0002222800000000 ] - [ -0.0004021400000000, 0.0015295700000000, -0.0041777300000000 ] - [ 0.0001176600000000, -0.0001085700000000, 0.0003603300000000 ] - [ -0.0002232500000000, -0.0001083500000000, -0.0006512400000000 ] - [ -0.0003183800000000, 0.0000327600000000, -0.0005442200000000 ] - [ 0.0002621900000000, -0.0000057000000000, -0.0000008700000000 ] - [ -0.0006583400000000, -0.0002767600000000, -0.0004420600000000 ] - [ 0.0003956800000000, 0.0003033300000000, 0.0001300200000000 ] - [ -0.0000801900000000, 0.0004468800000000, -0.0002372900000000 ] - [ 0.0001941900000000, -0.0000838200000000, 0.0004554900000000 ] - [ 0.0001311300000000, 0.0002431400000000, -0.0002702400000000 ] - [ -0.0006437700000000, 0.0006473300000000, 0.0000516300000000 ] - [ -0.0000489900000000, 0.0001653400000000, -0.0000865900000000 ] - [ -0.0001323600000000, -0.0001215100000000, -0.0000159700000000 ] - [ -0.0000833400000000, 0.0002191000000000, -0.0007089700000000 ] - [ -0.0014589900000000, 0.0005355500000000, -0.0001970800000000 ] - [ -0.0024654800000000, -0.0049990900000000, -0.0002080600000000 ] - [ -0.0001781700000000, 0.0000898200000000, -0.0005333800000000 ] - [ 0.0001300600000000, 0.0001376300000000, 0.0001624000000000 ] - [ -0.0003318700000000, -0.0002464200000000, 0.0002316500000000 ] - [ 0.0004603500000000, -0.0001720500000000, -0.0001922200000000 ] - [ 0.0000509900000000, -0.0001170900000000, -0.0004948700000000 ] - [ 0.0001136200000000, -0.0000249100000000, -0.0000026900000000 ]- atom: 27 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005204200000000, 0.0010322700000000, -0.0011222800000000 ] - [ 0.0006049000000000, 0.0002973100000000, -0.0019076000000000 ] - [ -0.0009255700000000, 0.0003844700000000, -0.0008679000000000 ] - [ 0.0004253200000000, 0.0001180000000000, 0.0000364500000000 ] - [ 0.0012870800000000, 0.0094064500000000, 0.0098923000000000 ] - [ 0.0064731500000000, -0.0252917800000000, 0.0069838900000000 ] - [ -0.0019367400000000, -0.0006206500000000, 0.0003170000000000 ] - [ 0.0000229600000000, 0.0000406300000000, -0.0000237700000000 ] - [ 0.0000651800000000, 0.0004892800000000, -0.0005348000000000 ] - [ -0.0007102400000000, -0.0001811400000000, -0.0011917100000000 ] - [ 0.0005201500000000, 0.0002355000000000, -0.0007980600000000 ] - [ -0.0021127600000000, -0.0003929400000000, -0.0008990200000000 ] - [ 0.0002910000000000, -0.0002707100000000, 0.0000062600000000 ] - [ -0.0001298200000000, 0.0002631600000000, 0.0003880200000000 ] - [ 0.0006515900000000, -0.0004095800000000, 0.0003112800000000 ] - [ -0.0070062700000000, -0.0276744900000000, -0.0036474600000000 ] - [ 0.0012099300000000, 0.0003600200000000, -0.0004868100000000 ] - [ -0.0002455700000000, -0.0002317200000000, -0.0001152900000000 ] - [ 0.0002411000000000, -0.0002182500000000, -0.0000273600000000 ] - [ 0.0000266800000000, -0.0001652100000000, 0.0000038200000000 ] - [ -0.0162889900000000, 0.0079571100000000, -0.0071188100000000 ] - [ 0.0001395500000000, -0.0005262300000000, -0.0001537600000000 ] - [ 0.0005661300000000, 0.0000853100000000, 0.0018801000000000 ] - [ -0.0002160400000000, 0.0000278600000000, 0.0002222800000000 ] - [ -0.0003346600000000, 0.0005729700000000, -0.0002072700000000 ] - [ -0.0003363100000000, -0.0007603400000000, -0.0012431000000000 ] - [ 0.0008356000000000, 0.2520019400000000, -0.0308574300000000 ] - [ 0.0007247800000000, 0.0002451900000000, 0.0004887200000000 ] - [ 0.0000107300000000, 0.0000224700000000, -0.0010085900000000 ] - [ -0.0006012900000000, 0.0000863500000000, -0.0001640600000000 ] - [ -0.0002105300000000, -0.0006155700000000, 0.0000391100000000 ] - [ -0.0011660600000000, 0.0000212600000000, -0.0006956900000000 ] - [ 0.0006558500000000, 0.0011646200000000, -0.0002575000000000 ] - [ 0.0056627200000000, 0.0049898800000000, -0.0035441900000000 ] - [ 0.0077451400000000, -0.0102041300000000, -0.0160557600000000 ] - [ 0.0007411400000000, -0.0004621500000000, -0.0010025900000000 ] - [ 0.0002489500000000, -0.0003010400000000, -0.0002125700000000 ] - [ -0.0003639600000000, 0.0001232100000000, -0.0004207100000000 ] - [ -0.0004335400000000, 0.0003973900000000, -0.0020772800000000 ] - [ 0.0003721100000000, -0.0002943000000000, 0.0001239700000000 ] - [ -0.0000521400000000, 0.0000636900000000, 0.0000621700000000 ] - [ -0.0004785300000000, -0.0004209200000000, 0.0002237500000000 ] - [ 0.0001012700000000, -0.0004128900000000, -0.0000879100000000 ] - [ 0.0006627700000000, -0.0004443100000000, -0.0009084100000000 ] - [ -0.0002793800000000, -0.0002172900000000, 0.0000183600000000 ] - [ -0.0003404100000000, -0.0012275200000000, 0.0003108800000000 ] - [ -0.0004560000000000, 0.0000630300000000, 0.0001320900000000 ] - [ -0.0001787200000000, -0.0002959800000000, 0.0002012500000000 ] - [ -0.0013547300000000, -0.0009855400000000, 0.0013287100000000 ] - [ 0.0001846400000000, -0.0002225400000000, 0.0003375800000000 ] - [ -0.0012454800000000, 0.0000128700000000, 0.0016801700000000 ] - [ 0.0001806500000000, 0.0000857700000000, 0.0001812500000000 ] - [ 0.0009352600000000, 0.0029316100000000, 0.0023783700000000 ] - [ -0.0002154700000000, -0.0000513800000000, -0.0010875300000000 ] - [ 0.0005538200000000, 0.0002325100000000, 0.0011361400000000 ] - [ 0.0000922700000000, -0.0000197100000000, -0.0000152600000000 ] - [ 0.0045716800000000, -0.0027227800000000, 0.0035017300000000 ] - [ 0.0001875200000000, 0.0000423300000000, 0.0005757300000000 ] - [ 0.0003994700000000, -0.0005706200000000, -0.0003477900000000 ] - [ 0.0009375800000000, 0.0002922700000000, -0.0010193100000000 ] - [ 0.0001580000000000, -0.0002819000000000, 0.0002624500000000 ] - [ 0.0004793500000000, 0.0001012400000000, 0.0006758200000000 ] - [ -0.0002364500000000, 0.0000738600000000, 0.0003129100000000 ] - [ -0.0007752800000000, 0.0001357000000000, 0.0009626500000000 ] - [ -0.0016198900000000, 0.0030361400000000, 0.0017910100000000 ] - [ -0.0004868200000000, -0.0004244800000000, 0.0000665400000000 ] - [ 0.0001816200000000, 0.0009461400000000, -0.0005871000000000 ] - [ 0.0001558400000000, 0.0001768600000000, 0.0004307500000000 ] - [ 0.0001636800000000, -0.0001800200000000, 0.0006530000000000 ] - [ -0.0598752400000000, -0.0898771600000000, 0.0721189500000000 ] - [ -0.0004536400000000, -0.0002424600000000, -0.0003220400000000 ] - [ 0.0706153700000000, -0.0666856500000000, 0.0093739900000000 ] - [ 0.0000567000000000, 0.0000981600000000, 0.0003269700000000 ] - [ 0.0006506200000000, -0.0028465700000000, 0.0006770900000000 ] - [ 0.0000757900000000, 0.0002021300000000, -0.0004556800000000 ] - [ -0.0003784300000000, -0.0001342300000000, -0.0001420700000000 ] - [ -0.0010810100000000, 0.0012296600000000, 0.0013722100000000 ] - [ 0.0002338000000000, 0.0001152200000000, 0.0003240000000000 ] - [ 0.0001048500000000, -0.0012559400000000, -0.0000006200000000 ] - [ -0.0039161200000000, 0.0001681000000000, 0.0126828500000000 ] - [ -0.0074286000000000, -0.0580641600000000, -0.0625753700000000 ] - [ 0.0001850100000000, 0.0002220500000000, 0.0008704900000000 ] - [ 0.0003322500000000, 0.0003612300000000, 0.0002206600000000 ] - [ 0.0004880700000000, 0.0003027100000000, -0.0004717700000000 ] - [ -0.0001759000000000, 0.0004180300000000, 0.0007704900000000 ] - [ -0.0005010100000000, 0.0019187700000000, 0.0004150700000000 ] - [ -0.0000459900000000, -0.0000955800000000, -0.0000849300000000 ] - [ -0.0002871100000000, -0.0002578500000000, 0.0004682200000000 ] - [ -0.0003747500000000, 0.0000693000000000, 0.0002159400000000 ] - [ 0.0005279300000000, 0.0000219900000000, -0.0000608100000000 ] - [ 0.0009499500000000, -0.0020109800000000, 0.0044460800000000 ] - [ -0.0005014500000000, 0.0003409400000000, 0.0001849700000000 ] - [ 0.0003445700000000, 0.0002942500000000, 0.0006984200000000 ] - [ -0.0004906400000000, 0.0002149400000000, 0.0008416100000000 ] - [ 0.0006390800000000, -0.0000046400000000, 0.0000234700000000 ] - [ 0.0002771400000000, -0.0006004400000000, 0.0004302700000000 ] - [ -0.0003705400000000, -0.0000213500000000, 0.0000312100000000 ] - [ -0.0004434900000000, 0.0001282000000000, 0.0003299200000000 ] - [ -0.0005456500000000, -0.0000483100000000, 0.0002548000000000 ] - [ 0.0002705500000000, 0.0002104100000000, -0.0001516400000000 ] - [ 0.0001108600000000, -0.0011171900000000, -0.0002878300000000 ] - [ 0.0000179900000000, 0.0001197100000000, -0.0000720000000000 ] - [ -0.0007728200000000, 0.0001160600000000, -0.0000012400000000 ] - [ 0.0000641400000000, 0.0002510800000000, -0.0002723900000000 ] - [ 0.0013344300000000, -0.0003537100000000, 0.0001602600000000 ] - [ 0.0019907100000000, 0.0048796600000000, -0.0001141400000000 ] - [ 0.0005584200000000, 0.0001426500000000, -0.0000068100000000 ] - [ -0.0005368600000000, 0.0003189600000000, 0.0002650200000000 ] - [ -0.0003903500000000, 0.0000633000000000, -0.0000601100000000 ] - [ 0.0002544900000000, -0.0000091300000000, 0.0000272700000000 ] - [ 0.0002933300000000, -0.0000127800000000, -0.0002109100000000 ] - [ -0.0000154900000000, 0.0000120400000000, 0.0005383000000000 ]- atom: 27 displacement: [ -0.0057565208649526, 0.0000000000000000, 0.0081769473235044 ] forces: - [ 0.0026791400000000, -0.0002895900000000, 0.0006828700000000 ] - [ 0.0024646800000000, -0.0001363700000000, 0.0036254900000000 ] - [ 0.0016446400000000, 0.0001278100000000, -0.0002602300000000 ] - [ -0.0014220200000000, 0.0001803900000000, 0.0031054800000000 ] - [ 0.0098364600000000, -0.0048425000000000, -0.0027680100000000 ] - [ 0.0099027900000000, -0.0042127200000000, 0.0158131500000000 ] - [ 0.0031093900000000, 0.0006307000000000, -0.0004627300000000 ] - [ -0.0011968500000000, 0.0000524100000000, -0.0008034700000000 ] - [ -0.0018316600000000, 0.0004304900000000, 0.0025799300000000 ] - [ -0.0003729800000000, 0.0001937500000000, 0.0020492500000000 ] - [ -0.0040533000000000, -0.0000531400000000, 0.0040914100000000 ] - [ 0.0039368300000000, 0.0002151500000000, 0.0028133900000000 ] - [ -0.0019548700000000, -0.0001596900000000, 0.0008062900000000 ] - [ -0.0005397800000000, 0.0003139400000000, 0.0012395500000000 ] - [ -0.0049861500000000, 0.0003113500000000, 0.0020635700000000 ] - [ -0.0138140200000000, -0.0044643200000000, -0.0158623800000000 ] - [ -0.0003167700000000, 0.0008558300000000, -0.0017403300000000 ] - [ -0.0002067100000000, -0.0003472600000000, -0.0000176900000000 ] - [ 0.0000988500000000, -0.0003720700000000, -0.0000287100000000 ] - [ -0.0012333700000000, -0.0012435400000000, 0.0016856400000000 ] - [ 0.0166358600000000, -0.0066163300000000, 0.0004479100000000 ] - [ -0.0023023600000000, 0.0007814600000000, 0.0046435200000000 ] - [ -0.0002011500000000, -0.0001967000000000, -0.0026367600000000 ] - [ 0.0004747800000000, -0.0000318100000000, 0.0003027200000000 ] - [ -0.0013514200000000, 0.0005598900000000, 0.0009155400000000 ] - [ 0.0022867700000000, -0.0000960500000000, 0.0008565300000000 ] - [ 0.1610811600000000, 0.0232302400000000, -0.2446138400000000 ] - [ -0.0036240300000000, 0.0009300300000000, 0.0000611500000000 ] - [ 0.0001027500000000, -0.0002041500000000, 0.0010352300000000 ] - [ 0.0013876700000000, -0.0002399400000000, 0.0005124700000000 ] - [ -0.0020046700000000, -0.0003040400000000, 0.0007166000000000 ] - [ 0.0009996000000000, 0.0001258200000000, 0.0007820000000000 ] - [ -0.0034899900000000, -0.0000947600000000, -0.0008082600000000 ] - [ -0.0078282600000000, 0.0034761100000000, 0.0131982500000000 ] - [ 0.0002166400000000, 0.0092559200000000, 0.0140742300000000 ] - [ -0.0025844400000000, -0.0010769600000000, 0.0031887800000000 ] - [ -0.0003847500000000, -0.0001350200000000, 0.0000728400000000 ] - [ 0.0021177700000000, 0.0009326300000000, -0.0024063600000000 ] - [ 0.0003017300000000, -0.0003010900000000, 0.0036890000000000 ] - [ -0.0028032500000000, -0.0005556800000000, 0.0028738200000000 ] - [ -0.0005992800000000, 0.0000475000000000, -0.0001690300000000 ] - [ 0.0016052200000000, -0.0007746200000000, -0.0000600500000000 ] - [ 0.0002728400000000, -0.0003156000000000, -0.0002217900000000 ] - [ 0.0001788800000000, -0.0000002900000000, 0.0018744800000000 ] - [ -0.0001770900000000, -0.0001807200000000, -0.0006453100000000 ] - [ -0.0008083600000000, -0.0021076600000000, 0.0072593400000000 ] - [ 0.0012386200000000, 0.0001512400000000, -0.0022577800000000 ] - [ -0.0001821000000000, -0.0003296200000000, 0.0003552700000000 ] - [ -0.0014190500000000, -0.0018323800000000, 0.0026261400000000 ] - [ 0.0004216700000000, -0.0001233900000000, 0.0009187700000000 ] - [ 0.0007437100000000, -0.0002429400000000, -0.0030158800000000 ] - [ 0.0005203200000000, 0.0000235700000000, -0.0000966000000000 ] - [ -0.0040962600000000, 0.0007115700000000, -0.0006900500000000 ] - [ 0.0014694100000000, -0.0000011400000000, -0.0053069300000000 ] - [ -0.0011779300000000, 0.0003976000000000, 0.0000382900000000 ] - [ 0.0020181100000000, -0.0007201000000000, 0.0006673600000000 ] - [ -0.0059186000000000, 0.0023680300000000, -0.0030455300000000 ] - [ -0.0007248700000000, 0.0003524000000000, 0.0007140900000000 ] - [ 0.0004060900000000, -0.0001842400000000, 0.0009518800000000 ] - [ -0.0007349000000000, 0.0000153000000000, 0.0019225200000000 ] - [ 0.0006613500000000, -0.0002228300000000, -0.0006990700000000 ] - [ -0.0012022000000000, 0.0002103600000000, -0.0002995900000000 ] - [ 0.0001866800000000, 0.0001081700000000, -0.0013169200000000 ] - [ -0.0008205700000000, -0.0001020300000000, -0.0008680700000000 ] - [ 0.0044981800000000, -0.0004265800000000, -0.0023685400000000 ] - [ -0.0005054700000000, -0.0002866500000000, -0.0013601200000000 ] - [ -0.0018375000000000, -0.0008442100000000, -0.0000458400000000 ] - [ -0.0012981400000000, 0.0003635900000000, -0.0002283500000000 ] - [ -0.0012569700000000, 0.0001476800000000, -0.0004040700000000 ] - [ -0.0844331600000000, -0.0852105900000000, 0.1068433900000000 ] - [ 0.0011583200000000, 0.0000802300000000, 0.0004600800000000 ] - [ -0.0621163700000000, 0.0328183300000000, 0.0170320400000000 ] - [ -0.0014245700000000, -0.0003139900000000, -0.0009112500000000 ] - [ -0.0042853600000000, 0.0000276700000000, -0.0006665700000000 ] - [ 0.0001042400000000, -0.0000817500000000, 0.0009344300000000 ] - [ 0.0002194400000000, 0.0003003000000000, -0.0005999800000000 ] - [ -0.0007641500000000, 0.0004105600000000, -0.0029414900000000 ] - [ -0.0013067300000000, 0.0005337600000000, -0.0000177000000000 ] - [ -0.0026942700000000, 0.0000183200000000, 0.0011093500000000 ] - [ -0.0124768000000000, -0.0097220300000000, -0.0004947300000000 ] - [ -0.0030510700000000, 0.0512714600000000, 0.0971545000000000 ] - [ -0.0018955100000000, -0.0002783300000000, -0.0009441100000000 ] - [ 0.0008484700000000, 0.0000640400000000, -0.0007928500000000 ] - [ 0.0001084600000000, 0.0000708700000000, -0.0011801100000000 ] - [ 0.0019080600000000, -0.0004722800000000, -0.0016935000000000 ] - [ -0.0001595600000000, 0.0009460000000000, 0.0033808300000000 ] - [ 0.0019381300000000, 0.0001584600000000, -0.0002926200000000 ] - [ 0.0038025100000000, -0.0015162300000000, -0.0039029100000000 ] - [ 0.0028141900000000, 0.0000039400000000, 0.0006392700000000 ] - [ 0.0023460500000000, -0.0001419000000000, -0.0017124400000000 ] - [ -0.0025457300000000, 0.0004041200000000, -0.0027870000000000 ] - [ 0.0013910200000000, 0.0003046000000000, -0.0019141400000000 ] - [ -0.0004883900000000, -0.0002236300000000, -0.0014352900000000 ] - [ 0.0003593000000000, 0.0000617700000000, -0.0021899700000000 ] - [ 0.0006182900000000, 0.0000264300000000, 0.0000971700000000 ] - [ -0.0011092900000000, -0.0000710300000000, -0.0013635800000000 ] - [ 0.0011198100000000, 0.0007560100000000, -0.0007071600000000 ] - [ 0.0010365900000000, 0.0008898200000000, -0.0017502800000000 ] - [ 0.0011877200000000, 0.0007807600000000, -0.0013399000000000 ] - [ 0.0005799700000000, 0.0003855300000000, -0.0003223300000000 ] - [ -0.0006563800000000, -0.0004737400000000, 0.0029614500000000 ] - [ 0.0006529700000000, -0.0001391300000000, -0.0000297900000000 ] - [ 0.0003892400000000, -0.0014420400000000, -0.0022403800000000 ] - [ 0.0006120600000000, 0.0004269800000000, -0.0011733900000000 ] - [ 0.0035505800000000, -0.0001313900000000, 0.0001593600000000 ] - [ -0.0045290200000000, -0.0026065500000000, -0.0020052000000000 ] - [ -0.0000027100000000, 0.0001746700000000, -0.0007301900000000 ] - [ 0.0010278800000000, -0.0005076500000000, -0.0015937400000000 ] - [ 0.0010308500000000, 0.0002379700000000, -0.0012116600000000 ] - [ 0.0011723100000000, -0.0002974800000000, -0.0005984600000000 ] - [ 0.0006316200000000, -0.0001198700000000, -0.0003557300000000 ] - [ 0.0010945500000000, -0.0002351900000000, -0.0006198500000000 ]- atom: 27 displacement: [ 0.0057565208649526, 0.0000000000000000, -0.0081769473235044 ] forces: - [ -0.0026925900000000, 0.0011579600000000, -0.0006931000000000 ] - [ -0.0029610400000000, -0.0000072500000000, -0.0043443600000000 ] - [ -0.0018868400000000, 0.0004710700000000, -0.0009553600000000 ] - [ 0.0012114400000000, -0.0001119800000000, -0.0026849400000000 ] - [ -0.0097715400000000, 0.0044115200000000, 0.0029397000000000 ] - [ -0.0096164600000000, 0.0047652200000000, -0.0146236200000000 ] - [ -0.0026059800000000, -0.0007788200000000, 0.0011824800000000 ] - [ 0.0014467400000000, 0.0000152000000000, 0.0003915500000000 ] - [ 0.0018281500000000, 0.0004349300000000, -0.0026001600000000 ] - [ -0.0001601200000000, -0.0003373300000000, -0.0027637000000000 ] - [ 0.0038267700000000, 0.0006478100000000, -0.0053307200000000 ] - [ -0.0041923800000000, -0.0001507600000000, -0.0023586800000000 ] - [ 0.0019812200000000, -0.0002921400000000, -0.0008055600000000 ] - [ 0.0007790700000000, 0.0002862200000000, -0.0000150200000000 ] - [ 0.0054997200000000, -0.0004503600000000, -0.0013897400000000 ] - [ 0.0141328200000000, 0.0044341100000000, 0.0153030500000000 ] - [ 0.0007536300000000, -0.0012748800000000, 0.0018828600000000 ] - [ -0.0002723800000000, -0.0001310700000000, -0.0000697200000000 ] - [ 0.0003863600000000, -0.0000350900000000, 0.0001169300000000 ] - [ 0.0007398300000000, 0.0007691100000000, -0.0018008400000000 ] - [ -0.0169734000000000, 0.0054909700000000, 0.0002217500000000 ] - [ 0.0016996900000000, -0.0007328800000000, -0.0052167500000000 ] - [ 0.0008912200000000, 0.0004053200000000, 0.0036880100000000 ] - [ 0.0001480800000000, 0.0000785900000000, 0.0002753000000000 ] - [ 0.0002976000000000, 0.0005882700000000, -0.0008807300000000 ] - [ -0.0020891400000000, -0.0010810200000000, -0.0016140200000000 ] - [ -0.1582033500000000, -0.0203338100000000, 0.2390806400000000 ] - [ 0.0047398900000000, 0.0002113700000000, -0.0000894200000000 ] - [ -0.0007845900000000, 0.0004065700000000, -0.0020570600000000 ] - [ -0.0020389800000000, -0.0002315500000000, -0.0004335700000000 ] - [ 0.0018175000000000, -0.0008740200000000, 0.0000285500000000 ] - [ -0.0016351200000000, -0.0000759700000000, -0.0013474400000000 ] - [ 0.0041944400000000, 0.0003003900000000, 0.0017985800000000 ] - [ 0.0084050600000000, -0.0033757400000000, -0.0125501900000000 ] - [ -0.0015035400000000, -0.0081783600000000, -0.0139526300000000 ] - [ 0.0027682900000000, -0.0000956800000000, -0.0039667800000000 ] - [ 0.0010623000000000, -0.0003384100000000, -0.0001271600000000 ] - [ -0.0010156800000000, 0.0001957800000000, 0.0023769000000000 ] - [ -0.0010258700000000, 0.0005078600000000, -0.0047145600000000 ] - [ 0.0021617500000000, 0.0000878700000000, -0.0028329500000000 ] - [ 0.0002981600000000, 0.0000946100000000, 0.0000075900000000 ] - [ -0.0018766000000000, -0.0000115200000000, 0.0003665700000000 ] - [ -0.0000300900000000, -0.0004804200000000, -0.0000758300000000 ] - [ 0.0002248200000000, -0.0004354100000000, -0.0015770300000000 ] - [ -0.0002360700000000, -0.0002478900000000, 0.0003279400000000 ] - [ 0.0011545800000000, 0.0022369400000000, -0.0071399500000000 ] - [ -0.0015532700000000, -0.0000012400000000, 0.0021257600000000 ] - [ -0.0000729400000000, -0.0004504300000000, -0.0000469400000000 ] - [ 0.0017913000000000, 0.0011086700000000, -0.0030669900000000 ] - [ -0.0000284600000000, -0.0003127100000000, -0.0005937900000000 ] - [ -0.0011222000000000, -0.0002015500000000, 0.0026932800000000 ] - [ -0.0002217700000000, 0.0001228200000000, 0.0002531300000000 ] - [ 0.0046482400000000, -0.0001183900000000, 0.0006475000000000 ] - [ -0.0010509600000000, 0.0004049100000000, 0.0041169900000000 ] - [ 0.0011995900000000, 0.0000735500000000, 0.0009467400000000 ] - [ -0.0015452400000000, 0.0005861600000000, -0.0003527300000000 ] - [ 0.0058592500000000, -0.0023997200000000, 0.0025376200000000 ] - [ 0.0002901100000000, 0.0000465700000000, 0.0004854700000000 ] - [ -0.0000230600000000, -0.0006895900000000, -0.0009454700000000 ] - [ 0.0015536600000000, 0.0002329000000000, -0.0022263800000000 ] - [ -0.0001346700000000, -0.0002421600000000, 0.0009309400000000 ] - [ 0.0008259400000000, 0.0000222900000000, 0.0008406800000000 ] - [ -0.0000776700000000, 0.0000721700000000, 0.0013600000000000 ] - [ 0.0000076400000000, 0.0003502200000000, 0.0011667500000000 ] - [ -0.0036093900000000, 0.0003805400000000, 0.0024297900000000 ] - [ 0.0001109200000000, -0.0005842800000000, 0.0013445000000000 ] - [ 0.0018587600000000, 0.0011361400000000, 0.0001830800000000 ] - [ 0.0007832000000000, 0.0002152400000000, 0.0003143200000000 ] - [ 0.0009095400000000, -0.0002713300000000, 0.0011011200000000 ] - [ 0.0817892200000000, 0.0803911800000000, -0.1034308500000000 ] - [ -0.0017101500000000, -0.0005518300000000, -0.0007026400000000 ] - [ 0.0616252500000000, -0.0321265300000000, -0.0176214400000000 ] - [ 0.0005270600000000, 0.0003012000000000, 0.0008847100000000 ] - [ 0.0042697300000000, 0.0004294100000000, -0.0002975700000000 ] - [ -0.0002237200000000, 0.0002639900000000, -0.0009847700000000 ] - [ -0.0007234600000000, -0.0004460800000000, 0.0002747000000000 ] - [ 0.0011244700000000, -0.0001914700000000, 0.0023998600000000 ] - [ 0.0009050700000000, -0.0000839500000000, 0.0004304400000000 ] - [ 0.0019701800000000, -0.0002069800000000, -0.0009659800000000 ] - [ 0.0132600400000000, 0.0094370400000000, 0.0001240100000000 ] - [ 0.0046801100000000, -0.0497150600000000, -0.0955722300000000 ] - [ 0.0019927800000000, 0.0002649000000000, 0.0014790400000000 ] - [ -0.0003312000000000, 0.0005179200000000, 0.0007129100000000 ] - [ 0.0003349200000000, 0.0003310100000000, -0.0000270700000000 ] - [ -0.0018863800000000, 0.0009404100000000, 0.0026864400000000 ] - [ 0.0005994200000000, -0.0010596100000000, -0.0030832100000000 ] - [ -0.0020379300000000, -0.0001737100000000, -0.0002314800000000 ] - [ -0.0042459900000000, 0.0019027200000000, 0.0051204100000000 ] - [ -0.0024296700000000, -0.0008823800000000, -0.0005988700000000 ] - [ -0.0015485000000000, 0.0003866600000000, 0.0014467800000000 ] - [ 0.0031239300000000, -0.0008600000000000, 0.0029849400000000 ] - [ -0.0017739600000000, -0.0000626000000000, 0.0024545200000000 ] - [ 0.0006219300000000, 0.0004111700000000, 0.0014733800000000 ] - [ -0.0011599700000000, 0.0001843600000000, 0.0024789500000000 ] - [ 0.0002836600000000, -0.0000345600000000, -0.0000798500000000 ] - [ 0.0007366900000000, -0.0008066100000000, 0.0013506800000000 ] - [ -0.0011030000000000, -0.0004763000000000, 0.0008691000000000 ] - [ -0.0015533200000000, -0.0003130200000000, 0.0018487000000000 ] - [ -0.0015355600000000, -0.0009108500000000, 0.0020538900000000 ] - [ -0.0001810400000000, 0.0000660900000000, -0.0001014400000000 ] - [ 0.0000995600000000, 0.0000067900000000, -0.0031932700000000 ] - [ -0.0006926700000000, 0.0004287000000000, -0.0001332300000000 ] - [ -0.0013021100000000, 0.0014367900000000, 0.0022225400000000 ] - [ -0.0006298100000000, 0.0000417400000000, 0.0001957600000000 ] - [ -0.0036785000000000, 0.0003357200000000, -0.0001645500000000 ] - [ 0.0040819100000000, 0.0024728800000000, 0.0016426700000000 ] - [ 0.0003855600000000, 0.0000576400000000, 0.0001876000000000 ] - [ -0.0014413000000000, 0.0009647900000000, 0.0020217200000000 ] - [ -0.0017597400000000, -0.0004211700000000, 0.0013807800000000 ] - [ -0.0004666200000000, 0.0001180400000000, 0.0004352200000000 ] - [ -0.0002891900000000, -0.0000088900000000, -0.0003534900000000 ] - [ -0.0009836200000000, 0.0002243500000000, 0.0011599900000000 ]- atom: 41 displacement: [ 0.0099999987502926, 0.0000000000000000, -0.0000049994145799 ] forces: - [ 0.0010705300000000, 0.0007726600000000, -0.0024285300000000 ] - [ -0.0011342800000000, -0.0004123100000000, -0.0023585900000000 ] - [ 0.0076644300000000, 0.0006658600000000, -0.0007526400000000 ] - [ -0.0020617500000000, -0.0002008100000000, 0.0005180300000000 ] - [ -0.0010547700000000, 0.0000225000000000, -0.0022350400000000 ] - [ -0.0001334600000000, 0.0002151700000000, -0.0003230900000000 ] - [ 0.0023285000000000, -0.0001903000000000, 0.0010525400000000 ] - [ -0.0001191500000000, -0.0001409000000000, 0.0010035500000000 ] - [ -0.0005104500000000, 0.0003515400000000, 0.0003123500000000 ] - [ -0.0014115600000000, -0.0001002500000000, 0.0003399300000000 ] - [ -0.0010388300000000, 0.0004368200000000, -0.0007598400000000 ] - [ -0.0033897000000000, -0.0001873700000000, -0.0003314000000000 ] - [ -0.0011272200000000, -0.0000752400000000, 0.0007135100000000 ] - [ -0.0003522600000000, 0.0004217600000000, 0.0019084900000000 ] - [ -0.0003307500000000, -0.0001012900000000, -0.0000213800000000 ] - [ -0.0001443900000000, 0.0000777900000000, -0.0013349500000000 ] - [ 0.0001978000000000, -0.0001370700000000, -0.0000539400000000 ] - [ -0.0014359200000000, -0.0024608100000000, -0.0041944300000000 ] - [ 0.0006288400000000, -0.0005681800000000, 0.0003729200000000 ] - [ -0.0003907700000000, -0.0001965900000000, -0.0001006700000000 ] - [ 0.0000602400000000, -0.0006991800000000, -0.0003598800000000 ] - [ -0.0015112000000000, -0.0000375900000000, -0.0011024800000000 ] - [ 0.0007103600000000, 0.0002527000000000, 0.0006261300000000 ] - [ -0.0002535500000000, -0.0001565800000000, 0.0020717500000000 ] - [ -0.0021467400000000, 0.0005218500000000, 0.0027560200000000 ] - [ 0.0085420800000000, 0.0008239200000000, -0.0042920400000000 ] - [ -0.0003311400000000, -0.0003360600000000, -0.0010426500000000 ] - [ -0.0001766500000000, 0.0005710100000000, 0.0003020000000000 ] - [ -0.0038288400000000, 0.0001889800000000, -0.0020143600000000 ] - [ 0.0004308000000000, -0.0007127000000000, -0.0006502000000000 ] - [ -0.0000725600000000, -0.0005858300000000, 0.0008625500000000 ] - [ -0.0017130200000000, 0.0001619400000000, 0.0012982700000000 ] - [ 0.0004317900000000, 0.0000473200000000, 0.0001534200000000 ] - [ -0.0001947500000000, 0.0001466300000000, -0.0004409700000000 ] - [ -0.0014660700000000, 0.0002397500000000, -0.0006766000000000 ] - [ -0.0009738000000000, -0.0007351800000000, -0.0004625000000000 ] - [ 0.0003733000000000, 0.0000659400000000, 0.0017142500000000 ] - [ 0.0026719000000000, 0.0007450000000000, -0.0026334400000000 ] - [ -0.0016008500000000, 0.0001730200000000, -0.0004842500000000 ] - [ -0.0012401000000000, -0.0002090500000000, -0.0001586200000000 ] - [ -0.0258369000000000, 0.0055140800000000, 0.0168632800000000 ] - [ 0.0000953600000000, -0.0004352500000000, 0.0001593900000000 ] - [ 0.0021497800000000, 0.0011330800000000, -0.0037499400000000 ] - [ 0.0002859600000000, -0.0001861300000000, 0.0000765700000000 ] - [ 0.0060629700000000, -0.0057209900000000, -0.0010757300000000 ] - [ 0.0002257800000000, 0.0000813400000000, 0.0003042000000000 ] - [ 0.0001634600000000, 0.0000875100000000, -0.0001239000000000 ] - [ -0.0003487200000000, -0.0003071100000000, 0.0003112500000000 ] - [ 0.0003453400000000, -0.0003269400000000, -0.0000430700000000 ] - [ -0.0003041600000000, -0.0003946900000000, 0.0005721600000000 ] - [ 0.0001360000000000, -0.0003078300000000, -0.0001704000000000 ] - [ 0.0000620500000000, 0.0001222700000000, -0.0002500000000000 ] - [ 0.0002127000000000, 0.0004092300000000, 0.0006896500000000 ] - [ 0.0005616300000000, 0.0003932900000000, -0.0000695900000000 ] - [ -0.0032595900000000, 0.0018149500000000, 0.0002301100000000 ] - [ 0.0005711700000000, -0.0003005200000000, -0.0000283900000000 ] - [ -0.0006936800000000, -0.0002141400000000, -0.0000828200000000 ] - [ 0.0000153900000000, 0.0011039000000000, -0.0016355100000000 ] - [ -0.0000870000000000, -0.0005088500000000, -0.0004083100000000 ] - [ -0.0000818300000000, 0.0002315900000000, 0.0003232000000000 ] - [ 0.0012804200000000, -0.0001985900000000, -0.0009639400000000 ] - [ -0.0000695300000000, -0.0014239400000000, -0.0016002600000000 ] - [ 0.0013928200000000, 0.0009251200000000, 0.0008118600000000 ] - [ 0.0005193400000000, 0.0005562100000000, 0.0017262300000000 ] - [ 0.0006630400000000, -0.0002304000000000, 0.0004957900000000 ] - [ 0.0009882100000000, -0.0012693800000000, 0.0010477900000000 ] - [ 0.0043495500000000, 0.0022886600000000, 0.0006058400000000 ] - [ -0.0033193900000000, -0.0014484500000000, 0.0020509100000000 ] - [ -0.0017784800000000, -0.0024612200000000, -0.0032471900000000 ] - [ 0.0003869300000000, 0.0001403800000000, 0.0002629900000000 ] - [ 0.0000063600000000, -0.0001476800000000, -0.0003743800000000 ] - [ 0.0004718400000000, 0.0000905000000000, 0.0005118000000000 ] - [ 0.0005545800000000, -0.0008018500000000, -0.0005201900000000 ] - [ -0.0000815600000000, 0.0002188800000000, 0.0001023400000000 ] - [ -0.0002148400000000, 0.0001241500000000, -0.0003616900000000 ] - [ 0.0004006800000000, 0.0002753300000000, -0.0004852600000000 ] - [ 0.0007631700000000, 0.0001136700000000, 0.0004262900000000 ] - [ 0.0061932900000000, 0.0025528100000000, -0.0002133200000000 ] - [ -0.0005946700000000, -0.0011082400000000, 0.0023530700000000 ] - [ 0.0005943200000000, -0.0000558200000000, 0.0006017200000000 ] - [ 0.0003897100000000, 0.0002136200000000, 0.0002987900000000 ] - [ -0.0005746300000000, -0.0008648200000000, 0.0012619300000000 ] - [ 0.0004189000000000, 0.0002480600000000, -0.0003805400000000 ] - [ 0.0010629800000000, 0.0004685600000000, -0.0016719600000000 ] - [ 0.0003901300000000, 0.0000736800000000, 0.0004602600000000 ] - [ 0.0001175300000000, 0.0000290000000000, 0.0008491300000000 ] - [ 0.0001533400000000, 0.0000736600000000, -0.0002972900000000 ] - [ 0.0000312700000000, 0.0001544700000000, 0.0007946300000000 ] - [ 0.0002941500000000, -0.0004375500000000, 0.0002346300000000 ] - [ 0.0004964100000000, 0.0000557100000000, -0.0000908400000000 ] - [ 0.0009901400000000, -0.0002641500000000, 0.0006342700000000 ] - [ 0.0004609300000000, -0.0000538000000000, 0.0007209200000000 ] - [ 0.0011461100000000, 0.0004022400000000, -0.0003186500000000 ] - [ 0.0002071700000000, 0.0001317200000000, -0.0004297900000000 ] - [ 0.0005502500000000, 0.0005038600000000, -0.0008928400000000 ] - [ 0.0006168800000000, -0.0006307400000000, -0.0001179600000000 ] - [ 0.0007393800000000, 0.0004847400000000, 0.0000970000000000 ] - [ 0.0001055000000000, 0.0003524000000000, 0.0000423800000000 ] - [ 0.0003662900000000, -0.0001492200000000, 0.0006284000000000 ] - [ 0.0004001800000000, 0.0005753900000000, -0.0011185500000000 ] - [ -0.0004639400000000, -0.0001601200000000, 0.0006444200000000 ] - [ -0.0000138300000000, 0.0000252600000000, -0.0005758400000000 ] - [ 0.0002964600000000, 0.0001149400000000, 0.0003537900000000 ] - [ 0.0002644200000000, 0.0002728100000000, -0.0008607600000000 ] - [ -0.0000531200000000, 0.0001031700000000, 0.0002622400000000 ] - [ 0.0007633200000000, 0.0002839300000000, 0.0006430200000000 ] - [ 0.0004024400000000, 0.0000602300000000, -0.0009058100000000 ] - [ 0.0003573800000000, 0.0000890500000000, 0.0002581400000000 ] - [ 0.0002898800000000, -0.0000522400000000, -0.0002132900000000 ] - [ 0.0011432300000000, -0.0005828200000000, -0.0012744600000000 ] - [ 0.0001261600000000, -0.0005694400000000, -0.0013474300000000 ] - [ 0.0007771400000000, 0.0000605600000000, 0.0003963000000000 ]- atom: 41 displacement: [ -0.0099999987502926, 0.0000000000000000, 0.0000049994145799 ] forces: - [ -0.0010906100000000, 0.0000955200000000, 0.0024187400000000 ] - [ 0.0006037000000000, 0.0002743000000000, 0.0016640400000000 ] - [ -0.0076820000000000, -0.0001230900000000, -0.0007195600000000 ] - [ 0.0018336800000000, 0.0002712000000000, -0.0001017400000000 ] - [ 0.0010560800000000, -0.0004690000000000, 0.0022211300000000 ] - [ 0.0003668500000000, 0.0003857100000000, 0.0015498600000000 ] - [ -0.0017905100000000, 0.0000467900000000, -0.0003601100000000 ] - [ 0.0003524900000000, 0.0002081700000000, -0.0014275900000000 ] - [ 0.0005091600000000, 0.0005157800000000, -0.0003068000000000 ] - [ 0.0008865000000000, -0.0000432500000000, -0.0010388400000000 ] - [ 0.0008044800000000, 0.0001633600000000, -0.0004641000000000 ] - [ 0.0031419300000000, 0.0002563300000000, 0.0007486800000000 ] - [ 0.0011259500000000, -0.0003747000000000, -0.0007166500000000 ] - [ 0.0005826600000000, 0.0001792400000000, -0.0006753400000000 ] - [ 0.0008540800000000, -0.0000422800000000, 0.0007309400000000 ] - [ 0.0003827100000000, -0.0000101300000000, 0.0009105300000000 ] - [ 0.0002988900000000, -0.0002711800000000, 0.0001606100000000 ] - [ 0.0009341000000000, 0.0020914200000000, 0.0042548700000000 ] - [ -0.0001360900000000, 0.0001639500000000, -0.0002610900000000 ] - [ -0.0001050100000000, -0.0002796400000000, -0.0000086100000000 ] - [ -0.0002586800000000, -0.0004773600000000, 0.0011122800000000 ] - [ 0.0008922800000000, 0.0000866900000000, 0.0005376200000000 ] - [ -0.0000120600000000, -0.0000490000000000, 0.0003873600000000 ] - [ 0.0008756700000000, 0.0002047900000000, -0.0014951200000000 ] - [ 0.0010593900000000, 0.0006291400000000, -0.0027279100000000 ] - [ -0.0083657100000000, -0.0020101800000000, 0.0035127800000000 ] - [ 0.0009953400000000, -0.0001371900000000, 0.0009835500000000 ] - [ 0.0012477300000000, 0.0005762600000000, -0.0003422600000000 ] - [ 0.0031422600000000, 0.0000180000000000, 0.0010215500000000 ] - [ -0.0010186700000000, 0.0003028800000000, 0.0007420300000000 ] - [ -0.0001216300000000, -0.0005913800000000, -0.0001009800000000 ] - [ 0.0010867700000000, -0.0001157700000000, -0.0018585500000000 ] - [ 0.0002694000000000, 0.0001576400000000, 0.0008685700000000 ] - [ 0.0008198200000000, -0.0000983600000000, 0.0010133700000000 ] - [ 0.0003936200000000, 0.0009056500000000, 0.0007110800000000 ] - [ 0.0011657500000000, -0.0004427400000000, -0.0002909400000000 ] - [ 0.0002862000000000, -0.0005383900000000, -0.0017676100000000 ] - [ -0.0015778700000000, 0.0003998600000000, 0.0025865200000000 ] - [ 0.0008983300000000, 0.0000302100000000, -0.0005315700000000 ] - [ 0.0005756500000000, -0.0002636000000000, 0.0002136500000000 ] - [ 0.0252247700000000, -0.0055564100000000, -0.0169454000000000 ] - [ -0.0003340800000000, -0.0003583000000000, 0.0001497300000000 ] - [ -0.0019003100000000, -0.0019486900000000, 0.0034748300000000 ] - [ 0.0001245800000000, -0.0002450100000000, 0.0002450200000000 ] - [ -0.0065238800000000, 0.0053656300000000, 0.0007732900000000 ] - [ 0.0000832700000000, 0.0000714100000000, -0.0001451800000000 ] - [ -0.0004719300000000, 0.0000663900000000, -0.0000360800000000 ] - [ 0.0000858400000000, -0.0004987700000000, -0.0000215100000000 ] - [ -0.0001049200000000, -0.0004697100000000, -0.0002619000000000 ] - [ 0.0006975900000000, -0.0000492800000000, -0.0002652400000000 ] - [ -0.0005458600000000, -0.0001231400000000, -0.0001503100000000 ] - [ 0.0002555700000000, 0.0000386500000000, 0.0003886000000000 ] - [ 0.0003100900000000, 0.0001706000000000, -0.0007745400000000 ] - [ -0.0001245100000000, 0.0000061300000000, -0.0011367400000000 ] - [ 0.0032576800000000, -0.0013626700000000, 0.0007913300000000 ] - [ -0.0000777300000000, 0.0001616900000000, 0.0003542100000000 ] - [ 0.0005966200000000, 0.0001990000000000, -0.0004433700000000 ] - [ -0.0004543700000000, -0.0006948800000000, 0.0028279900000000 ] - [ 0.0004692400000000, -0.0003657300000000, 0.0004258000000000 ] - [ 0.0008874000000000, 0.0000152400000000, -0.0006046900000000 ] - [ -0.0007401600000000, -0.0002744200000000, 0.0012087700000000 ] - [ -0.0003112100000000, 0.0016431600000000, 0.0021320900000000 ] - [ -0.0012866300000000, -0.0007589400000000, -0.0007859700000000 ] - [ -0.0013271500000000, -0.0003152800000000, -0.0014573200000000 ] - [ 0.0002380800000000, 0.0002200800000000, -0.0004726000000000 ] - [ -0.0013769900000000, 0.0004078400000000, -0.0010764800000000 ] - [ -0.0042742500000000, -0.0019830800000000, -0.0004424100000000 ] - [ 0.0027845400000000, 0.0020233600000000, -0.0019338400000000 ] - [ 0.0014210500000000, 0.0023145000000000, 0.0039162900000000 ] - [ 0.0000135400000000, 0.0003116300000000, -0.0006814800000000 ] - [ -0.0005466400000000, -0.0003188900000000, 0.0001466900000000 ] - [ -0.0005047700000000, 0.0001943500000000, -0.0006698900000000 ] - [ -0.0014564700000000, 0.0007892500000000, 0.0004930200000000 ] - [ 0.0000691300000000, 0.0002515900000000, -0.0010843900000000 ] - [ 0.0000932700000000, 0.0000575300000000, 0.0003246900000000 ] - [ -0.0008883700000000, -0.0004141700000000, 0.0001639500000000 ] - [ -0.0003844200000000, 0.0001185200000000, -0.0009715200000000 ] - [ -0.0064685900000000, -0.0020536400000000, 0.0006137100000000 ] - [ -0.0001293900000000, 0.0009248000000000, -0.0021755400000000 ] - [ 0.0001197400000000, -0.0001237600000000, -0.0007669900000000 ] - [ -0.0000430700000000, -0.0003445100000000, -0.0009993500000000 ] - [ 0.0006905400000000, 0.0008716900000000, -0.0007312300000000 ] - [ 0.0001010900000000, 0.0003301900000000, 0.0002933400000000 ] - [ -0.0006222800000000, -0.0000672800000000, 0.0004629800000000 ] - [ -0.0003744400000000, 0.0003974600000000, 0.0005207900000000 ] - [ 0.0003692700000000, -0.0001666800000000, -0.0005231300000000 ] - [ -0.0002555400000000, -0.0000868800000000, -0.0002361000000000 ] - [ -0.0004692000000000, 0.0002453000000000, 0.0004074100000000 ] - [ 0.0000875500000000, -0.0004385200000000, -0.0002194900000000 ] - [ 0.0003111300000000, 0.0001920200000000, -0.0002004800000000 ] - [ -0.0004478400000000, -0.0002018900000000, -0.0004016600000000 ] - [ -0.0008424800000000, 0.0002869500000000, -0.0001795700000000 ] - [ -0.0010199300000000, -0.0002183300000000, 0.0003552900000000 ] - [ -0.0010117400000000, 0.0001161100000000, 0.0007146800000000 ] - [ 0.0003520000000000, -0.0005130400000000, 0.0009141600000000 ] - [ -0.0009979200000000, -0.0002440500000000, 0.0000994900000000 ] - [ -0.0007068300000000, -0.0002017800000000, 0.0000641600000000 ] - [ -0.0006243400000000, 0.0002273400000000, 0.0000407200000000 ] - [ -0.0007119100000000, 0.0000181400000000, 0.0000737300000000 ] - [ 0.0000021300000000, -0.0001221600000000, 0.0006974900000000 ] - [ -0.0000813300000000, -0.0003054600000000, -0.0008721000000000 ] - [ -0.0000165300000000, 0.0002579300000000, 0.0004168300000000 ] - [ -0.0012014000000000, -0.0001269000000000, -0.0003789400000000 ] - [ -0.0002787700000000, 0.0001990300000000, -0.0001249200000000 ] - [ -0.0000689000000000, 0.0000807800000000, -0.0003027800000000 ] - [ -0.0012528300000000, -0.0004220300000000, -0.0009633000000000 ] - [ -0.0000230800000000, 0.0001719100000000, 0.0003592800000000 ] - [ -0.0007590500000000, 0.0003642000000000, 0.0001614300000000 ] - [ -0.0010062600000000, -0.0001279800000000, 0.0003847400000000 ] - [ -0.0004254700000000, 0.0004035500000000, 0.0011081900000000 ] - [ 0.0002201000000000, 0.0004376000000000, 0.0006433000000000 ] - [ -0.0006746600000000, -0.0000749700000000, 0.0001340500000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003924500000000, 0.0002944400000000, -0.0004881000000000 ] - [ 0.0003146000000000, -0.0003465900000000, -0.0005776800000000 ] - [ 0.0010654400000000, 0.0011253600000000, -0.0030992800000000 ] - [ -0.0001693700000000, 0.0000180200000000, 0.0002746100000000 ] - [ -0.0001286200000000, 0.0000273000000000, -0.0006833400000000 ] - [ 0.0002308100000000, 0.0003007700000000, 0.0005499100000000 ] - [ -0.0006173300000000, 0.0002781100000000, 0.0006826100000000 ] - [ -0.0001015700000000, 0.0000685600000000, -0.0002499500000000 ] - [ 0.0000400400000000, 0.0004197600000000, 0.0000445800000000 ] - [ -0.0000808100000000, -0.0000325200000000, -0.0001921300000000 ] - [ -0.0001499700000000, 0.0003119800000000, -0.0006176000000000 ] - [ -0.0001074500000000, -0.0004583900000000, 0.0008950400000000 ] - [ -0.0001562100000000, -0.0002559900000000, 0.0000155800000000 ] - [ 0.0002344100000000, 0.0002985400000000, 0.0005580500000000 ] - [ 0.0002978000000000, -0.0000732900000000, 0.0003345400000000 ] - [ 0.0002232600000000, 0.0000008100000000, -0.0002347500000000 ] - [ 0.0002422000000000, -0.0001976300000000, 0.0000560700000000 ] - [ -0.0025092800000000, 0.0040800600000000, 0.0087276700000000 ] - [ 0.0003620100000000, -0.0003501500000000, 0.0001651600000000 ] - [ -0.0002517400000000, -0.0002381900000000, -0.0000337500000000 ] - [ 0.0000487600000000, -0.0006239300000000, 0.0005097400000000 ] - [ -0.0003670400000000, 0.0000128300000000, -0.0003904800000000 ] - [ 0.0000815600000000, 0.0000395700000000, 0.0006222300000000 ] - [ 0.0005284000000000, -0.0000591700000000, -0.0000937200000000 ] - [ -0.0005568800000000, 0.0004516100000000, -0.0007322200000000 ] - [ -0.0026263700000000, 0.0019122600000000, 0.0007277900000000 ] - [ 0.0003449200000000, -0.0002263000000000, -0.0000496200000000 ] - [ 0.0004378900000000, 0.0005877600000000, 0.0000550900000000 ] - [ -0.0017135900000000, -0.0001529400000000, -0.0008022500000000 ] - [ 0.0014568500000000, 0.0010737400000000, 0.0039272000000000 ] - [ -0.0000022400000000, -0.0005993800000000, 0.0003953000000000 ] - [ 0.0002601500000000, -0.0000243200000000, -0.0004041400000000 ] - [ 0.0003509200000000, 0.0000955600000000, 0.0004642300000000 ] - [ 0.0003577000000000, 0.0000427000000000, 0.0002283600000000 ] - [ -0.0006288700000000, 0.0004906900000000, 0.0000109900000000 ] - [ 0.0000912600000000, -0.0005881000000000, -0.0003309000000000 ] - [ 0.0002806300000000, -0.0002239600000000, 0.0000359600000000 ] - [ 0.0013376600000000, 0.0006921800000000, 0.0004005900000000 ] - [ -0.0004394200000000, 0.0000660800000000, -0.0004010300000000 ] - [ -0.0003888600000000, -0.0002473600000000, 0.0000481000000000 ] - [ 0.0054182800000000, -0.0240583600000000, -0.0097385800000000 ] - [ -0.0001058500000000, -0.0004011800000000, 0.0001388100000000 ] - [ 0.0003201600000000, -0.0001635500000000, -0.0003126200000000 ] - [ 0.0002298700000000, -0.0002163500000000, 0.0001137600000000 ] - [ -0.0055959900000000, 0.0038844800000000, 0.0002420600000000 ] - [ 0.0001438000000000, 0.0000759300000000, 0.0000573800000000 ] - [ -0.0001361100000000, 0.0000759700000000, -0.0000950200000000 ] - [ -0.0000852800000000, 0.0012536800000000, 0.0028086400000000 ] - [ 0.0001529100000000, -0.0003798000000000, -0.0001550600000000 ] - [ 0.0002816100000000, -0.0000681500000000, 0.0001237000000000 ] - [ -0.0001722200000000, -0.0002204000000000, -0.0002063700000000 ] - [ 0.0001017600000000, 0.0000895900000000, 0.0000818600000000 ] - [ 0.0001282500000000, 0.0003180400000000, -0.0000412200000000 ] - [ 0.0001965700000000, 0.0001878900000000, -0.0005198100000000 ] - [ 0.0004477200000000, 0.0002640700000000, -0.0004610900000000 ] - [ 0.0003119000000000, -0.0000924100000000, 0.0001649600000000 ] - [ -0.0000837500000000, 0.0000620600000000, -0.0004474900000000 ] - [ -0.0003814100000000, -0.0003604200000000, 0.0016224700000000 ] - [ 0.0003650400000000, -0.0003752000000000, 0.0000776100000000 ] - [ 0.0005686800000000, 0.0001995600000000, -0.0007002200000000 ] - [ 0.0001636400000000, 0.0000656100000000, 0.0002048400000000 ] - [ -0.0001114300000000, 0.0005848900000000, 0.0006997700000000 ] - [ 0.0002506100000000, 0.0005132000000000, 0.0002244900000000 ] - [ 0.0000495200000000, 0.0002714700000000, 0.0007741700000000 ] - [ 0.0004184400000000, -0.0000221300000000, 0.0000313400000000 ] - [ -0.0001406300000000, -0.0006729500000000, 0.0002374200000000 ] - [ 0.0029862100000000, 0.0019546400000000, -0.0003311100000000 ] - [ 0.0019919500000000, 0.0049040400000000, -0.0031370900000000 ] - [ -0.0036221900000000, 0.0056263200000000, 0.0007396900000000 ] - [ 0.0001734000000000, 0.0002150400000000, -0.0001919300000000 ] - [ -0.0002017800000000, -0.0002732300000000, -0.0001766100000000 ] - [ -0.0000372800000000, 0.0001702700000000, -0.0000309200000000 ] - [ -0.0010719500000000, 0.0001626300000000, -0.0004122500000000 ] - [ -0.0001281800000000, 0.0002735600000000, -0.0005383700000000 ] - [ 0.0000921600000000, 0.0000645500000000, -0.0000725500000000 ] - [ -0.0001358500000000, -0.0000375500000000, -0.0000555300000000 ] - [ 0.0001559500000000, 0.0001237900000000, -0.0002352200000000 ] - [ -0.0000096700000000, -0.0005212900000000, -0.0004292200000000 ] - [ -0.0004145400000000, -0.0008598000000000, 0.0003878700000000 ] - [ 0.0003489100000000, -0.0001115700000000, -0.0000171600000000 ] - [ 0.0001199100000000, -0.0000504200000000, -0.0003582500000000 ] - [ -0.0007064300000000, -0.0016358300000000, -0.0003659700000000 ] - [ 0.0002173700000000, 0.0002863200000000, -0.0000638800000000 ] - [ 0.0000803200000000, 0.0001273800000000, -0.0005078600000000 ] - [ 0.0000034200000000, 0.0002282400000000, 0.0004767200000000 ] - [ 0.0000247400000000, 0.0000807400000000, 0.0002256900000000 ] - [ -0.0001081300000000, 0.0000062100000000, -0.0002950000000000 ] - [ -0.0002373600000000, 0.0002084800000000, 0.0006329600000000 ] - [ 0.0001788400000000, -0.0004311400000000, 0.0000295600000000 ] - [ 0.0003778200000000, 0.0001248300000000, -0.0001168300000000 ] - [ 0.0003354400000000, -0.0002450900000000, 0.0001274500000000 ] - [ -0.0001701700000000, 0.0001008100000000, 0.0003015300000000 ] - [ 0.0001556800000000, 0.0001475400000000, -0.0001684000000000 ] - [ -0.0003846400000000, 0.0001136300000000, 0.0000691200000000 ] - [ 0.0004349900000000, -0.0000938400000000, 0.0001840200000000 ] - [ -0.0002268900000000, -0.0004069000000000, -0.0001734900000000 ] - [ 0.0000709300000000, 0.0001748200000000, 0.0000762700000000 ] - [ -0.0002608500000000, 0.0002973100000000, 0.0000291200000000 ] - [ -0.0001549500000000, -0.0000658700000000, 0.0003549700000000 ] - [ 0.0002376600000000, 0.0002572000000000, -0.0002031600000000 ] - [ -0.0005261800000000, -0.0003512500000000, -0.0001830100000000 ] - [ 0.0000560800000000, 0.0001130400000000, -0.0000648400000000 ] - [ -0.0003932400000000, 0.0000277500000000, 0.0000312800000000 ] - [ -0.0000629200000000, 0.0002199200000000, -0.0004978800000000 ] - [ -0.0000694300000000, 0.0001000500000000, -0.0000095100000000 ] - [ -0.0000356600000000, 0.0000830500000000, -0.0000455800000000 ] - [ 0.0000811900000000, 0.0001238400000000, -0.0002588900000000 ] - [ -0.0001638300000000, 0.0002141000000000, 0.0002063500000000 ] - [ -0.0002880500000000, -0.0000759800000000, 0.0000299700000000 ] - [ 0.0004208200000000, -0.0000934000000000, -0.0001015700000000 ] - [ 0.0001326500000000, -0.0000764000000000, -0.0003689500000000 ] - [ 0.0000135000000000, -0.0000065800000000, 0.0002342100000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003781900000000, 0.0005604700000000, 0.0004991200000000 ] - [ -0.0008134100000000, 0.0001992000000000, -0.0001299900000000 ] - [ -0.0013207200000000, -0.0005735800000000, 0.0018470700000000 ] - [ -0.0000685000000000, 0.0000498700000000, 0.0001409500000000 ] - [ 0.0001312100000000, -0.0004751500000000, 0.0006726500000000 ] - [ 0.0000109400000000, 0.0002986600000000, 0.0006773400000000 ] - [ 0.0011214300000000, -0.0004105900000000, 0.0000379700000000 ] - [ 0.0003249400000000, -0.0000003700000000, -0.0001664100000000 ] - [ -0.0000403200000000, 0.0004489400000000, -0.0000400100000000 ] - [ -0.0004445400000000, -0.0001113800000000, -0.0005089800000000 ] - [ -0.0000846100000000, 0.0002869800000000, -0.0006074800000000 ] - [ -0.0001274700000000, 0.0005152900000000, -0.0004657900000000 ] - [ 0.0001446000000000, -0.0001948800000000, -0.0000141500000000 ] - [ -0.0000053100000000, 0.0003004200000000, 0.0006753700000000 ] - [ 0.0002272500000000, -0.0000707700000000, 0.0003733300000000 ] - [ 0.0000181400000000, 0.0000665900000000, -0.0001879500000000 ] - [ 0.0002530700000000, -0.0002032500000000, 0.0000385400000000 ] - [ 0.0018755900000000, -0.0045321700000000, -0.0085860900000000 ] - [ 0.0001368800000000, -0.0000569800000000, -0.0000607800000000 ] - [ -0.0002384900000000, -0.0002364200000000, -0.0000628700000000 ] - [ -0.0002358300000000, -0.0005546000000000, 0.0002563800000000 ] - [ -0.0002527300000000, 0.0000357700000000, -0.0001826200000000 ] - [ 0.0006072200000000, 0.0001637000000000, 0.0004031300000000 ] - [ 0.0000868200000000, 0.0001079200000000, 0.0006682900000000 ] - [ -0.0005410600000000, 0.0006905700000000, 0.0007600000000000 ] - [ 0.0027501000000000, -0.0028002100000000, -0.0015038000000000 ] - [ 0.0003242100000000, -0.0002452100000000, -0.0000033300000000 ] - [ 0.0006269400000000, 0.0005588900000000, -0.0000882600000000 ] - [ 0.0010207200000000, 0.0003510700000000, -0.0002423600000000 ] - [ -0.0020477900000000, -0.0014210900000000, -0.0038555000000000 ] - [ -0.0001898000000000, -0.0005780800000000, 0.0003685700000000 ] - [ -0.0008920500000000, 0.0000734800000000, -0.0001600500000000 ] - [ 0.0003497700000000, 0.0001092500000000, 0.0005571800000000 ] - [ 0.0002720300000000, 0.0000064900000000, 0.0003429800000000 ] - [ -0.0004420200000000, 0.0006555100000000, 0.0000260100000000 ] - [ 0.0001010700000000, -0.0005898100000000, -0.0004242300000000 ] - [ 0.0003758500000000, -0.0002470500000000, -0.0000793000000000 ] - [ -0.0002427800000000, 0.0004514400000000, -0.0004396600000000 ] - [ -0.0002595200000000, 0.0001383900000000, -0.0006148000000000 ] - [ -0.0002784300000000, -0.0002256300000000, 0.0000063300000000 ] - [ -0.0056596100000000, 0.0238906100000000, 0.0094675500000000 ] - [ -0.0001451100000000, -0.0003865000000000, 0.0001709900000000 ] - [ -0.0000458000000000, -0.0006153200000000, -0.0000118900000000 ] - [ 0.0001711100000000, -0.0002220900000000, 0.0001943100000000 ] - [ 0.0051230400000000, -0.0042977600000000, -0.0005465900000000 ] - [ 0.0001666500000000, 0.0000776000000000, 0.0000877900000000 ] - [ -0.0001710300000000, 0.0000744900000000, -0.0000596700000000 ] - [ -0.0001570900000000, -0.0020328600000000, -0.0024651700000000 ] - [ 0.0001006400000000, -0.0004174900000000, -0.0001453400000000 ] - [ 0.0001185400000000, -0.0003698400000000, 0.0001882400000000 ] - [ -0.0002319100000000, -0.0002135400000000, -0.0001102900000000 ] - [ 0.0002106700000000, 0.0000650100000000, 0.0000650000000000 ] - [ 0.0003864300000000, 0.0002592900000000, -0.0000496700000000 ] - [ 0.0002366100000000, 0.0002106800000000, -0.0006835000000000 ] - [ -0.0004203100000000, 0.0001517700000000, 0.0014669600000000 ] - [ 0.0001836200000000, -0.0000499300000000, 0.0001579900000000 ] - [ -0.0000190100000000, -0.0000743600000000, -0.0000914800000000 ] - [ -0.0000482400000000, 0.0007580800000000, -0.0004215800000000 ] - [ 0.0000240500000000, -0.0004997000000000, -0.0000640000000000 ] - [ 0.0002420900000000, 0.0000499300000000, 0.0003943700000000 ] - [ 0.0003851600000000, -0.0005330100000000, 0.0000323400000000 ] - [ -0.0002633800000000, -0.0003428600000000, -0.0001513700000000 ] - [ -0.0001324200000000, -0.0003279400000000, -0.0001769800000000 ] - [ -0.0008712500000000, -0.0000175800000000, -0.0004743200000000 ] - [ 0.0004802800000000, 0.0000124400000000, -0.0000100200000000 ] - [ -0.0002448100000000, -0.0002031100000000, -0.0002470000000000 ] - [ -0.0029120600000000, -0.0016463300000000, 0.0004938100000000 ] - [ -0.0024621500000000, -0.0042777900000000, 0.0031152200000000 ] - [ 0.0033515200000000, -0.0058148300000000, -0.0000582200000000 ] - [ 0.0002278700000000, 0.0002393200000000, -0.0002321400000000 ] - [ -0.0003343000000000, -0.0001927800000000, -0.0000551500000000 ] - [ 0.0000049000000000, 0.0001162200000000, -0.0001288100000000 ] - [ 0.0001720700000000, -0.0001717400000000, 0.0003872400000000 ] - [ 0.0001049200000000, 0.0001977700000000, -0.0004505900000000 ] - [ -0.0002067300000000, 0.0001175400000000, 0.0000293600000000 ] - [ -0.0003439800000000, -0.0000981500000000, -0.0002622700000000 ] - [ 0.0002186400000000, 0.0001091200000000, -0.0003088200000000 ] - [ -0.0004256400000000, 0.0009489200000000, 0.0008550600000000 ] - [ -0.0003023300000000, 0.0006646300000000, -0.0002089700000000 ] - [ 0.0003663900000000, -0.0000703500000000, -0.0001487000000000 ] - [ 0.0002226300000000, -0.0000799200000000, -0.0003514000000000 ] - [ 0.0007655500000000, 0.0015780200000000, 0.0008764600000000 ] - [ 0.0003029200000000, 0.0002908300000000, -0.0000265700000000 ] - [ 0.0003605300000000, 0.0002731500000000, -0.0007006800000000 ] - [ 0.0000138400000000, 0.0002422200000000, 0.0005060000000000 ] - [ 0.0004589900000000, -0.0002185100000000, 0.0000978600000000 ] - [ 0.0000052700000000, -0.0000190100000000, -0.0002403400000000 ] - [ -0.0002026100000000, 0.0001919700000000, 0.0005722100000000 ] - [ 0.0002026100000000, -0.0004455800000000, -0.0000148800000000 ] - [ 0.0004274700000000, 0.0001227800000000, -0.0001736500000000 ] - [ 0.0002048100000000, -0.0002197200000000, 0.0001017000000000 ] - [ -0.0002116500000000, 0.0001322100000000, 0.0002398500000000 ] - [ -0.0000340300000000, 0.0000374800000000, 0.0002065400000000 ] - [ -0.0004197600000000, 0.0001339600000000, 0.0002166700000000 ] - [ 0.0004707300000000, 0.0000862900000000, -0.0001638800000000 ] - [ -0.0001559200000000, -0.0004686200000000, 0.0001562100000000 ] - [ -0.0000391500000000, 0.0001103300000000, 0.0000844800000000 ] - [ -0.0002588300000000, 0.0002810900000000, 0.0000570500000000 ] - [ -0.0001911800000000, -0.0000639100000000, 0.0003523900000000 ] - [ 0.0001709000000000, 0.0002013000000000, -0.0002251700000000 ] - [ -0.0000212800000000, -0.0001156300000000, -0.0000467500000000 ] - [ -0.0000798100000000, 0.0001683700000000, -0.0000958700000000 ] - [ -0.0005097400000000, -0.0000363200000000, -0.0000517200000000 ] - [ 0.0000465300000000, 0.0002513100000000, -0.0004894100000000 ] - [ -0.0000536500000000, 0.0000857200000000, -0.0000318800000000 ] - [ -0.0004540300000000, -0.0002222500000000, -0.0002770800000000 ] - [ 0.0003020000000000, 0.0001099800000000, -0.0002844800000000 ] - [ -0.0002389800000000, 0.0002403600000000, 0.0002168800000000 ] - [ -0.0004244600000000, -0.0001035000000000, 0.0001351800000000 ] - [ 0.0003042100000000, -0.0000889800000000, -0.0000705400000000 ] - [ 0.0002143300000000, -0.0000573100000000, -0.0003428000000000 ] - [ 0.0000885100000000, -0.0000073900000000, 0.0002971500000000 ]- atom: 41 displacement: [ -0.0057565208649526, 0.0000000000000000, 0.0081769473235044 ] forces: - [ -0.0032710000000000, 0.0000771500000000, -0.0012719300000000 ] - [ -0.0020057700000000, 0.0003435800000000, 0.0012477300000000 ] - [ -0.0042218400000000, -0.0004966000000000, 0.0048440000000000 ] - [ 0.0016526900000000, 0.0001714900000000, 0.0007048200000000 ] - [ -0.0005774600000000, -0.0003214800000000, 0.0013376100000000 ] - [ -0.0007126900000000, 0.0002939300000000, 0.0008506600000000 ] - [ 0.0002043100000000, 0.0001171200000000, -0.0031069800000000 ] - [ 0.0013505900000000, 0.0001275900000000, -0.0021117700000000 ] - [ 0.0004862300000000, 0.0004712100000000, -0.0007532800000000 ] - [ 0.0014165600000000, 0.0000000900000000, -0.0008450600000000 ] - [ 0.0003457000000000, 0.0002321800000000, -0.0005901500000000 ] - [ 0.0016295000000000, -0.0000140600000000, 0.0021999700000000 ] - [ 0.0018078100000000, -0.0002755600000000, -0.0007118400000000 ] - [ 0.0015892400000000, 0.0003180800000000, -0.0012447800000000 ] - [ 0.0002817800000000, 0.0000008700000000, -0.0000581400000000 ] - [ -0.0007940800000000, 0.0000976600000000, -0.0001132100000000 ] - [ 0.0002552200000000, -0.0002634600000000, -0.0000258500000000 ] - [ 0.0001346900000000, 0.0054249700000000, 0.0105481600000000 ] - [ -0.0000249500000000, 0.0000161600000000, -0.0007967000000000 ] - [ -0.0001738900000000, -0.0002853900000000, -0.0000707400000000 ] - [ -0.0014407700000000, -0.0003020700000000, -0.0002988200000000 ] - [ 0.0000038300000000, 0.0001016600000000, 0.0004309400000000 ] - [ 0.0004056700000000, -0.0000008400000000, -0.0006814700000000 ] - [ 0.0025138700000000, 0.0002117000000000, -0.0020922900000000 ] - [ 0.0025275300000000, 0.0009866400000000, -0.0021204500000000 ] - [ -0.0061127400000000, -0.0015704400000000, 0.0034798200000000 ] - [ -0.0000107600000000, -0.0002926900000000, -0.0000532200000000 ] - [ 0.0014232600000000, 0.0005641700000000, -0.0007534300000000 ] - [ 0.0010961400000000, -0.0003219300000000, 0.0036265100000000 ] - [ -0.0018278400000000, 0.0002353200000000, 0.0068426000000000 ] - [ 0.0003095400000000, -0.0007170300000000, -0.0008728300000000 ] - [ 0.0024559600000000, -0.0004956600000000, -0.0006960900000000 ] - [ -0.0002096500000000, -0.0000348200000000, -0.0002443400000000 ] - [ -0.0001421600000000, -0.0000702600000000, 0.0004058700000000 ] - [ -0.0003847300000000, 0.0007015400000000, 0.0004802600000000 ] - [ 0.0008787200000000, -0.0004568500000000, -0.0004706900000000 ] - [ 0.0015424100000000, -0.0005801900000000, -0.0023602700000000 ] - [ -0.0029539600000000, 0.0005663700000000, 0.0009138400000000 ] - [ 0.0006022200000000, -0.0000761800000000, -0.0004050800000000 ] - [ 0.0003722300000000, -0.0001665700000000, 0.0000964500000000 ] - [ 0.0283240600000000, -0.0112677500000000, -0.0400723200000000 ] - [ -0.0002751500000000, -0.0003225700000000, 0.0002471700000000 ] - [ -0.0047674600000000, -0.0030722700000000, 0.0059452700000000 ] - [ 0.0000579900000000, -0.0002182200000000, 0.0005993500000000 ] - [ -0.0076499300000000, 0.0061013900000000, -0.0005802900000000 ] - [ 0.0002937000000000, 0.0000814400000000, 0.0001597000000000 ] - [ -0.0003699300000000, 0.0000522300000000, 0.0000115100000000 ] - [ 0.0001032400000000, 0.0019706700000000, 0.0032500600000000 ] - [ 0.0000628800000000, -0.0004104900000000, -0.0001652300000000 ] - [ 0.0006915700000000, 0.0001629300000000, 0.0006238300000000 ] - [ -0.0003763800000000, -0.0001690700000000, -0.0002201000000000 ] - [ -0.0000549000000000, 0.0000456900000000, 0.0008576100000000 ] - [ 0.0009614000000000, 0.0003595900000000, -0.0000458300000000 ] - [ 0.0004870400000000, 0.0002513100000000, -0.0010692400000000 ] - [ 0.0008914200000000, -0.0045441000000000, 0.0069888900000000 ] - [ -0.0002673000000000, 0.0002811300000000, 0.0004587200000000 ] - [ 0.0013649000000000, -0.0001881300000000, 0.0007725000000000 ] - [ -0.0017415900000000, -0.0006663100000000, 0.0038356800000000 ] - [ 0.0000975100000000, -0.0003416200000000, 0.0008496300000000 ] - [ 0.0004676900000000, -0.0000992400000000, 0.0009489900000000 ] - [ -0.0012941900000000, 0.0001489500000000, 0.0004257600000000 ] - [ -0.0019437600000000, 0.0025547500000000, 0.0019631600000000 ] - [ -0.0005730500000000, -0.0002670100000000, -0.0012524400000000 ] - [ 0.0009632200000000, -0.0000032900000000, -0.0020872100000000 ] - [ 0.0007771700000000, 0.0000669400000000, -0.0000122400000000 ] - [ -0.0009049400000000, 0.0001308300000000, -0.0013956200000000 ] - [ -0.0009915400000000, -0.0004297100000000, -0.0012019800000000 ] - [ 0.0008728200000000, 0.0014770300000000, 0.0027474400000000 ] - [ -0.0012108700000000, 0.0039911100000000, -0.0015067900000000 ] - [ 0.0004774800000000, 0.0003225200000000, -0.0002827300000000 ] - [ -0.0007099300000000, -0.0002100600000000, 0.0005293000000000 ] - [ 0.0003244700000000, -0.0000507800000000, -0.0001859400000000 ] - [ -0.0027389600000000, 0.0008061500000000, -0.0006810700000000 ] - [ 0.0007588400000000, 0.0002657500000000, -0.0004559000000000 ] - [ -0.0004531500000000, -0.0000355200000000, 0.0010742700000000 ] - [ -0.0015233800000000, -0.0005934400000000, -0.0002301700000000 ] - [ 0.0004884300000000, 0.0001329400000000, -0.0003874900000000 ] - [ -0.0048028900000000, -0.0020090500000000, -0.0021225400000000 ] - [ 0.0004718700000000, 0.0007678500000000, -0.0020087600000000 ] - [ 0.0006530500000000, -0.0001070800000000, -0.0004449200000000 ] - [ 0.0006409300000000, -0.0000977000000000, -0.0002133500000000 ] - [ 0.0031560000000000, 0.0007865800000000, 0.0005670600000000 ] - [ -0.0001008100000000, 0.0004700000000000, 0.0005919000000000 ] - [ -0.0011217800000000, -0.0000646800000000, 0.0005260500000000 ] - [ -0.0002252300000000, 0.0003325300000000, 0.0006580500000000 ] - [ 0.0012300700000000, -0.0004023200000000, 0.0000608400000000 ] - [ -0.0002060200000000, -0.0001123500000000, 0.0000286300000000 ] - [ -0.0001447200000000, 0.0001488200000000, 0.0005428200000000 ] - [ 0.0005465900000000, -0.0002901700000000, 0.0002628300000000 ] - [ 0.0003091500000000, 0.0001536200000000, 0.0002961400000000 ] - [ 0.0000755700000000, -0.0003124000000000, -0.0003584000000000 ] - [ -0.0003362200000000, 0.0002072300000000, 0.0001303800000000 ] - [ -0.0007310800000000, -0.0000352600000000, -0.0000205800000000 ] - [ -0.0009818700000000, 0.0000787800000000, 0.0006772300000000 ] - [ -0.0002788400000000, -0.0007722800000000, 0.0012272800000000 ] - [ -0.0010364400000000, -0.0002500000000000, -0.0002372200000000 ] - [ -0.0006617300000000, -0.0001413400000000, -0.0000104100000000 ] - [ -0.0004890700000000, 0.0002073500000000, 0.0002195800000000 ] - [ -0.0004973600000000, -0.0000126300000000, 0.0001877300000000 ] - [ -0.0006664500000000, -0.0004223800000000, 0.0010982000000000 ] - [ 0.0006531400000000, -0.0001460300000000, -0.0001975200000000 ] - [ -0.0006826300000000, 0.0005866700000000, 0.0004824700000000 ] - [ -0.0008372600000000, -0.0001434700000000, -0.0004037400000000 ] - [ -0.0005153100000000, 0.0000467500000000, 0.0002089200000000 ] - [ 0.0002599900000000, -0.0000276500000000, 0.0001487700000000 ] - [ -0.0005244900000000, -0.0000220200000000, -0.0007462300000000 ] - [ -0.0007991800000000, -0.0000344500000000, 0.0001813400000000 ] - [ -0.0006033600000000, 0.0003529500000000, 0.0001636400000000 ] - [ -0.0011642700000000, -0.0002642400000000, 0.0005009600000000 ] - [ -0.0008024500000000, 0.0002827100000000, 0.0010928200000000 ] - [ -0.0002089700000000, 0.0005998600000000, 0.0009328100000000 ] - [ -0.0006188000000000, 0.0000146200000000, 0.0002611500000000 ]- atom: 41 displacement: [ 0.0057565208649526, 0.0000000000000000, -0.0081769473235044 ] forces: - [ 0.0032864600000000, 0.0007944400000000, 0.0012619700000000 ] - [ 0.0014820700000000, -0.0004869000000000, -0.0019547100000000 ] - [ 0.0044813400000000, 0.0010030300000000, -0.0066104300000000 ] - [ -0.0018892300000000, -0.0001029500000000, -0.0002834600000000 ] - [ 0.0005914300000000, -0.0001287500000000, -0.0013350800000000 ] - [ 0.0009521400000000, 0.0003058900000000, 0.0003746400000000 ] - [ 0.0003303600000000, -0.0002662100000000, 0.0038324000000000 ] - [ -0.0011205300000000, -0.0000604800000000, 0.0017005700000000 ] - [ -0.0004905900000000, 0.0003961800000000, 0.0007574000000000 ] - [ -0.0019510400000000, -0.0001438300000000, 0.0001393400000000 ] - [ -0.0005826500000000, 0.0003672900000000, -0.0006335600000000 ] - [ -0.0018602000000000, 0.0000886600000000, -0.0018022500000000 ] - [ -0.0018133900000000, -0.0001724800000000, 0.0007166300000000 ] - [ -0.0013674800000000, 0.0002808200000000, 0.0024798400000000 ] - [ 0.0002385700000000, -0.0001444900000000, 0.0007669300000000 ] - [ 0.0010347100000000, -0.0000294800000000, -0.0003054000000000 ] - [ 0.0002400600000000, -0.0001492800000000, 0.0001213000000000 ] - [ -0.0009944000000000, -0.0052699600000000, -0.0097123000000000 ] - [ 0.0005156600000000, -0.0004219000000000, 0.0008987100000000 ] - [ -0.0003184800000000, -0.0001900300000000, -0.0000288300000000 ] - [ 0.0012585200000000, -0.0008765200000000, 0.0010560200000000 ] - [ -0.0006269700000000, -0.0000537500000000, -0.0010003000000000 ] - [ 0.0002950200000000, 0.0002056500000000, 0.0017029100000000 ] - [ -0.0019105200000000, -0.0001664100000000, 0.0026813500000000 ] - [ -0.0036302500000000, 0.0001723100000000, 0.0021643700000000 ] - [ 0.0063307600000000, 0.0003967900000000, -0.0042967400000000 ] - [ 0.0006816700000000, -0.0001807300000000, -0.0000009100000000 ] - [ -0.0003545700000000, 0.0005814800000000, 0.0007217800000000 ] - [ -0.0017937900000000, 0.0005234400000000, -0.0046329800000000 ] - [ 0.0011816800000000, -0.0007277100000000, -0.0068387100000000 ] - [ -0.0005099600000000, -0.0004578300000000, 0.0016357800000000 ] - [ -0.0031029600000000, 0.0005510800000000, 0.0001155200000000 ] - [ 0.0009061200000000, 0.0002391200000000, 0.0012685000000000 ] - [ 0.0007674700000000, 0.0001172100000000, 0.0001659100000000 ] - [ -0.0006810900000000, 0.0004457400000000, -0.0004471300000000 ] - [ -0.0006889600000000, -0.0007201700000000, -0.0002853300000000 ] - [ -0.0008798600000000, 0.0001060200000000, 0.0023098900000000 ] - [ 0.0040374500000000, 0.0005759900000000, -0.0009425300000000 ] - [ -0.0013008200000000, 0.0002812700000000, -0.0006143500000000 ] - [ -0.0010384600000000, -0.0003075000000000, -0.0000390400000000 ] - [ -0.0286886600000000, 0.0108160500000000, 0.0395867600000000 ] - [ 0.0000367000000000, -0.0004657600000000, 0.0000638400000000 ] - [ 0.0049355300000000, 0.0022149400000000, -0.0061488100000000 ] - [ 0.0003505400000000, -0.0002145400000000, -0.0002829800000000 ] - [ 0.0071769700000000, -0.0064682500000000, 0.0002371200000000 ] - [ 0.0000110400000000, 0.0000693500000000, -0.0000007900000000 ] - [ 0.0000665800000000, 0.0000969300000000, -0.0001783300000000 ] - [ -0.0003499500000000, -0.0027199400000000, -0.0028928000000000 ] - [ 0.0001761200000000, -0.0003875900000000, -0.0001357900000000 ] - [ -0.0002834300000000, -0.0005979200000000, -0.0003116200000000 ] - [ -0.0000384200000000, -0.0002590300000000, -0.0001009700000000 ] - [ 0.0003703500000000, 0.0001113200000000, -0.0007069000000000 ] - [ -0.0004456800000000, 0.0002203600000000, -0.0000379400000000 ] - [ -0.0000485400000000, 0.0001489000000000, -0.0001358700000000 ] - [ -0.0008833300000000, 0.0050882100000000, -0.0061388700000000 ] - [ 0.0007606900000000, -0.0004234600000000, -0.0001359500000000 ] - [ -0.0014795200000000, 0.0001752800000000, -0.0013092400000000 ] - [ 0.0013111700000000, 0.0010869600000000, -0.0026652900000000 ] - [ 0.0002854300000000, -0.0005335000000000, -0.0008390600000000 ] - [ 0.0003335700000000, 0.0003473800000000, -0.0012349700000000 ] - [ 0.0018393600000000, -0.0006180700000000, -0.0001917800000000 ] - [ 0.0015825700000000, -0.0023672900000000, -0.0014450300000000 ] - [ 0.0006896200000000, 0.0004465600000000, 0.0012889400000000 ] - [ -0.0017635300000000, 0.0002496100000000, 0.0023765300000000 ] - [ 0.0001232100000000, -0.0000766800000000, 0.0000335600000000 ] - [ 0.0005189200000000, -0.0010000000000000, 0.0013761800000000 ] - [ 0.0009954200000000, 0.0006995500000000, 0.0013718000000000 ] - [ -0.0014143300000000, -0.0009317600000000, -0.0026664200000000 ] - [ 0.0008685800000000, -0.0041423900000000, 0.0022441200000000 ] - [ -0.0000787000000000, 0.0001298000000000, -0.0001377600000000 ] - [ 0.0001710600000000, -0.0002552900000000, -0.0007611800000000 ] - [ -0.0003630000000000, 0.0003378000000000, 0.0000235600000000 ] - [ 0.0018640200000000, -0.0008235900000000, 0.0006783900000000 ] - [ -0.0007798700000000, 0.0002026600000000, -0.0005246600000000 ] - [ 0.0003332900000000, 0.0002210300000000, -0.0011216900000000 ] - [ 0.0010377300000000, 0.0004544100000000, -0.0000937800000000 ] - [ -0.0001084100000000, 0.0000998000000000, -0.0001547000000000 ] - [ 0.0044646600000000, 0.0024928200000000, 0.0025737000000000 ] - [ -0.0011925300000000, -0.0009435700000000, 0.0021789900000000 ] - [ 0.0000566100000000, -0.0000716700000000, 0.0002793900000000 ] - [ -0.0002988700000000, -0.0000325300000000, -0.0004917400000000 ] - [ -0.0030580100000000, -0.0007964500000000, -0.0000254100000000 ] - [ 0.0006238800000000, 0.0001080200000000, -0.0006796000000000 ] - [ 0.0015701600000000, 0.0004661100000000, -0.0017357700000000 ] - [ 0.0002438500000000, 0.0001370100000000, 0.0003233700000000 ] - [ -0.0007459700000000, 0.0002634800000000, 0.0002599100000000 ] - [ 0.0001080100000000, 0.0000986500000000, -0.0005607700000000 ] - [ -0.0002943600000000, 0.0002513700000000, 0.0006616700000000 ] - [ -0.0001630800000000, -0.0005841800000000, -0.0002483300000000 ] - [ 0.0004983600000000, 0.0000933900000000, -0.0005864900000000 ] - [ 0.0004618300000000, -0.0001515900000000, 0.0005900700000000 ] - [ -0.0000448500000000, 0.0000257700000000, 0.0004106300000000 ] - [ 0.0008531200000000, 0.0002171800000000, 0.0000647000000000 ] - [ 0.0001789100000000, 0.0001685200000000, -0.0003920600000000 ] - [ 0.0011860500000000, 0.0007674500000000, -0.0012127600000000 ] - [ 0.0006566300000000, -0.0006248400000000, 0.0002253600000000 ] - [ 0.0006973700000000, 0.0004270400000000, 0.0001707600000000 ] - [ -0.0000286500000000, 0.0003724400000000, -0.0001352800000000 ] - [ 0.0001523500000000, -0.0001168000000000, 0.0005147400000000 ] - [ 0.0010679100000000, 0.0008738000000000, -0.0015197000000000 ] - [ -0.0012009000000000, -0.0003209900000000, -0.0000356100000000 ] - [ 0.0006495600000000, -0.0003021900000000, -0.0006461100000000 ] - [ -0.0000650300000000, 0.0001330100000000, 0.0003807400000000 ] - [ 0.0005029300000000, 0.0004252800000000, -0.0011946000000000 ] - [ -0.0003808700000000, 0.0002111000000000, -0.0001913700000000 ] - [ 0.0000278200000000, -0.0001229100000000, 0.0004225700000000 ] - [ 0.0011889800000000, 0.0002689200000000, -0.0007230600000000 ] - [ 0.0002032400000000, 0.0000995300000000, 0.0002550600000000 ] - [ 0.0004528600000000, 0.0000857700000000, -0.0003370600000000 ] - [ 0.0015257300000000, -0.0004672700000000, -0.0012670800000000 ] - [ 0.0005593900000000, -0.0007302000000000, -0.0016350100000000 ] - [ 0.0007245200000000, -0.0000283600000000, 0.0002708500000000 ]- atom: 42 displacement: [ 0.0099999987502926, 0.0000000000000000, -0.0000049994145799 ] forces: - [ 0.0003525700000000, 0.0002716100000000, 0.0003708900000000 ] - [ -0.0005322400000000, -0.0000554100000000, 0.0005953300000000 ] - [ -0.0005023700000000, 0.0004030000000000, -0.0010017800000000 ] - [ -0.0016096900000000, 0.0002336200000000, 0.0013539600000000 ] - [ -0.0016719100000000, -0.0003182600000000, 0.0002358500000000 ] - [ -0.0005819600000000, 0.0001457700000000, 0.0022176000000000 ] - [ 0.0005066900000000, 0.0000324100000000, -0.0003407100000000 ] - [ -0.0012618200000000, -0.0000390300000000, -0.0030260100000000 ] - [ 0.0002900600000000, 0.0005386900000000, -0.0003814700000000 ] - [ -0.0004299900000000, -0.0001492100000000, -0.0017353900000000 ] - [ 0.0009038700000000, 0.0002077700000000, 0.0008540300000000 ] - [ -0.0015950400000000, 0.0000125700000000, -0.0007441900000000 ] - [ -0.0031974300000000, 0.0002971400000000, 0.0005856400000000 ] - [ -0.0002696800000000, 0.0001984600000000, -0.0001425000000000 ] - [ 0.0003510600000000, -0.0000409900000000, 0.0008393100000000 ] - [ -0.0008336600000000, -0.0000237900000000, 0.0006058300000000 ] - [ 0.0055099200000000, -0.0066607800000000, -0.0045708200000000 ] - [ -0.0003666600000000, -0.0002456700000000, -0.0000572500000000 ] - [ 0.0001483700000000, -0.0001858900000000, 0.0000074100000000 ] - [ 0.0110866000000000, 0.0102228500000000, 0.0128242700000000 ] - [ 0.0012115000000000, -0.0003058500000000, 0.0012481200000000 ] - [ -0.0007695900000000, 0.0001098000000000, 0.0009665700000000 ] - [ 0.0014310600000000, -0.0000061500000000, -0.0010876400000000 ] - [ 0.0001082900000000, 0.0002597100000000, -0.0005995500000000 ] - [ -0.0018600900000000, 0.0004502200000000, 0.0002590900000000 ] - [ -0.0003368000000000, -0.0006392700000000, -0.0003289300000000 ] - [ -0.0003224000000000, 0.0001151100000000, 0.0016624300000000 ] - [ 0.0008976100000000, -0.0004721300000000, -0.0021279600000000 ] - [ -0.0009000100000000, 0.0000731100000000, -0.0000240300000000 ] - [ -0.0011609400000000, -0.0002613100000000, -0.0003800600000000 ] - [ -0.0005782900000000, -0.0005303000000000, 0.0000294200000000 ] - [ -0.0008321100000000, -0.0000946000000000, -0.0011503700000000 ] - [ -0.0000046700000000, 0.0001181700000000, 0.0007005700000000 ] - [ -0.0001039600000000, -0.0001554400000000, 0.0011945400000000 ] - [ -0.0039457000000000, 0.0003381400000000, -0.0002106300000000 ] - [ 0.0022866000000000, -0.0002167800000000, -0.0007036700000000 ] - [ -0.0008014400000000, -0.0001845200000000, -0.0008830000000000 ] - [ -0.0004464000000000, 0.0006377400000000, 0.0001297300000000 ] - [ -0.0004894200000000, 0.0003961600000000, -0.0020397100000000 ] - [ 0.0021450200000000, -0.0017256900000000, -0.0002313800000000 ] - [ 0.0000568100000000, 0.0001011000000000, -0.0001106600000000 ] - [ -0.0381655700000000, -0.0001949800000000, -0.0055198600000000 ] - [ 0.0004013300000000, -0.0003129000000000, -0.0001549500000000 ] - [ -0.0006444900000000, -0.0003027200000000, 0.0014217800000000 ] - [ 0.0001353700000000, -0.0002940300000000, -0.0004393900000000 ] - [ 0.0021852900000000, -0.0001113100000000, -0.0044223500000000 ] - [ -0.0003855800000000, 0.0001136800000000, 0.0000648100000000 ] - [ 0.0001177400000000, -0.0004588000000000, 0.0001533100000000 ] - [ 0.0080438000000000, -0.0000464200000000, -0.0000127300000000 ] - [ 0.0004478000000000, -0.0001555500000000, 0.0000070800000000 ] - [ 0.0042166100000000, -0.0012755200000000, 0.0044452200000000 ] - [ 0.0003853800000000, 0.0000559000000000, 0.0001583400000000 ] - [ 0.0001087300000000, 0.0003006900000000, -0.0005708600000000 ] - [ 0.0006375200000000, 0.0002307500000000, -0.0014475900000000 ] - [ 0.0000506500000000, 0.0001482400000000, 0.0005140700000000 ] - [ 0.0044629700000000, -0.0008936300000000, 0.0025050400000000 ] - [ -0.0007206800000000, 0.0001510600000000, -0.0005186000000000 ] - [ -0.0002495200000000, 0.0002010400000000, 0.0009987700000000 ] - [ 0.0000089100000000, -0.0005113600000000, 0.0004396500000000 ] - [ -0.0000972600000000, 0.0000037800000000, 0.0006328300000000 ] - [ 0.0009464900000000, -0.0003462600000000, -0.0001570300000000 ] - [ 0.0001339300000000, 0.0000055300000000, 0.0007086200000000 ] - [ 0.0005184000000000, 0.0002463600000000, -0.0004348400000000 ] - [ -0.0001451700000000, 0.0000671300000000, -0.0003716600000000 ] - [ 0.0006884000000000, 0.0003372200000000, -0.0004425600000000 ] - [ 0.0000845600000000, -0.0005185300000000, -0.0003215600000000 ] - [ 0.0007636400000000, 0.0004417400000000, 0.0003379600000000 ] - [ -0.0001951500000000, 0.0003262700000000, 0.0001084100000000 ] - [ 0.0001441900000000, -0.0002259800000000, 0.0007118100000000 ] - [ 0.0006431300000000, 0.0004599600000000, -0.0008483800000000 ] - [ 0.0020206800000000, -0.0018234600000000, 0.0021953000000000 ] - [ 0.0004140000000000, -0.0000765600000000, -0.0004612400000000 ] - [ -0.0000990900000000, 0.0001912400000000, 0.0004830600000000 ] - [ -0.0001296400000000, -0.0000930800000000, -0.0011481100000000 ] - [ -0.0003736200000000, 0.0001880900000000, 0.0006917400000000 ] - [ 0.0006028500000000, 0.0003551100000000, -0.0002051300000000 ] - [ 0.0002903500000000, 0.0002444300000000, -0.0008519300000000 ] - [ 0.0002073700000000, 0.0001506700000000, 0.0004280900000000 ] - [ 0.0003034700000000, -0.0000218300000000, 0.0000415700000000 ] - [ 0.0013365200000000, -0.0004663300000000, -0.0008198000000000 ] - [ 0.0000222600000000, -0.0003222100000000, -0.0012984100000000 ] - [ 0.0001745000000000, 0.0000288300000000, 0.0001679000000000 ] - [ 0.0003532100000000, 0.0003128900000000, 0.0002623600000000 ] - [ 0.0002719300000000, 0.0002540600000000, -0.0001041800000000 ] - [ -0.0004932300000000, 0.0005024300000000, 0.0005175500000000 ] - [ 0.0008291000000000, -0.0003552400000000, 0.0001534700000000 ] - [ 0.0000697600000000, -0.0001245500000000, -0.0001445400000000 ] - [ 0.0000014700000000, 0.0001816700000000, -0.0000632600000000 ] - [ 0.0003744700000000, -0.0003780600000000, -0.0001754200000000 ] - [ 0.0004968600000000, 0.0001767000000000, -0.0003005500000000 ] - [ 0.0011919500000000, -0.0003044100000000, 0.0006428500000000 ] - [ -0.0002846300000000, 0.0001198400000000, -0.0003243900000000 ] - [ 0.0004261700000000, 0.0000584000000000, 0.0006972400000000 ] - [ -0.0007393900000000, 0.0001492000000000, 0.0010324900000000 ] - [ 0.0006632300000000, -0.0003898600000000, 0.0008299600000000 ] - [ 0.0003530600000000, -0.0004172900000000, 0.0007260900000000 ] - [ 0.0003346700000000, 0.0005775900000000, -0.0003383600000000 ] - [ -0.0007691900000000, 0.0001270200000000, 0.0000160200000000 ] - [ -0.0010795300000000, 0.0017978500000000, -0.0025817600000000 ] - [ 0.0006921500000000, 0.0002882000000000, 0.0002497900000000 ] - [ 0.0002391200000000, -0.0001506700000000, -0.0002438300000000 ] - [ 0.0011389500000000, -0.0003515000000000, 0.0004621000000000 ] - [ -0.0003076800000000, -0.0005499200000000, -0.0007908500000000 ] - [ 0.0000623900000000, 0.0002961700000000, -0.0002426500000000 ] - [ 0.0002072100000000, -0.0000094500000000, -0.0002744700000000 ] - [ 0.0014547900000000, 0.0003915700000000, 0.0005030000000000 ] - [ 0.0005459100000000, 0.0001277600000000, 0.0002770000000000 ] - [ 0.0011592400000000, -0.0012882400000000, -0.0021202300000000 ] - [ 0.0003166000000000, 0.0004454300000000, -0.0009041900000000 ] - [ 0.0013761600000000, -0.0002065700000000, -0.0000321400000000 ] - [ 0.0005779800000000, 0.0002118900000000, 0.0003226500000000 ] - [ -0.0006355900000000, -0.0001412200000000, 0.0003770200000000 ]- atom: 42 displacement: [ -0.0099999987502926, 0.0000000000000000, 0.0000049994145799 ] forces: - [ -0.0003515300000000, 0.0005963900000000, -0.0003663600000000 ] - [ 0.0000102300000000, -0.0000880700000000, -0.0012933700000000 ] - [ 0.0002660100000000, 0.0001958400000000, -0.0002251900000000 ] - [ 0.0013680200000000, -0.0001633400000000, -0.0009197500000000 ] - [ 0.0016660700000000, -0.0001309600000000, -0.0002367900000000 ] - [ 0.0008143200000000, 0.0004529500000000, -0.0009833000000000 ] - [ 0.0000187000000000, -0.0001753600000000, 0.0010470100000000 ] - [ 0.0014885600000000, 0.0001074400000000, 0.0025738700000000 ] - [ -0.0002932500000000, 0.0003307400000000, 0.0003749600000000 ] - [ -0.0000945600000000, 0.0000057100000000, 0.0010275800000000 ] - [ -0.0011189300000000, 0.0003877900000000, -0.0020795900000000 ] - [ 0.0013580500000000, 0.0000549500000000, 0.0011650900000000 ] - [ 0.0031704100000000, -0.0007411700000000, -0.0005783800000000 ] - [ 0.0005012000000000, 0.0003997900000000, 0.0013638000000000 ] - [ 0.0001717900000000, -0.0001021800000000, -0.0001363300000000 ] - [ 0.0010623900000000, 0.0000923700000000, -0.0010280400000000 ] - [ -0.0051404400000000, 0.0065959900000000, 0.0049345200000000 ] - [ -0.0001307900000000, -0.0002306100000000, -0.0000425400000000 ] - [ 0.0003467200000000, -0.0002200300000000, 0.0000872200000000 ] - [ -0.0119075000000000, -0.0112087800000000, -0.0134998500000000 ] - [ -0.0014038300000000, -0.0008709500000000, -0.0004799600000000 ] - [ 0.0001457800000000, -0.0000622300000000, -0.0015291100000000 ] - [ -0.0007176800000000, 0.0002142700000000, 0.0021019300000000 ] - [ 0.0005169100000000, -0.0002101500000000, 0.0011658500000000 ] - [ 0.0007782800000000, 0.0006965900000000, -0.0002196700000000 ] - [ 0.0005277400000000, -0.0005384600000000, -0.0004256400000000 ] - [ 0.0009756400000000, -0.0005866300000000, -0.0017115900000000 ] - [ 0.0002044400000000, 0.0015788400000000, 0.0020584200000000 ] - [ 0.0002002100000000, 0.0001303500000000, -0.0009879900000000 ] - [ 0.0004933600000000, -0.0002121100000000, 0.0004349400000000 ] - [ 0.0003810200000000, -0.0006468000000000, 0.0007228700000000 ] - [ 0.0002071800000000, 0.0001414600000000, 0.0005773600000000 ] - [ 0.0006990000000000, 0.0000858500000000, 0.0003144500000000 ] - [ 0.0007268600000000, 0.0002022200000000, -0.0006207700000000 ] - [ 0.0028669400000000, 0.0008071100000000, 0.0002512000000000 ] - [ -0.0020871600000000, -0.0009554900000000, -0.0000635900000000 ] - [ 0.0014576700000000, -0.0002884300000000, 0.0008192900000000 ] - [ 0.0015139600000000, 0.0005099800000000, -0.0001663200000000 ] - [ -0.0002133800000000, -0.0001964800000000, 0.0010182400000000 ] - [ -0.0027763500000000, 0.0012387700000000, 0.0002624000000000 ] - [ -0.0003647200000000, 0.0000536100000000, -0.0000528000000000 ] - [ 0.0383558700000000, -0.0003456700000000, 0.0062228100000000 ] - [ -0.0001501600000000, -0.0004864100000000, -0.0001484100000000 ] - [ 0.0010104200000000, -0.0001637900000000, -0.0011271500000000 ] - [ -0.0005416200000000, -0.0001396800000000, 0.0001182300000000 ] - [ -0.0018773900000000, 0.0002616800000000, 0.0046048500000000 ] - [ 0.0000652900000000, 0.0000484700000000, -0.0001867800000000 ] - [ -0.0003640300000000, -0.0003293500000000, 0.0001625400000000 ] - [ -0.0078341100000000, -0.0007454200000000, -0.0003020500000000 ] - [ -0.0000428100000000, -0.0002809200000000, 0.0003080000000000 ] - [ -0.0046691200000000, 0.0008731800000000, -0.0048218000000000 ] - [ -0.0000727300000000, 0.0000999000000000, -0.0000027100000000 ] - [ 0.0004107400000000, 0.0002760800000000, 0.0004814500000000 ] - [ -0.0001984000000000, 0.0001692400000000, 0.0002383000000000 ] - [ -0.0000340800000000, 0.0003226200000000, 0.0004690800000000 ] - [ -0.0039168900000000, 0.0007477400000000, -0.0021495700000000 ] - [ 0.0006156300000000, -0.0001626900000000, -0.0000175700000000 ] - [ -0.0001891400000000, 0.0001988500000000, 0.0002076700000000 ] - [ 0.0003685600000000, -0.0003660500000000, -0.0004239900000000 ] - [ 0.0009007300000000, 0.0002410000000000, -0.0009186800000000 ] - [ -0.0003996500000000, -0.0001192600000000, 0.0003821200000000 ] - [ -0.0005128700000000, 0.0002267400000000, -0.0001655400000000 ] - [ -0.0003946200000000, -0.0000610500000000, 0.0004717600000000 ] - [ -0.0006590800000000, 0.0001793300000000, 0.0006557500000000 ] - [ 0.0002139900000000, -0.0003481100000000, 0.0004646200000000 ] - [ -0.0004672100000000, -0.0003576100000000, 0.0003028400000000 ] - [ -0.0007291500000000, -0.0001571900000000, -0.0001774600000000 ] - [ -0.0003243100000000, 0.0002520500000000, -0.0000229400000000 ] - [ -0.0004892800000000, 0.0000941000000000, -0.0000083100000000 ] - [ -0.0002379000000000, -0.0000045000000000, 0.0004247400000000 ] - [ -0.0025160500000000, 0.0013263400000000, -0.0023800900000000 ] - [ -0.0004419100000000, 0.0003588300000000, 0.0003015100000000 ] - [ -0.0008014100000000, -0.0002023500000000, -0.0005053300000000 ] - [ 0.0001130300000000, 0.0005649000000000, 0.0001608000000000 ] - [ 0.0002447500000000, -0.0000032400000000, -0.0007277400000000 ] - [ -0.0010891100000000, -0.0004924400000000, -0.0001209300000000 ] - [ 0.0000887800000000, -0.0000117000000000, 0.0003068500000000 ] - [ -0.0006079800000000, 0.0003033600000000, -0.0000070000000000 ] - [ -0.0010179700000000, -0.0001585400000000, 0.0001245500000000 ] - [ -0.0006162400000000, 0.0002857600000000, 0.0006527800000000 ] - [ 0.0003242500000000, 0.0001892000000000, 0.0005916600000000 ] - [ -0.0000712700000000, -0.0000417300000000, 0.0003635200000000 ] - [ 0.0001676400000000, 0.0002654100000000, -0.0003460100000000 ] - [ 0.0001655800000000, 0.0001460400000000, -0.0010983600000000 ] - [ 0.0005062700000000, -0.0000323100000000, 0.0004723800000000 ] - [ -0.0003335200000000, 0.0002131400000000, 0.0001721400000000 ] - [ -0.0001700000000000, 0.0001105400000000, -0.0003860800000000 ] - [ -0.0004393000000000, 0.0002171800000000, 0.0012669700000000 ] - [ 0.0000113400000000, -0.0004969800000000, 0.0001918500000000 ] - [ 0.0003096100000000, 0.0000699100000000, 0.0000139000000000 ] - [ -0.0006445400000000, -0.0001618300000000, -0.0004129600000000 ] - [ -0.0000970900000000, 0.0001146900000000, 0.0008635200000000 ] - [ -0.0003049900000000, 0.0001282100000000, -0.0006558400000000 ] - [ -0.0000648500000000, 0.0000982900000000, -0.0007421800000000 ] - [ 0.0002383300000000, 0.0003747500000000, -0.0007991000000000 ] - [ -0.0007364600000000, -0.0004590800000000, -0.0007406600000000 ] - [ -0.0003065500000000, -0.0002949800000000, 0.0004946500000000 ] - [ 0.0002459100000000, 0.0004507800000000, 0.0000760800000000 ] - [ 0.0007235300000000, -0.0019047700000000, 0.0032537300000000 ] - [ -0.0002861600000000, 0.0001665300000000, -0.0006669200000000 ] - [ -0.0007790800000000, -0.0003137800000000, 0.0000170500000000 ] - [ -0.0011613100000000, 0.0006311300000000, -0.0006170300000000 ] - [ -0.0005958300000000, 0.0005352800000000, 0.0007609200000000 ] - [ -0.0000778000000000, 0.0001753200000000, -0.0007395900000000 ] - [ -0.0003264900000000, 0.0001928900000000, 0.0002341200000000 ] - [ -0.0019467600000000, -0.0005315500000000, -0.0008286000000000 ] - [ -0.0001649100000000, 0.0001043900000000, -0.0008161100000000 ] - [ -0.0015485600000000, 0.0017236800000000, 0.0025180500000000 ] - [ -0.0010288100000000, -0.0006269900000000, 0.0010542800000000 ] - [ -0.0006501400000000, 0.0000253700000000, -0.0001343200000000 ] - [ -0.0002288700000000, -0.0003415300000000, -0.0010199100000000 ] - [ 0.0007409000000000, 0.0001278500000000, 0.0001576300000000 ]- atom: 42 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000114200000000, 0.0004485000000000, -0.0004534800000000 ] - [ -0.0001079300000000, -0.0000884600000000, -0.0007572400000000 ] - [ -0.0001243200000000, 0.0002874600000000, -0.0006709900000000 ] - [ 0.0002079300000000, 0.0000163400000000, -0.0004311900000000 ] - [ 0.0002620400000000, -0.0002459100000000, 0.0000912900000000 ] - [ 0.0007161000000000, 0.0004594600000000, 0.0000069600000000 ] - [ -0.0000624300000000, -0.0000529200000000, 0.0000397600000000 ] - [ 0.0003307400000000, 0.0005653800000000, 0.0015116100000000 ] - [ -0.0001252200000000, 0.0004089500000000, -0.0000352500000000 ] - [ -0.0003600500000000, -0.0000407000000000, -0.0001030800000000 ] - [ 0.0001450200000000, 0.0004428100000000, -0.0010242900000000 ] - [ 0.0000563100000000, 0.0000872200000000, 0.0002107800000000 ] - [ 0.0007072200000000, -0.0008617300000000, -0.0005755200000000 ] - [ 0.0001139400000000, 0.0003052400000000, 0.0008718000000000 ] - [ 0.0003768400000000, -0.0000882700000000, 0.0001911700000000 ] - [ 0.0004208900000000, 0.0000091700000000, -0.0002510600000000 ] - [ -0.0061136800000000, 0.0083367900000000, 0.0074063300000000 ] - [ -0.0002141400000000, -0.0002369900000000, -0.0000666900000000 ] - [ 0.0002732200000000, -0.0002074000000000, 0.0000556100000000 ] - [ 0.0091418900000000, 0.0084999900000000, 0.0128517000000000 ] - [ -0.0000507300000000, -0.0007624000000000, -0.0001989500000000 ] - [ -0.0000737800000000, -0.0000541800000000, -0.0006078700000000 ] - [ -0.0009231300000000, -0.0004442800000000, 0.0001320400000000 ] - [ 0.0000391500000000, -0.0000543600000000, 0.0004175300000000 ] - [ -0.0000487400000000, 0.0006165900000000, -0.0001293000000000 ] - [ 0.0001561100000000, -0.0005713500000000, -0.0005836100000000 ] - [ 0.0009445900000000, -0.0002066200000000, -0.0000538500000000 ] - [ 0.0021028400000000, 0.0025775600000000, 0.0029495200000000 ] - [ -0.0001799000000000, 0.0001126600000000, -0.0007915300000000 ] - [ -0.0002303800000000, -0.0002205200000000, 0.0000022100000000 ] - [ 0.0000336400000000, -0.0006076600000000, 0.0004787000000000 ] - [ -0.0003280200000000, 0.0000460500000000, -0.0001801700000000 ] - [ 0.0004827400000000, 0.0001120100000000, 0.0004730800000000 ] - [ 0.0005867900000000, 0.0000830300000000, 0.0000725800000000 ] - [ -0.0008172100000000, -0.0001513500000000, -0.0004459000000000 ] - [ -0.0003929200000000, -0.0006978800000000, -0.0003441400000000 ] - [ 0.0007122000000000, -0.0003320900000000, 0.0003130800000000 ] - [ 0.0007384900000000, 0.0005589700000000, -0.0000479600000000 ] - [ -0.0001700800000000, -0.0001022700000000, 0.0000252900000000 ] - [ -0.0017270500000000, 0.0003503700000000, 0.0008634400000000 ] - [ -0.0001877200000000, 0.0000631900000000, -0.0000248900000000 ] - [ 0.0003825800000000, -0.0393490400000000, -0.0276704300000000 ] - [ 0.0000326300000000, -0.0004329200000000, -0.0001353100000000 ] - [ 0.0023561600000000, 0.0051958500000000, 0.0028534400000000 ] - [ -0.0003328500000000, -0.0001882900000000, -0.0000162600000000 ] - [ -0.0013796700000000, 0.0002988200000000, 0.0022217600000000 ] - [ -0.0000518500000000, 0.0017154500000000, 0.0028319000000000 ] - [ -0.0001779500000000, -0.0003785300000000, 0.0001659100000000 ] - [ -0.0002883700000000, 0.0102322700000000, -0.0021880800000000 ] - [ 0.0001436300000000, -0.0002315600000000, 0.0001875700000000 ] - [ -0.0000759300000000, 0.0008189800000000, -0.0001118800000000 ] - [ 0.0000829100000000, 0.0000918400000000, 0.0000494400000000 ] - [ 0.0002156000000000, 0.0003097800000000, 0.0002154900000000 ] - [ 0.0000457800000000, 0.0002072500000000, -0.0003183500000000 ] - [ 0.0000303800000000, 0.0002560000000000, 0.0006029700000000 ] - [ -0.0039053700000000, 0.0028622100000000, -0.0023145000000000 ] - [ 0.0000576700000000, -0.0000725500000000, -0.0000872700000000 ] - [ -0.0000938600000000, 0.0001509900000000, 0.0005715700000000 ] - [ 0.0007280300000000, -0.0000324200000000, 0.0001769700000000 ] - [ 0.0005580500000000, 0.0002143100000000, 0.0000477900000000 ] - [ 0.0000144400000000, -0.0001526000000000, 0.0002947200000000 ] - [ -0.0001208400000000, 0.0001406300000000, 0.0002902400000000 ] - [ -0.0000739900000000, 0.0000533100000000, 0.0002164200000000 ] - [ -0.0005254400000000, 0.0001368100000000, 0.0004218900000000 ] - [ 0.0002762700000000, -0.0000993500000000, 0.0000860900000000 ] - [ -0.0002706300000000, -0.0004164600000000, 0.0001254500000000 ] - [ -0.0000454400000000, 0.0001304800000000, 0.0000671500000000 ] - [ -0.0002502800000000, 0.0002398800000000, 0.0001794700000000 ] - [ -0.0001840600000000, -0.0000669800000000, 0.0003731900000000 ] - [ -0.0000310500000000, 0.0002536400000000, -0.0002181300000000 ] - [ -0.0006805600000000, -0.0003892300000000, -0.0009823800000000 ] - [ -0.0003034900000000, 0.0002405200000000, -0.0000695300000000 ] - [ -0.0004829900000000, -0.0000205400000000, -0.0000480800000000 ] - [ -0.0000500600000000, 0.0003563500000000, -0.0001633000000000 ] - [ 0.0005380100000000, -0.0000779300000000, -0.0001065700000000 ] - [ -0.0005451600000000, -0.0002407300000000, -0.0000505200000000 ] - [ 0.0000570100000000, 0.0000162900000000, -0.0001089200000000 ] - [ -0.0002424500000000, 0.0002448200000000, 0.0002202300000000 ] - [ -0.0004541200000000, -0.0001154300000000, 0.0001053800000000 ] - [ 0.0002399400000000, -0.0001844000000000, -0.0001737100000000 ] - [ 0.0000273000000000, -0.0001643400000000, -0.0003372400000000 ] - [ 0.0000378500000000, 0.0000343600000000, 0.0003951700000000 ] - [ 0.0002577300000000, 0.0002802300000000, -0.0001176400000000 ] - [ 0.0002661000000000, 0.0001950100000000, -0.0007169300000000 ] - [ 0.0000424500000000, 0.0001266500000000, 0.0005694100000000 ] - [ 0.0001206100000000, -0.0000178600000000, 0.0001253900000000 ] - [ -0.0000986500000000, 0.0000177300000000, -0.0002814800000000 ] - [ -0.0003654700000000, 0.0002179000000000, 0.0008047600000000 ] - [ 0.0001015300000000, -0.0004561800000000, 0.0000349100000000 ] - [ 0.0003504300000000, 0.0001123400000000, -0.0000718100000000 ] - [ 0.0001352300000000, -0.0001128700000000, 0.0001404200000000 ] - [ -0.0002678900000000, 0.0001319600000000, 0.0004108200000000 ] - [ -0.0000467700000000, 0.0000634200000000, -0.0001227400000000 ] - [ -0.0002563300000000, 0.0001388600000000, -0.0001086300000000 ] - [ 0.0005799400000000, 0.0001418000000000, -0.0002564200000000 ] - [ -0.0003188000000000, -0.0002924900000000, -0.0001701900000000 ] - [ -0.0000442900000000, -0.0000771100000000, 0.0003160700000000 ] - [ -0.0001959100000000, 0.0003834900000000, 0.0001794000000000 ] - [ -0.0001413400000000, -0.0004509000000000, 0.0011296900000000 ] - [ 0.0000800500000000, 0.0002300600000000, -0.0004188400000000 ] - [ -0.0003715500000000, -0.0002352500000000, -0.0001165000000000 ] - [ -0.0005929600000000, 0.0004183600000000, -0.0003982100000000 ] - [ -0.0005300400000000, 0.0000863800000000, 0.0001785400000000 ] - [ -0.0000004300000000, 0.0002320300000000, -0.0005504300000000 ] - [ -0.0001666400000000, 0.0001146000000000, 0.0000339100000000 ] - [ -0.0000115700000000, 0.0002705500000000, 0.0000134000000000 ] - [ 0.0002248600000000, 0.0001564600000000, -0.0003514500000000 ] - [ -0.0001059300000000, 0.0001804400000000, 0.0003385300000000 ] - [ -0.0005264000000000, -0.0016122300000000, 0.0010431400000000 ] - [ 0.0000023900000000, -0.0000283000000000, -0.0001115900000000 ] - [ 0.0000632500000000, -0.0001735000000000, -0.0006133700000000 ] - [ 0.0002587200000000, 0.0000104500000000, 0.0003005200000000 ]- atom: 42 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000178100000000, 0.0004172300000000, 0.0004552200000000 ] - [ -0.0004104800000000, -0.0000550200000000, 0.0000600200000000 ] - [ -0.0001165700000000, 0.0003130000000000, -0.0005590300000000 ] - [ -0.0004431400000000, 0.0000521200000000, 0.0008824200000000 ] - [ -0.0002709800000000, -0.0002028500000000, -0.0000910200000000 ] - [ -0.0004838700000000, 0.0001389900000000, 0.0012313700000000 ] - [ 0.0005851900000000, -0.0000901600000000, 0.0006530900000000 ] - [ -0.0001185400000000, -0.0005072800000000, -0.0019748300000000 ] - [ 0.0001253000000000, 0.0004583000000000, 0.0000273500000000 ] - [ -0.0001680500000000, -0.0001032600000000, -0.0006199800000000 ] - [ -0.0003769300000000, 0.0001533800000000, -0.0002011100000000 ] - [ -0.0003047300000000, -0.0000206000000000, 0.0002134000000000 ] - [ -0.0007343600000000, 0.0004304700000000, 0.0005970200000000 ] - [ 0.0001158300000000, 0.0002928500000000, 0.0003440900000000 ] - [ 0.0001432300000000, -0.0000551600000000, 0.0005141500000000 ] - [ -0.0001948100000000, 0.0000582000000000, -0.0001725100000000 ] - [ 0.0061366700000000, -0.0082456600000000, -0.0067626600000000 ] - [ -0.0002859400000000, -0.0002369900000000, -0.0000381000000000 ] - [ 0.0002237900000000, -0.0001963200000000, 0.0000493000000000 ] - [ -0.0100906100000000, -0.0091844000000000, -0.0134498400000000 ] - [ -0.0001223600000000, -0.0004127900000000, 0.0009647700000000 ] - [ -0.0005474500000000, 0.0001039800000000, 0.0000433100000000 ] - [ 0.0016288300000000, 0.0006441700000000, 0.0008686600000000 ] - [ 0.0005788400000000, 0.0001048700000000, 0.0001411700000000 ] - [ -0.0010392900000000, 0.0005294300000000, 0.0001698100000000 ] - [ 0.0000349800000000, -0.0006056000000000, -0.0001741000000000 ] - [ -0.0002915400000000, -0.0002617100000000, 0.0000059200000000 ] - [ -0.0010466300000000, -0.0016096300000000, -0.0030461200000000 ] - [ -0.0005176800000000, 0.0000902300000000, -0.0002193800000000 ] - [ -0.0004413800000000, -0.0002527500000000, 0.0000502800000000 ] - [ -0.0002348900000000, -0.0005681600000000, 0.0002717700000000 ] - [ -0.0003034900000000, 0.0000008100000000, -0.0004007600000000 ] - [ 0.0002089400000000, 0.0000918900000000, 0.0005428600000000 ] - [ 0.0000350500000000, -0.0000358900000000, 0.0005020000000000 ] - [ -0.0002755700000000, 0.0013028100000000, 0.0004980800000000 ] - [ 0.0005995100000000, -0.0004766300000000, -0.0004239000000000 ] - [ -0.0000618500000000, -0.0001399200000000, -0.0003799700000000 ] - [ 0.0003250600000000, 0.0005877000000000, 0.0000136400000000 ] - [ -0.0005374400000000, 0.0003124400000000, -0.0010587800000000 ] - [ 0.0010874500000000, -0.0008017800000000, -0.0007603400000000 ] - [ -0.0001058900000000, 0.0000782800000000, -0.0001433500000000 ] - [ 0.0002418800000000, 0.0384010600000000, 0.0278677200000000 ] - [ 0.0002106800000000, -0.0003638800000000, -0.0001634300000000 ] - [ -0.0019332300000000, -0.0055989500000000, -0.0024395800000000 ] - [ -0.0000788200000000, -0.0002384000000000, -0.0003104600000000 ] - [ 0.0016895400000000, -0.0001499300000000, -0.0020867400000000 ] - [ -0.0002451900000000, -0.0015735300000000, -0.0030343600000000 ] - [ -0.0000585200000000, -0.0004076200000000, 0.0001454400000000 ] - [ 0.0004189500000000, -0.0110163700000000, 0.0018779800000000 ] - [ 0.0002640600000000, -0.0002009000000000, 0.0001272400000000 ] - [ -0.0002892700000000, -0.0012731700000000, -0.0001796100000000 ] - [ 0.0002217000000000, 0.0000548800000000, 0.0001092500000000 ] - [ 0.0003006000000000, 0.0002701000000000, -0.0003073100000000 ] - [ 0.0003922800000000, 0.0001912100000000, -0.0008911400000000 ] - [ -0.0000134300000000, 0.0002132000000000, 0.0003814700000000 ] - [ 0.0045182000000000, -0.0030538500000000, 0.0026979800000000 ] - [ -0.0001695100000000, 0.0000596600000000, -0.0004446600000000 ] - [ -0.0003442300000000, 0.0002483400000000, 0.0006394100000000 ] - [ -0.0003408800000000, -0.0008413000000000, -0.0001509700000000 ] - [ 0.0002422200000000, 0.0000330300000000, -0.0003258400000000 ] - [ 0.0005315500000000, -0.0003160200000000, -0.0000706800000000 ] - [ -0.0002547600000000, 0.0000911300000000, 0.0002583300000000 ] - [ 0.0001934600000000, 0.0001300500000000, -0.0001816600000000 ] - [ -0.0002803800000000, 0.0001095100000000, -0.0001377800000000 ] - [ 0.0006285400000000, 0.0000904700000000, -0.0000653600000000 ] - [ -0.0001159400000000, -0.0004569000000000, -0.0001460300000000 ] - [ 0.0000819500000000, 0.0001578000000000, 0.0000946800000000 ] - [ -0.0002681800000000, 0.0003393500000000, -0.0000905100000000 ] - [ -0.0001590900000000, -0.0000628600000000, 0.0003368200000000 ] - [ 0.0004373800000000, 0.0002003900000000, -0.0002063600000000 ] - [ 0.0001416700000000, -0.0000504600000000, 0.0007700500000000 ] - [ 0.0002770900000000, 0.0000429200000000, -0.0000916400000000 ] - [ -0.0004157100000000, 0.0000121900000000, 0.0000309100000000 ] - [ 0.0000300000000000, 0.0001097800000000, -0.0008247600000000 ] - [ -0.0006595300000000, 0.0002634400000000, 0.0000766300000000 ] - [ 0.0000618200000000, 0.0001048400000000, -0.0002787900000000 ] - [ 0.0003220900000000, 0.0002179900000000, -0.0004374100000000 ] - [ -0.0001564500000000, 0.0002071800000000, 0.0002029000000000 ] - [ -0.0002557200000000, -0.0000652600000000, 0.0000588200000000 ] - [ 0.0004834300000000, -0.0000001400000000, 0.0000045200000000 ] - [ 0.0003158500000000, 0.0000347500000000, -0.0003738400000000 ] - [ 0.0000626200000000, -0.0000479900000000, 0.0001353900000000 ] - [ 0.0002631800000000, 0.0002991500000000, 0.0000356400000000 ] - [ 0.0001741300000000, 0.0002058400000000, -0.0004825700000000 ] - [ -0.0000277000000000, 0.0003464400000000, 0.0004164000000000 ] - [ 0.0003767300000000, -0.0001256000000000, 0.0001993000000000 ] - [ 0.0000006900000000, -0.0000339300000000, -0.0002465800000000 ] - [ -0.0000726300000000, 0.0001812400000000, 0.0003994500000000 ] - [ 0.0002870700000000, -0.0004158000000000, -0.0000176400000000 ] - [ 0.0004569000000000, 0.0001349700000000, -0.0002149100000000 ] - [ 0.0004107500000000, -0.0003559300000000, 0.0000854900000000 ] - [ -0.0001140200000000, 0.0001020000000000, 0.0001295900000000 ] - [ 0.0001739400000000, 0.0001193100000000, 0.0001689400000000 ] - [ -0.0005517400000000, 0.0001079100000000, 0.0004057300000000 ] - [ 0.0003276600000000, -0.0001567200000000, 0.0002882400000000 ] - [ -0.0000578000000000, -0.0005831700000000, 0.0001622600000000 ] - [ 0.0000649000000000, 0.0003550300000000, -0.0001732100000000 ] - [ -0.0003248300000000, 0.0001927600000000, -0.0000902100000000 ] - [ -0.0002095900000000, 0.0003182700000000, -0.0004302400000000 ] - [ 0.0003308300000000, 0.0002236200000000, 0.0000031200000000 ] - [ -0.0001620600000000, -0.0002297700000000, -0.0001126700000000 ] - [ 0.0005805000000000, -0.0001407400000000, 0.0002459500000000 ] - [ -0.0003765100000000, -0.0000974900000000, -0.0002058200000000 ] - [ -0.0000144800000000, 0.0002386100000000, -0.0004290400000000 ] - [ 0.0000503400000000, 0.0000668700000000, -0.0000737700000000 ] - [ -0.0004766800000000, -0.0004090800000000, -0.0003398500000000 ] - [ 0.0001616900000000, 0.0000769500000000, -0.0001834100000000 ] - [ -0.0003107700000000, 0.0002773000000000, 0.0000816200000000 ] - [ -0.0001672500000000, 0.0014670700000000, -0.0009195800000000 ] - [ 0.0007259800000000, -0.0001537400000000, -0.0000543800000000 ] - [ 0.0002892300000000, 0.0000487000000000, -0.0000836300000000 ] - [ -0.0001592200000000, -0.0000243500000000, 0.0002351900000000 ]- atom: 42 displacement: [ -0.0057565208649526, 0.0000000000000000, 0.0081769473235044 ] forces: - [ -0.0000044900000000, 0.0005015400000000, -0.0011851300000000 ] - [ 0.0006156500000000, -0.0000805300000000, -0.0014787400000000 ] - [ -0.0001288800000000, 0.0002936500000000, -0.0007316600000000 ] - [ 0.0021488400000000, -0.0000699500000000, 0.0001245600000000 ] - [ 0.0009646000000000, -0.0001211100000000, 0.0000889000000000 ] - [ 0.0018585200000000, 0.0006174900000000, -0.0013263600000000 ] - [ -0.0003605200000000, -0.0000814100000000, -0.0003226300000000 ] - [ -0.0002260700000000, 0.0002616100000000, 0.0015641800000000 ] - [ -0.0005486200000000, 0.0003383800000000, -0.0005386900000000 ] - [ -0.0009546500000000, 0.0000305600000000, -0.0001648600000000 ] - [ -0.0002571900000000, 0.0002579200000000, -0.0030271900000000 ] - [ 0.0001425300000000, 0.0000093000000000, 0.0008386200000000 ] - [ 0.0016195300000000, -0.0006937000000000, 0.0010271500000000 ] - [ -0.0001683700000000, 0.0002824100000000, 0.0008481100000000 ] - [ 0.0003520400000000, -0.0001173000000000, -0.0006353600000000 ] - [ 0.0010894200000000, 0.0000051600000000, -0.0007316900000000 ] - [ -0.0073027300000000, 0.0102578200000000, 0.0066913900000000 ] - [ -0.0001655300000000, -0.0002523500000000, -0.0000718300000000 ] - [ 0.0002963400000000, -0.0002245400000000, 0.0000557700000000 ] - [ 0.0023766000000000, 0.0032950600000000, 0.0038706700000000 ] - [ -0.0002328200000000, -0.0011428500000000, -0.0010933700000000 ] - [ 0.0008977300000000, -0.0000171100000000, -0.0017799400000000 ] - [ -0.0017072400000000, -0.0000932500000000, -0.0002122400000000 ] - [ -0.0003333400000000, -0.0000523700000000, 0.0002898200000000 ] - [ 0.0002461700000000, 0.0007749300000000, 0.0001898300000000 ] - [ 0.0003825200000000, -0.0005414700000000, -0.0007858100000000 ] - [ 0.0017331300000000, -0.0004944000000000, -0.0004666000000000 ] - [ -0.0021987200000000, 0.0012245600000000, 0.0050438400000000 ] - [ 0.0004417300000000, 0.0000757900000000, -0.0009226100000000 ] - [ -0.0000215400000000, -0.0001708500000000, 0.0000731100000000 ] - [ -0.0001796100000000, -0.0005586200000000, 0.0002240900000000 ] - [ -0.0005730300000000, 0.0000711200000000, -0.0001783800000000 ] - [ 0.0006488500000000, 0.0000935700000000, 0.0001527100000000 ] - [ 0.0012553600000000, 0.0002538600000000, -0.0008053100000000 ] - [ 0.0008340600000000, 0.0008676400000000, 0.0013616900000000 ] - [ -0.0019781300000000, -0.0009253500000000, -0.0012571700000000 ] - [ 0.0006447700000000, -0.0003053200000000, 0.0004257000000000 ] - [ 0.0011162500000000, 0.0005183800000000, -0.0001671200000000 ] - [ -0.0008279300000000, 0.0000124500000000, 0.0004258300000000 ] - [ -0.0013310900000000, 0.0017955900000000, 0.0031806900000000 ] - [ -0.0002668200000000, 0.0000498700000000, 0.0000287800000000 ] - [ 0.0172279100000000, -0.0235173000000000, -0.0301573700000000 ] - [ -0.0000412100000000, -0.0004600600000000, -0.0001614700000000 ] - [ 0.0025309600000000, 0.0021208900000000, 0.0018430700000000 ] - [ -0.0004604200000000, -0.0001619800000000, -0.0000019600000000 ] - [ -0.0039954500000000, 0.0003032800000000, 0.0067020600000000 ] - [ 0.0001175600000000, 0.0022047000000000, 0.0030028600000000 ] - [ -0.0002598800000000, -0.0003512000000000, 0.0001808700000000 ] - [ -0.0043214600000000, 0.0010831300000000, -0.0000736900000000 ] - [ 0.0000625700000000, -0.0002426800000000, 0.0003066700000000 ] - [ 0.0010555400000000, -0.0000349800000000, -0.0010159500000000 ] - [ 0.0001079700000000, 0.0000940200000000, 0.0000850700000000 ] - [ 0.0000810900000000, 0.0004209300000000, 0.0007551600000000 ] - [ -0.0006386600000000, 0.0000840100000000, 0.0005593700000000 ] - [ 0.0000170900000000, 0.0002890100000000, 0.0007638000000000 ] - [ -0.0014917600000000, 0.0004842300000000, -0.0015862400000000 ] - [ 0.0002733200000000, -0.0001444700000000, 0.0002129900000000 ] - [ 0.0000244200000000, 0.0001026600000000, 0.0006199300000000 ] - [ 0.0011018300000000, 0.0000403600000000, 0.0004061600000000 ] - [ 0.0006352900000000, 0.0001811900000000, 0.0002763500000000 ] - [ -0.0002439300000000, -0.0002181700000000, 0.0000399300000000 ] - [ 0.0000232800000000, 0.0001377200000000, 0.0003884700000000 ] - [ -0.0006692700000000, -0.0001058200000000, 0.0004539800000000 ] - [ -0.0008633000000000, 0.0001323500000000, 0.0009012200000000 ] - [ -0.0000728300000000, -0.0004184200000000, 0.0004613400000000 ] - [ -0.0007009600000000, -0.0003292300000000, 0.0002318700000000 ] - [ -0.0002681800000000, 0.0000486200000000, -0.0000509100000000 ] - [ -0.0002737700000000, 0.0001814600000000, 0.0003515600000000 ] - [ -0.0002351300000000, -0.0000477900000000, 0.0003277600000000 ] - [ -0.0005484800000000, 0.0001057800000000, 0.0001220300000000 ] - [ -0.0000066800000000, -0.0003170100000000, -0.0018099100000000 ] - [ -0.0007645100000000, 0.0004589300000000, 0.0000080800000000 ] - [ -0.0004039300000000, -0.0000617600000000, -0.0001320400000000 ] - [ -0.0002553900000000, 0.0004364100000000, 0.0005531500000000 ] - [ 0.0008358800000000, -0.0003042700000000, -0.0000859400000000 ] - [ -0.0009678700000000, -0.0003210600000000, -0.0005133500000000 ] - [ -0.0003090800000000, -0.0001153200000000, 0.0003269300000000 ] - [ -0.0003023500000000, 0.0002623800000000, 0.0001772800000000 ] - [ -0.0006831200000000, -0.0001737300000000, 0.0001231700000000 ] - [ -0.0000564200000000, -0.0001635500000000, -0.0001091800000000 ] - [ -0.0001916900000000, -0.0000686900000000, 0.0000962900000000 ] - [ -0.0001494600000000, 0.0000879300000000, 0.0005408600000000 ] - [ 0.0004023600000000, 0.0003159700000000, -0.0000074200000000 ] - [ 0.0004348600000000, 0.0002452500000000, -0.0007490000000000 ] - [ 0.0003825100000000, 0.0000291700000000, 0.0010102800000000 ] - [ -0.0001355800000000, 0.0001052300000000, 0.0001317500000000 ] - [ 0.0001037100000000, -0.0000439100000000, -0.0000423800000000 ] - [ -0.0007673800000000, 0.0002287600000000, 0.0016447600000000 ] - [ -0.0000142100000000, -0.0004678500000000, 0.0002543300000000 ] - [ 0.0002713300000000, 0.0000763500000000, 0.0002863100000000 ] - [ -0.0001494600000000, -0.0001956900000000, -0.0005237900000000 ] - [ -0.0004278900000000, 0.0002357600000000, 0.0009743300000000 ] - [ 0.0002364800000000, 0.0001352000000000, -0.0002568400000000 ] - [ 0.0000700400000000, 0.0001095200000000, -0.0003235000000000 ] - [ 0.0007973600000000, 0.0001469000000000, -0.0001974800000000 ] - [ -0.0001004200000000, -0.0004184100000000, -0.0001979700000000 ] - [ -0.0017311500000000, -0.0010018800000000, -0.0003770400000000 ] - [ 0.0001689800000000, 0.0003542400000000, 0.0006381600000000 ] - [ 0.0004135200000000, -0.0022977200000000, 0.0036289100000000 ] - [ 0.0002149500000000, 0.0002746500000000, -0.0004593200000000 ] - [ -0.0005894400000000, -0.0002438300000000, -0.0000019200000000 ] - [ -0.0003749200000000, 0.0002221800000000, -0.0005265600000000 ] - [ -0.0010713900000000, 0.0007206100000000, 0.0007676000000000 ] - [ 0.0001709400000000, 0.0002416900000000, -0.0004334300000000 ] - [ -0.0003693000000000, 0.0001572200000000, 0.0003153000000000 ] - [ -0.0010737500000000, -0.0002182400000000, -0.0007375700000000 ] - [ 0.0004616500000000, 0.0001790600000000, -0.0002410200000000 ] - [ -0.0031201300000000, 0.0026696000000000, 0.0033621700000000 ] - [ -0.0003432700000000, 0.0007488700000000, -0.0013318400000000 ] - [ 0.0000883600000000, -0.0000125500000000, -0.0004335300000000 ] - [ 0.0001998400000000, -0.0001801600000000, -0.0005869400000000 ] - [ 0.0010345800000000, 0.0002353400000000, 0.0006706900000000 ]- atom: 42 displacement: [ 0.0057565208649526, 0.0000000000000000, -0.0081769473235044 ] forces: - [ 0.0000003500000000, 0.0003648300000000, 0.0011894400000000 ] - [ -0.0011453000000000, -0.0000635800000000, 0.0007758400000000 ] - [ -0.0001102000000000, 0.0003060100000000, -0.0004950600000000 ] - [ -0.0024096900000000, 0.0001424400000000, 0.0002830500000000 ] - [ -0.0009751900000000, -0.0003250700000000, -0.0000864100000000 ] - [ -0.0016253700000000, -0.0000141400000000, 0.0025630400000000 ] - [ 0.0008800400000000, -0.0000628500000000, 0.0010330500000000 ] - [ 0.0004696600000000, -0.0001952200000000, -0.0019824300000000 ] - [ 0.0005557900000000, 0.0005291200000000, 0.0005414800000000 ] - [ 0.0004395000000000, -0.0001752600000000, -0.0005472900000000 ] - [ 0.0000358700000000, 0.0003450200000000, 0.0018255500000000 ] - [ -0.0003844200000000, 0.0000582000000000, -0.0004233100000000 ] - [ -0.0016151500000000, 0.0002486400000000, -0.0010476200000000 ] - [ 0.0004069700000000, 0.0003174700000000, 0.0003772000000000 ] - [ 0.0001735400000000, -0.0000257900000000, 0.0013523900000000 ] - [ -0.0008602500000000, 0.0000621300000000, 0.0003203400000000 ] - [ 0.0073774900000000, -0.0099079400000000, -0.0062077300000000 ] - [ -0.0003297700000000, -0.0002256200000000, -0.0000343000000000 ] - [ 0.0001986200000000, -0.0001787600000000, 0.0000594000000000 ] - [ -0.0028816000000000, -0.0037419000000000, -0.0038778800000000 ] - [ 0.0000320300000000, -0.0000367300000000, 0.0018618500000000 ] - [ -0.0015310700000000, 0.0000644400000000, 0.0012231400000000 ] - [ 0.0024041400000000, 0.0002970500000000, 0.0012354300000000 ] - [ 0.0009591900000000, 0.0001023600000000, 0.0002802700000000 ] - [ -0.0013199000000000, 0.0003689100000000, -0.0001543900000000 ] - [ -0.0001924900000000, -0.0006366600000000, 0.0000314900000000 ] - [ -0.0010817900000000, 0.0000234300000000, 0.0004312200000000 ] - [ 0.0033215400000000, -0.0000748500000000, -0.0051123800000000 ] - [ -0.0011466400000000, 0.0001278700000000, -0.0000943400000000 ] - [ -0.0006480700000000, -0.0003012300000000, -0.0000174000000000 ] - [ -0.0000120800000000, -0.0006197900000000, 0.0005315900000000 ] - [ -0.0000521500000000, -0.0000218000000000, -0.0003939400000000 ] - [ 0.0000470500000000, 0.0001104000000000, 0.0008667200000000 ] - [ -0.0006353200000000, -0.0002059200000000, 0.0013868800000000 ] - [ -0.0019267700000000, 0.0002713500000000, -0.0013240100000000 ] - [ 0.0022030400000000, -0.0002453800000000, 0.0005050500000000 ] - [ 0.0000216800000000, -0.0001669600000000, -0.0004854600000000 ] - [ -0.0000508500000000, 0.0006277000000000, 0.0001283400000000 ] - [ 0.0001335200000000, 0.0001912000000000, -0.0014537500000000 ] - [ 0.0007642000000000, -0.0023293600000000, -0.0033107400000000 ] - [ -0.0000347100000000, 0.0001001700000000, -0.0001918700000000 ] - [ -0.0172187500000000, 0.0219761400000000, 0.0301481800000000 ] - [ 0.0002864700000000, -0.0003352900000000, -0.0001395100000000 ] - [ -0.0021227300000000, -0.0025498900000000, -0.0015015700000000 ] - [ 0.0000526500000000, -0.0002694300000000, -0.0003176400000000 ] - [ 0.0042493800000000, -0.0001518400000000, -0.0064506400000000 ] - [ -0.0004251100000000, -0.0020702600000000, -0.0031792500000000 ] - [ 0.0000174200000000, -0.0004371200000000, 0.0001281300000000 ] - [ 0.0045971500000000, -0.0018351300000000, -0.0002493100000000 ] - [ 0.0003425300000000, -0.0001918000000000, 0.0000076700000000 ] - [ -0.0014501100000000, -0.0003939600000000, 0.0007173000000000 ] - [ 0.0001967700000000, 0.0000574500000000, 0.0000701500000000 ] - [ 0.0004400400000000, 0.0001571600000000, -0.0008415700000000 ] - [ 0.0010835700000000, 0.0003188000000000, -0.0017709800000000 ] - [ -0.0000004500000000, 0.0001814700000000, 0.0002174300000000 ] - [ 0.0019760700000000, -0.0006286000000000, 0.0019136600000000 ] - [ -0.0003725000000000, 0.0001311600000000, -0.0007450200000000 ] - [ -0.0004624800000000, 0.0002972600000000, 0.0005833700000000 ] - [ -0.0007182400000000, -0.0009112400000000, -0.0003897800000000 ] - [ 0.0001726300000000, 0.0000655100000000, -0.0005650900000000 ] - [ 0.0007859900000000, -0.0002463700000000, 0.0001931800000000 ] - [ -0.0004021600000000, 0.0000938800000000, 0.0001555000000000 ] - [ 0.0007968300000000, 0.0002889200000000, -0.0004173300000000 ] - [ 0.0000615000000000, 0.0001150700000000, -0.0006184800000000 ] - [ 0.0009761700000000, 0.0004093300000000, -0.0004437100000000 ] - [ 0.0003223300000000, -0.0005443600000000, -0.0002492900000000 ] - [ 0.0003071400000000, 0.0002388200000000, 0.0002124400000000 ] - [ -0.0002426800000000, 0.0003995400000000, -0.0002695200000000 ] - [ -0.0001090900000000, -0.0000819900000000, 0.0003742500000000 ] - [ 0.0009510700000000, 0.0003491100000000, -0.0005474700000000 ] - [ -0.0005519200000000, -0.0001428700000000, 0.0015828800000000 ] - [ 0.0007346000000000, -0.0001763800000000, -0.0001723200000000 ] - [ -0.0004978400000000, 0.0000505600000000, 0.0001101100000000 ] - [ 0.0002442900000000, 0.0000388200000000, -0.0015374700000000 ] - [ -0.0009562300000000, 0.0004841000000000, 0.0000459500000000 ] - [ 0.0004796800000000, 0.0001788500000000, 0.0001944600000000 ] - [ 0.0006905100000000, 0.0003453400000000, -0.0008746000000000 ] - [ -0.0000951300000000, 0.0001879200000000, 0.0002400800000000 ] - [ -0.0000283700000000, -0.0000055800000000, 0.0000419800000000 ] - [ 0.0007780900000000, -0.0000175700000000, -0.0000633600000000 ] - [ 0.0005394800000000, -0.0000682500000000, -0.0008058900000000 ] - [ 0.0002547800000000, -0.0001024100000000, -0.0000109700000000 ] - [ 0.0001135400000000, 0.0002645700000000, -0.0000756400000000 ] - [ 0.0000019700000000, 0.0001544800000000, -0.0004532900000000 ] - [ -0.0003755900000000, 0.0004446600000000, -0.0000302200000000 ] - [ 0.0006327600000000, -0.0002501900000000, 0.0001931800000000 ] - [ -0.0002087800000000, 0.0000298700000000, -0.0004904100000000 ] - [ 0.0003324000000000, 0.0001710200000000, -0.0004514900000000 ] - [ 0.0003990500000000, -0.0004043100000000, -0.0002401000000000 ] - [ 0.0005346900000000, 0.0001713400000000, -0.0005762900000000 ] - [ 0.0006954500000000, -0.0002696900000000, 0.0007559200000000 ] - [ 0.0000480500000000, -0.0000044900000000, -0.0004386200000000 ] - [ -0.0001171200000000, 0.0000450700000000, 0.0002987300000000 ] - [ -0.0008815200000000, 0.0001374800000000, 0.0006167200000000 ] - [ 0.0001041700000000, -0.0001591300000000, 0.0002211000000000 ] - [ -0.0002829500000000, -0.0004531400000000, 0.0001841800000000 ] - [ 0.0017922500000000, 0.0013125500000000, 0.0005649400000000 ] - [ -0.0006957500000000, 0.0002246100000000, -0.0005588000000000 ] - [ -0.0007786600000000, 0.0022126900000000, -0.0029838300000000 ] - [ 0.0001833400000000, 0.0001749000000000, 0.0000426200000000 ] - [ 0.0000530800000000, -0.0002204500000000, -0.0002275400000000 ] - [ 0.0003387000000000, 0.0000650800000000, 0.0003683500000000 ] - [ 0.0001746600000000, -0.0007416400000000, -0.0007988100000000 ] - [ -0.0001885200000000, 0.0002289000000000, -0.0005499200000000 ] - [ 0.0002515500000000, 0.0000231600000000, -0.0003571900000000 ] - [ 0.0005908300000000, 0.0000792100000000, 0.0004152100000000 ] - [ -0.0000831000000000, 0.0000526800000000, -0.0003024700000000 ] - [ 0.0027820200000000, -0.0022782400000000, -0.0030101100000000 ] - [ -0.0003795400000000, -0.0009523300000000, 0.0015320500000000 ] - [ 0.0006248900000000, -0.0001665900000000, 0.0002714600000000 ] - [ 0.0001449400000000, 0.0000517000000000, -0.0001139300000000 ] - [ -0.0009456200000000, -0.0002525600000000, -0.0001442000000000 ]- atom: 44 displacement: [ 0.0099999987502926, 0.0000000000000000, -0.0000049994145799 ] forces: - [ 0.0021946700000000, -0.0002578100000000, 0.0014530100000000 ] - [ -0.0007852900000000, 0.0000819800000000, 0.0021122500000000 ] - [ 0.0002716500000000, 0.0003977500000000, -0.0011089600000000 ] - [ -0.0013359200000000, 0.0006460500000000, 0.0033218400000000 ] - [ -0.0011468300000000, -0.0002686200000000, -0.0005681700000000 ] - [ -0.0024843200000000, 0.0003169100000000, 0.0025001700000000 ] - [ 0.0027790700000000, 0.0003550700000000, -0.0016386200000000 ] - [ -0.0037786600000000, 0.0000347900000000, -0.0023310400000000 ] - [ -0.0002718300000000, 0.0005265300000000, -0.0001829000000000 ] - [ -0.0006792600000000, -0.0000485500000000, -0.0011934700000000 ] - [ -0.0000485900000000, 0.0001778800000000, 0.0004531700000000 ] - [ -0.0006656600000000, -0.0000253800000000, -0.0007049700000000 ] - [ -0.0031114000000000, -0.0009747000000000, 0.0008657000000000 ] - [ -0.0006603000000000, 0.0001474100000000, -0.0000608000000000 ] - [ -0.0004990600000000, -0.0000407600000000, 0.0006213900000000 ] - [ -0.0014181000000000, 0.0001855900000000, -0.0002970200000000 ] - [ 0.0084512600000000, 0.0046734200000000, 0.0080171400000000 ] - [ -0.0003498500000000, -0.0002790600000000, 0.0000114300000000 ] - [ 0.0001182300000000, -0.0002134900000000, 0.0000258000000000 ] - [ -0.0002327000000000, 0.0001102200000000, -0.0007265000000000 ] - [ 0.0032096400000000, 0.0000421100000000, 0.0025126800000000 ] - [ -0.0010938400000000, 0.0002601600000000, 0.0012382000000000 ] - [ 0.0052541000000000, 0.0000378600000000, -0.0017285800000000 ] - [ -0.0006503300000000, 0.0001379000000000, -0.0014458200000000 ] - [ -0.0024218500000000, 0.0005994000000000, 0.0006336600000000 ] - [ 0.0005615900000000, -0.0004580500000000, 0.0003582200000000 ] - [ -0.0018398800000000, -0.0006968200000000, -0.0015653200000000 ] - [ 0.0029110800000000, -0.0017933600000000, -0.0036241800000000 ] - [ -0.0008731900000000, 0.0000187200000000, 0.0008078400000000 ] - [ -0.0007841800000000, -0.0003143000000000, -0.0002622500000000 ] - [ -0.0010868100000000, -0.0004345300000000, 0.0000290500000000 ] - [ -0.0003934500000000, -0.0002158900000000, -0.0011239700000000 ] - [ -0.0003987100000000, 0.0000255400000000, 0.0005435600000000 ] - [ -0.0010002300000000, -0.0001794000000000, 0.0011794700000000 ] - [ -0.0010541100000000, -0.0001693200000000, -0.0010477200000000 ] - [ 0.0006473300000000, -0.0004715800000000, -0.0003585600000000 ] - [ -0.0011563700000000, -0.0002216300000000, -0.0007953700000000 ] - [ -0.0003627900000000, 0.0006892600000000, -0.0001214600000000 ] - [ -0.0004965100000000, 0.0001964000000000, -0.0015401200000000 ] - [ 0.0021573400000000, -0.0012756500000000, 0.0029036900000000 ] - [ -0.0000700200000000, 0.0001056000000000, -0.0001968600000000 ] - [ -0.0009590200000000, 0.0017564500000000, 0.0024156100000000 ] - [ 0.0004614500000000, -0.0002745200000000, -0.0002189800000000 ] - [ -0.0406911900000000, -0.0156464900000000, 0.0037603900000000 ] - [ 0.0002027600000000, -0.0002875800000000, -0.0007409600000000 ] - [ 0.0064144200000000, 0.0053935100000000, -0.0045454600000000 ] - [ -0.0006598100000000, 0.0001563200000000, 0.0001691600000000 ] - [ 0.0001226700000000, -0.0004552300000000, 0.0001516500000000 ] - [ 0.0045528100000000, -0.0005002400000000, 0.0044910100000000 ] - [ 0.0005055000000000, -0.0001366600000000, 0.0000660700000000 ] - [ -0.0004456400000000, -0.0001825600000000, 0.0003657300000000 ] - [ 0.0004965100000000, 0.0000486100000000, 0.0001012700000000 ] - [ 0.0002421500000000, -0.0020876400000000, -0.0033303800000000 ] - [ 0.0011374100000000, 0.0001893600000000, -0.0019415800000000 ] - [ -0.0005793100000000, 0.0001687700000000, 0.0002865500000000 ] - [ 0.0042385000000000, -0.0015000100000000, -0.0027394700000000 ] - [ -0.0031013000000000, 0.0003117600000000, -0.0021174100000000 ] - [ -0.0004980200000000, 0.0003114000000000, 0.0014755800000000 ] - [ 0.0025157900000000, -0.0025404000000000, 0.0037805600000000 ] - [ -0.0015258000000000, -0.0002069000000000, 0.0020584900000000 ] - [ 0.0014825700000000, -0.0003773000000000, -0.0006806000000000 ] - [ -0.0002314200000000, -0.0000103200000000, 0.0007055000000000 ] - [ 0.0005250200000000, 0.0001839800000000, -0.0009061400000000 ] - [ -0.0001298800000000, -0.0000051500000000, -0.0011906900000000 ] - [ 0.0013224300000000, 0.0002958700000000, -0.0002656900000000 ] - [ 0.0000399400000000, -0.0004879700000000, -0.0007117600000000 ] - [ 0.0004210000000000, 0.0002508700000000, 0.0003561200000000 ] - [ -0.0007446700000000, 0.0003914100000000, -0.0000652300000000 ] - [ -0.0002505300000000, -0.0002151400000000, 0.0005293800000000 ] - [ 0.0011840700000000, 0.0004109000000000, -0.0001553000000000 ] - [ 0.0040829800000000, 0.0040975000000000, -0.0029354800000000 ] - [ 0.0011979800000000, -0.0002517700000000, 0.0003939500000000 ] - [ -0.0003852300000000, 0.0002379700000000, 0.0004494500000000 ] - [ 0.0008062200000000, 0.0024893700000000, -0.0038557500000000 ] - [ 0.0009148900000000, 0.0014471500000000, 0.0022218000000000 ] - [ 0.0008530500000000, 0.0006399900000000, -0.0006238800000000 ] - [ 0.0007456200000000, 0.0004165100000000, -0.0009276200000000 ] - [ -0.0000590500000000, 0.0002282800000000, 0.0004387500000000 ] - [ 0.0000466200000000, -0.0000176100000000, 0.0002364300000000 ] - [ 0.0007530500000000, 0.0002136200000000, 0.0005044800000000 ] - [ 0.0024922000000000, 0.0002012800000000, 0.0005151800000000 ] - [ -0.0004790100000000, -0.0001665300000000, -0.0005565400000000 ] - [ 0.0005590900000000, 0.0002812900000000, 0.0001739500000000 ] - [ 0.0002518700000000, 0.0002248500000000, -0.0001038500000000 ] - [ 0.0000549100000000, 0.0002555100000000, 0.0004025800000000 ] - [ 0.0008832000000000, -0.0003111400000000, 0.0004326300000000 ] - [ 0.0005280100000000, -0.0001326800000000, -0.0000394900000000 ] - [ 0.0003791400000000, 0.0000362500000000, -0.0000867100000000 ] - [ 0.0006975700000000, -0.0003041500000000, 0.0000170700000000 ] - [ 0.0007601200000000, 0.0001334300000000, -0.0004090700000000 ] - [ 0.0008589900000000, -0.0001876700000000, 0.0008333800000000 ] - [ 0.0000805500000000, 0.0001114600000000, -0.0001585100000000 ] - [ 0.0001576800000000, 0.0001613600000000, 0.0004588700000000 ] - [ -0.0004657700000000, 0.0001886400000000, 0.0006241400000000 ] - [ 0.0010030200000000, -0.0002728600000000, 0.0008660600000000 ] - [ 0.0000062400000000, -0.0005265700000000, 0.0003943100000000 ] - [ -0.0006728000000000, 0.0001799700000000, -0.0011442300000000 ] - [ -0.0002852900000000, 0.0002611300000000, -0.0000483600000000 ] - [ -0.0005211200000000, 0.0005127600000000, -0.0009564500000000 ] - [ 0.0009587900000000, 0.0003905300000000, 0.0001760300000000 ] - [ 0.0002495600000000, -0.0001857100000000, 0.0000193800000000 ] - [ 0.0013085200000000, -0.0003131400000000, 0.0004723700000000 ] - [ -0.0003460900000000, -0.0005262400000000, -0.0010097900000000 ] - [ 0.0002829300000000, 0.0003497600000000, -0.0003161000000000 ] - [ 0.0004815800000000, -0.0000695500000000, -0.0001389400000000 ] - [ 0.0002933200000000, 0.0000025000000000, 0.0002975100000000 ] - [ 0.0007710700000000, 0.0002938000000000, 0.0004332300000000 ] - [ -0.0006185500000000, 0.0001572800000000, -0.0009737900000000 ] - [ 0.0052595000000000, 0.0035577400000000, -0.0045773400000000 ] - [ 0.0018121000000000, -0.0003323900000000, -0.0002615400000000 ] - [ 0.0007861300000000, 0.0002134600000000, 0.0003427000000000 ] - [ 0.0000620600000000, -0.0000681200000000, 0.0003502000000000 ]- atom: 44 displacement: [ -0.0099999987502926, 0.0000000000000000, 0.0000049994145799 ] forces: - [ -0.0022180300000000, 0.0011209500000000, -0.0014503200000000 ] - [ 0.0002675200000000, -0.0002253500000000, -0.0028270000000000 ] - [ -0.0005097300000000, 0.0002016600000000, -0.0001165700000000 ] - [ 0.0011073200000000, -0.0005785600000000, -0.0028964200000000 ] - [ 0.0011415300000000, -0.0001789800000000, 0.0005714000000000 ] - [ 0.0027342000000000, 0.0002793300000000, -0.0012677700000000 ] - [ -0.0022480200000000, -0.0004968800000000, 0.0023656600000000 ] - [ 0.0040042000000000, 0.0000349800000000, 0.0018894400000000 ] - [ 0.0002719700000000, 0.0003396800000000, 0.0001792600000000 ] - [ 0.0001562500000000, -0.0000948600000000, 0.0004845600000000 ] - [ -0.0001803400000000, 0.0004207000000000, -0.0016839100000000 ] - [ 0.0004269300000000, 0.0000928300000000, 0.0011262900000000 ] - [ 0.0031048300000000, 0.0005290900000000, -0.0008581800000000 ] - [ 0.0008958100000000, 0.0004522100000000, 0.0012842900000000 ] - [ 0.0010243300000000, -0.0001027100000000, 0.0000822500000000 ] - [ 0.0016522500000000, -0.0001186700000000, -0.0001213600000000 ] - [ -0.0084101600000000, -0.0055770400000000, -0.0084283000000000 ] - [ -0.0001397500000000, -0.0002002000000000, -0.0001023300000000 ] - [ 0.0003761400000000, -0.0001935800000000, 0.0000707700000000 ] - [ -0.0002642700000000, -0.0005888500000000, 0.0006288200000000 ] - [ -0.0034914400000000, -0.0012085300000000, -0.0016970300000000 ] - [ 0.0004764900000000, -0.0002121000000000, -0.0018117700000000 ] - [ -0.0045205800000000, 0.0001496400000000, 0.0027817100000000 ] - [ 0.0012742100000000, -0.0000929600000000, 0.0020144400000000 ] - [ 0.0013454500000000, 0.0005464600000000, -0.0005976600000000 ] - [ -0.0003744700000000, -0.0007203000000000, -0.0011151800000000 ] - [ 0.0025018500000000, 0.0002319100000000, 0.0015341900000000 ] - [ -0.0017502600000000, 0.0029564000000000, 0.0034481100000000 ] - [ 0.0001768700000000, 0.0001847100000000, -0.0018246200000000 ] - [ 0.0001172500000000, -0.0001591200000000, 0.0003174900000000 ] - [ 0.0008932200000000, -0.0007428900000000, 0.0007252100000000 ] - [ -0.0002310800000000, 0.0002635300000000, 0.0005524400000000 ] - [ 0.0010951700000000, 0.0001784900000000, 0.0004723400000000 ] - [ 0.0016297300000000, 0.0002275600000000, -0.0006096100000000 ] - [ -0.0000367900000000, 0.0013151900000000, 0.0010820400000000 ] - [ -0.0004508800000000, -0.0007047200000000, -0.0004041100000000 ] - [ 0.0018169200000000, -0.0002523700000000, 0.0007335000000000 ] - [ 0.0014314200000000, 0.0004568500000000, 0.0000862000000000 ] - [ -0.0002022100000000, 0.0000080700000000, 0.0005195600000000 ] - [ -0.0028066900000000, 0.0008021100000000, -0.0028498800000000 ] - [ -0.0002313500000000, 0.0000431400000000, 0.0000284800000000 ] - [ 0.0007106900000000, -0.0025295200000000, -0.0020827700000000 ] - [ -0.0002202700000000, -0.0005237700000000, -0.0000834800000000 ] - [ 0.0414395800000000, 0.0156804400000000, -0.0028317300000000 ] - [ -0.0006169300000000, -0.0001407500000000, 0.0004166100000000 ] - [ -0.0061741000000000, -0.0053270300000000, 0.0047561300000000 ] - [ 0.0003546800000000, -0.0000051400000000, -0.0003332100000000 ] - [ -0.0003612200000000, -0.0003332600000000, 0.0001616700000000 ] - [ -0.0043456000000000, -0.0002798000000000, -0.0048538800000000 ] - [ -0.0000970100000000, -0.0002966600000000, 0.0002507600000000 ] - [ 0.0000321600000000, -0.0002468300000000, -0.0006868400000000 ] - [ -0.0001898700000000, 0.0001037600000000, 0.0000585200000000 ] - [ 0.0002746800000000, 0.0027083300000000, 0.0032876100000000 ] - [ -0.0007044100000000, 0.0002101900000000, 0.0007404100000000 ] - [ 0.0005986800000000, 0.0003011000000000, 0.0006935600000000 ] - [ -0.0036786700000000, 0.0013266600000000, 0.0029831200000000 ] - [ 0.0030416700000000, -0.0003248300000000, 0.0015645500000000 ] - [ 0.0000575100000000, 0.0000897100000000, -0.0002702700000000 ] - [ -0.0021134000000000, 0.0016286200000000, -0.0037263000000000 ] - [ 0.0023352400000000, 0.0004439400000000, -0.0023600200000000 ] - [ -0.0009427800000000, -0.0000890600000000, 0.0009060400000000 ] - [ -0.0001503800000000, 0.0002419900000000, -0.0001637900000000 ] - [ -0.0004062900000000, -0.0000026700000000, 0.0009461000000000 ] - [ -0.0006748900000000, 0.0002522200000000, 0.0014803500000000 ] - [ -0.0004243900000000, -0.0003062800000000, 0.0002876500000000 ] - [ -0.0004260900000000, -0.0003840700000000, 0.0006949900000000 ] - [ -0.0003839300000000, 0.0000353500000000, -0.0001953100000000 ] - [ 0.0002282900000000, 0.0001879800000000, 0.0001480800000000 ] - [ -0.0000931300000000, 0.0000859000000000, 0.0001729800000000 ] - [ -0.0007834700000000, 0.0000425400000000, -0.0002709900000000 ] - [ -0.0045312000000000, -0.0044607900000000, 0.0026434500000000 ] - [ -0.0012343200000000, 0.0005356400000000, -0.0005602800000000 ] - [ -0.0005162400000000, -0.0002479300000000, -0.0004714400000000 ] - [ -0.0008315100000000, -0.0020573900000000, 0.0029075200000000 ] - [ -0.0010199400000000, -0.0012281300000000, -0.0022380300000000 ] - [ -0.0013422700000000, -0.0007769500000000, 0.0002962400000000 ] - [ -0.0003689900000000, -0.0001850500000000, 0.0003849200000000 ] - [ -0.0003410700000000, 0.0002244400000000, -0.0000189000000000 ] - [ -0.0007565700000000, -0.0001619400000000, -0.0000722300000000 ] - [ -0.0000370100000000, -0.0003957500000000, -0.0006766100000000 ] - [ -0.0021669000000000, -0.0003362000000000, -0.0012354900000000 ] - [ 0.0005848200000000, 0.0001526400000000, 0.0010881500000000 ] - [ -0.0000402100000000, 0.0002984300000000, -0.0002575600000000 ] - [ 0.0001867200000000, 0.0001752400000000, -0.0010998700000000 ] - [ -0.0000402600000000, 0.0002149000000000, 0.0005817200000000 ] - [ -0.0003881600000000, 0.0001688200000000, -0.0001082700000000 ] - [ -0.0006288500000000, 0.0001177200000000, -0.0004899900000000 ] - [ -0.0008211400000000, 0.0003639400000000, 0.0012936400000000 ] - [ -0.0003130500000000, -0.0005676900000000, -0.0000002900000000 ] - [ 0.0000454600000000, 0.0001133900000000, 0.0001240200000000 ] - [ -0.0003168200000000, -0.0002785600000000, -0.0006044300000000 ] - [ -0.0004650500000000, 0.0001220200000000, 0.0007007800000000 ] - [ -0.0000367300000000, 0.0000201300000000, -0.0004183000000000 ] - [ -0.0003410900000000, 0.0000579800000000, -0.0003358600000000 ] - [ -0.0001050300000000, 0.0002622900000000, -0.0008429600000000 ] - [ -0.0003900600000000, -0.0003458300000000, -0.0004099700000000 ] - [ 0.0007001200000000, 0.0001018400000000, 0.0013007400000000 ] - [ -0.0002353200000000, 0.0003174500000000, 0.0001358800000000 ] - [ 0.0001727200000000, -0.0006435200000000, 0.0016575900000000 ] - [ -0.0005556500000000, 0.0000622300000000, -0.0005943800000000 ] - [ -0.0007863100000000, -0.0002785700000000, -0.0002478100000000 ] - [ -0.0013403500000000, 0.0005987500000000, -0.0006283900000000 ] - [ -0.0005594600000000, 0.0005173200000000, 0.0009873800000000 ] - [ -0.0002999300000000, 0.0001194300000000, -0.0006646800000000 ] - [ -0.0006020900000000, 0.0002507000000000, 0.0000991600000000 ] - [ -0.0007809400000000, -0.0001409800000000, -0.0006215900000000 ] - [ -0.0003890900000000, -0.0000605400000000, -0.0009739200000000 ] - [ 0.0002120000000000, 0.0002980600000000, 0.0013944200000000 ] - [ -0.0059649000000000, -0.0037280300000000, 0.0047307200000000 ] - [ -0.0010955200000000, 0.0001515600000000, 0.0000986900000000 ] - [ -0.0004399100000000, -0.0003409200000000, -0.0010418100000000 ] - [ 0.0000379200000000, 0.0000539800000000, 0.0001810800000000 ]- atom: 44 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005319800000000, 0.0002632000000000, -0.0000602600000000 ] - [ -0.0001136600000000, -0.0001471300000000, 0.0000064900000000 ] - [ -0.0001391800000000, 0.0003395600000000, -0.0008807300000000 ] - [ -0.0002474700000000, 0.0002332300000000, 0.0008788000000000 ] - [ -0.0003896500000000, -0.0002178200000000, -0.0001303100000000 ] - [ -0.0003496900000000, 0.0004153600000000, 0.0017576400000000 ] - [ 0.0004759400000000, -0.0001680700000000, -0.0008550300000000 ] - [ -0.0006284100000000, 0.0002558200000000, -0.0000272300000000 ] - [ -0.0001234600000000, 0.0004562400000000, -0.0001485200000000 ] - [ -0.0005058200000000, -0.0000637200000000, -0.0006629800000000 ] - [ 0.0000266700000000, 0.0002655300000000, -0.0005027000000000 ] - [ -0.0003997400000000, 0.0000017200000000, -0.0001071800000000 ] - [ -0.0005806100000000, -0.0013600400000000, 0.0002377900000000 ] - [ -0.0002002000000000, 0.0002312400000000, 0.0004523900000000 ] - [ 0.0001017800000000, -0.0000657000000000, 0.0003544400000000 ] - [ -0.0003037300000000, 0.0000436800000000, -0.0002048600000000 ] - [ 0.0071258200000000, 0.0018283100000000, 0.0070011100000000 ] - [ -0.0002685400000000, -0.0002527100000000, -0.0000579600000000 ] - [ 0.0002121100000000, -0.0002089500000000, 0.0000408600000000 ] - [ -0.0007167400000000, -0.0004040800000000, -0.0003238800000000 ] - [ 0.0002859600000000, -0.0004517200000000, 0.0014530900000000 ] - [ -0.0003570800000000, 0.0000681500000000, 0.0000141100000000 ] - [ 0.0008629800000000, 0.0002558800000000, -0.0004704000000000 ] - [ -0.0001391200000000, 0.0002886400000000, -0.0001468100000000 ] - [ -0.0008520900000000, 0.0006560900000000, 0.0001807300000000 ] - [ 0.0001980200000000, -0.0005250600000000, -0.0003744200000000 ] - [ -0.0002179200000000, -0.0000096200000000, -0.0001351400000000 ] - [ 0.0004240400000000, 0.0019016200000000, -0.0015186500000000 ] - [ -0.0003567800000000, 0.0000692700000000, -0.0003248500000000 ] - [ -0.0005328800000000, -0.0002350800000000, -0.0001632800000000 ] - [ -0.0003977500000000, -0.0005457900000000, 0.0002653400000000 ] - [ -0.0004891600000000, -0.0000395600000000, -0.0005940100000000 ] - [ 0.0001568400000000, 0.0000862500000000, 0.0004948000000000 ] - [ 0.0000926000000000, -0.0000168700000000, 0.0004890800000000 ] - [ -0.0009531200000000, 0.0002699100000000, -0.0002571700000000 ] - [ 0.0001661900000000, -0.0005620600000000, -0.0005366100000000 ] - [ -0.0000451300000000, -0.0002316600000000, -0.0001681300000000 ] - [ 0.0002791800000000, 0.0006094700000000, -0.0000775500000000 ] - [ -0.0004941800000000, 0.0001487700000000, -0.0008483200000000 ] - [ 0.0005019200000000, -0.0004601100000000, 0.0006266500000000 ] - [ -0.0001272400000000, 0.0000811300000000, -0.0000553100000000 ] - [ -0.0001848700000000, 0.0049864400000000, 0.0029175100000000 ] - [ 0.0002017100000000, -0.0003783700000000, -0.0001592600000000 ] - [ -0.0153668000000000, -0.0214494400000000, -0.0038464900000000 ] - [ -0.0001325100000000, -0.0002408000000000, -0.0002636800000000 ] - [ 0.0056615500000000, 0.0041543900000000, -0.0036997300000000 ] - [ -0.0003313600000000, 0.0002250600000000, 0.0002662400000000 ] - [ -0.0000612800000000, -0.0004096800000000, 0.0001688300000000 ] - [ 0.0012092700000000, 0.0006376600000000, 0.0004035400000000 ] - [ 0.0002836300000000, -0.0001961300000000, 0.0001396900000000 ] - [ -0.0002397200000000, -0.0001611800000000, -0.0000353800000000 ] - [ 0.0002541300000000, 0.0000775900000000, 0.0000803500000000 ] - [ 0.0001832400000000, 0.0003152100000000, -0.0005251300000000 ] - [ 0.0002691400000000, 0.0001063200000000, -0.0009128700000000 ] - [ -0.0001150900000000, 0.0002295300000000, 0.0005443300000000 ] - [ -0.0016681200000000, -0.0001398400000000, 0.0022536700000000 ] - [ -0.0006040600000000, -0.0001571500000000, -0.0013909200000000 ] - [ -0.0001381000000000, 0.0001454200000000, 0.0008759800000000 ] - [ 0.0008664500000000, 0.0031524400000000, 0.0011136100000000 ] - [ 0.0002067900000000, -0.0003092300000000, 0.0003896400000000 ] - [ 0.0004828700000000, -0.0002691700000000, -0.0000308000000000 ] - [ -0.0000318400000000, 0.0000949800000000, 0.0004745000000000 ] - [ 0.0000782800000000, 0.0000961300000000, -0.0001328900000000 ] - [ -0.0004386600000000, 0.0000722700000000, 0.0000122200000000 ] - [ 0.0006141300000000, 0.0000911000000000, -0.0000437300000000 ] - [ -0.0002136900000000, -0.0004340100000000, -0.0001449300000000 ] - [ 0.0001943100000000, 0.0001964400000000, 0.0001873700000000 ] - [ -0.0003717800000000, 0.0002789900000000, 0.0002086000000000 ] - [ -0.0001278200000000, -0.0001391000000000, 0.0004908700000000 ] - [ 0.0005152400000000, 0.0001992400000000, -0.0002546500000000 ] - [ 0.0030428500000000, 0.0016120700000000, -0.0023960500000000 ] - [ 0.0002662200000000, 0.0000268500000000, -0.0000426000000000 ] - [ -0.0003570400000000, 0.0000771700000000, 0.0001690700000000 ] - [ -0.0003150600000000, -0.0002970300000000, -0.0003168700000000 ] - [ -0.0006094800000000, 0.0016774000000000, -0.0003009300000000 ] - [ -0.0001102600000000, 0.0001046900000000, -0.0002313800000000 ] - [ 0.0002296300000000, 0.0002520900000000, -0.0004843600000000 ] - [ -0.0001168700000000, 0.0002304900000000, 0.0003194500000000 ] - [ -0.0002169300000000, -0.0000844300000000, 0.0001536000000000 ] - [ 0.0005195400000000, -0.0000652100000000, -0.0000001100000000 ] - [ 0.0002464400000000, 0.0003312900000000, -0.0006334900000000 ] - [ -0.0000719900000000, 0.0000200600000000, 0.0001539500000000 ] - [ 0.0003723700000000, 0.0002858600000000, 0.0000354900000000 ] - [ 0.0002927500000000, 0.0002243700000000, -0.0004615700000000 ] - [ 0.0000168900000000, 0.0002401500000000, 0.0005495300000000 ] - [ 0.0004317800000000, -0.0001433600000000, 0.0002372500000000 ] - [ 0.0001279000000000, -0.0000528800000000, -0.0001740000000000 ] - [ -0.0001222700000000, 0.0001572600000000, 0.0004871100000000 ] - [ 0.0003139200000000, -0.0004005200000000, 0.0000150300000000 ] - [ 0.0004890700000000, 0.0001260400000000, -0.0001787800000000 ] - [ 0.0005617800000000, -0.0002428200000000, 0.0003637200000000 ] - [ -0.0001943800000000, 0.0001436600000000, 0.0001865600000000 ] - [ 0.0001495800000000, 0.0001263900000000, 0.0001718100000000 ] - [ -0.0003823600000000, 0.0001428700000000, 0.0002979200000000 ] - [ 0.0010110100000000, 0.0000666600000000, 0.0002561900000000 ] - [ -0.0000667500000000, -0.0004751000000000, 0.0001488200000000 ] - [ -0.0002937700000000, 0.0001292900000000, -0.0001923500000000 ] - [ -0.0002637500000000, 0.0002703100000000, 0.0001036600000000 ] - [ -0.0002747000000000, 0.0000242500000000, 0.0001599100000000 ] - [ 0.0003880100000000, 0.0002614500000000, -0.0001433600000000 ] - [ -0.0001159900000000, -0.0002119200000000, -0.0000706500000000 ] - [ 0.0003010300000000, 0.0000747800000000, -0.0000181500000000 ] - [ -0.0005001800000000, -0.0000909700000000, -0.0002182200000000 ] - [ 0.0001089600000000, 0.0002862300000000, -0.0004256900000000 ] - [ 0.0000737000000000, 0.0000456500000000, -0.0000427700000000 ] - [ -0.0000058600000000, 0.0000096600000000, -0.0000152900000000 ] - [ 0.0004325400000000, 0.0001539400000000, -0.0000475400000000 ] - [ -0.0004209500000000, 0.0002998300000000, 0.0000027100000000 ] - [ 0.0013266900000000, 0.0013000800000000, -0.0010075700000000 ] - [ 0.0007350400000000, -0.0001891600000000, -0.0002605700000000 ] - [ 0.0003579000000000, -0.0000211500000000, -0.0002099400000000 ] - [ 0.0001352800000000, -0.0000047100000000, 0.0003529400000000 ]- atom: 44 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005053400000000, 0.0005982200000000, 0.0000420400000000 ] - [ -0.0003973200000000, 0.0000026200000000, -0.0007107500000000 ] - [ -0.0000967300000000, 0.0002619300000000, -0.0003592600000000 ] - [ 0.0000312100000000, -0.0001726400000000, -0.0004698600000000 ] - [ 0.0003783800000000, -0.0002318600000000, 0.0001289400000000 ] - [ 0.0005887300000000, 0.0001846100000000, -0.0005302200000000 ] - [ 0.0000632000000000, 0.0000304700000000, 0.0015169700000000 ] - [ 0.0008508700000000, -0.0001781400000000, -0.0003382100000000 ] - [ 0.0001172200000000, 0.0004118400000000, 0.0001418100000000 ] - [ -0.0000309300000000, -0.0000795300000000, -0.0000529500000000 ] - [ -0.0002613600000000, 0.0003342300000000, -0.0007297500000000 ] - [ 0.0001540900000000, 0.0000639100000000, 0.0005190000000000 ] - [ 0.0005991900000000, 0.0009140100000000, -0.0002138300000000 ] - [ 0.0004179400000000, 0.0003655400000000, 0.0007724700000000 ] - [ 0.0004165100000000, -0.0000788900000000, 0.0003450400000000 ] - [ 0.0005334600000000, 0.0000236000000000, -0.0002173100000000 ] - [ -0.0069760600000000, -0.0023256200000000, -0.0071608100000000 ] - [ -0.0002242400000000, -0.0002254200000000, -0.0000422800000000 ] - [ 0.0002809900000000, -0.0001978500000000, 0.0000596400000000 ] - [ 0.0002312000000000, -0.0000641300000000, 0.0002239500000000 ] - [ -0.0004327200000000, -0.0007303400000000, -0.0006988800000000 ] - [ -0.0002614000000000, -0.0000199400000000, -0.0005877700000000 ] - [ -0.0001880000000000, 0.0000117900000000, 0.0014440200000000 ] - [ 0.0007293500000000, -0.0002363400000000, 0.0006922800000000 ] - [ -0.0002114900000000, 0.0004930300000000, -0.0001327900000000 ] - [ 0.0000025200000000, -0.0006520800000000, -0.0003911900000000 ] - [ 0.0008768300000000, -0.0004620300000000, 0.0000936000000000 ] - [ 0.0007255400000000, -0.0007338000000000, 0.0015258500000000 ] - [ -0.0003316800000000, 0.0001332900000000, -0.0006963800000000 ] - [ -0.0001377500000000, -0.0002368100000000, 0.0002093500000000 ] - [ 0.0001959100000000, -0.0006321800000000, 0.0004885200000000 ] - [ -0.0001466600000000, 0.0000858900000000, 0.0000096100000000 ] - [ 0.0005364400000000, 0.0001171600000000, 0.0005203800000000 ] - [ 0.0005328100000000, 0.0000665900000000, 0.0000800600000000 ] - [ -0.0001381400000000, 0.0008740600000000, 0.0002919900000000 ] - [ 0.0000200700000000, -0.0006177500000000, -0.0002292500000000 ] - [ 0.0007063600000000, -0.0002423800000000, 0.0001212200000000 ] - [ 0.0007863200000000, 0.0005386300000000, 0.0000369500000000 ] - [ -0.0002121500000000, 0.0000567900000000, -0.0001797300000000 ] - [ -0.0011742100000000, -0.0000025800000000, -0.0005904500000000 ] - [ -0.0001826900000000, 0.0000720000000000, -0.0001008000000000 ] - [ -0.0000478000000000, -0.0057994100000000, -0.0026775500000000 ] - [ 0.0000402200000000, -0.0004210600000000, -0.0001463600000000 ] - [ 0.0159528900000000, 0.0210859000000000, 0.0043494900000000 ] - [ -0.0002797400000000, -0.0001911700000000, -0.0000550900000000 ] - [ -0.0054205700000000, -0.0040233200000000, 0.0038737300000000 ] - [ 0.0000245400000000, -0.0000746700000000, -0.0004275600000000 ] - [ -0.0001788900000000, -0.0003817200000000, 0.0001440400000000 ] - [ -0.0009363400000000, -0.0014567000000000, -0.0006740600000000 ] - [ 0.0001266300000000, -0.0002378400000000, 0.0001785600000000 ] - [ -0.0001742800000000, -0.0002692900000000, -0.0002844700000000 ] - [ 0.0000618200000000, 0.0000789200000000, 0.0000760800000000 ] - [ 0.0003288600000000, 0.0002553600000000, 0.0004302300000000 ] - [ 0.0001642400000000, 0.0002919500000000, -0.0002891600000000 ] - [ 0.0001274100000000, 0.0002411100000000, 0.0004475500000000 ] - [ 0.0021497700000000, 0.0000162000000000, -0.0019463000000000 ] - [ 0.0004838500000000, 0.0001521600000000, 0.0008494500000000 ] - [ -0.0002936200000000, 0.0002506600000000, 0.0003411200000000 ] - [ -0.0004097300000000, -0.0039486700000000, -0.0010396600000000 ] - [ 0.0005726700000000, 0.0005554200000000, -0.0006181400000000 ] - [ 0.0000472700000000, -0.0001942800000000, 0.0002560800000000 ] - [ -0.0003373100000000, 0.0001365200000000, 0.0000811300000000 ] - [ 0.0000361200000000, 0.0000856600000000, 0.0001747900000000 ] - [ -0.0003750100000000, 0.0001743000000000, 0.0002841300000000 ] - [ 0.0002861300000000, -0.0001019000000000, 0.0000674500000000 ] - [ -0.0001757900000000, -0.0004398000000000, 0.0001293600000000 ] - [ -0.0001575200000000, 0.0000882500000000, -0.0000238200000000 ] - [ -0.0001523500000000, 0.0002970900000000, -0.0001117600000000 ] - [ -0.0002166600000000, 0.0000038000000000, 0.0002201500000000 ] - [ -0.0001119900000000, 0.0002585500000000, -0.0001719100000000 ] - [ -0.0035436300000000, -0.0020871200000000, 0.0021078300000000 ] - [ -0.0002936200000000, 0.0002547300000000, -0.0001184100000000 ] - [ -0.0005391200000000, -0.0000831900000000, -0.0001847100000000 ] - [ 0.0002913400000000, 0.0007705500000000, -0.0006720900000000 ] - [ 0.0005641500000000, -0.0015497100000000, 0.0002995900000000 ] - [ -0.0003889000000000, -0.0002468900000000, -0.0000964600000000 ] - [ 0.0001465700000000, -0.0000200900000000, -0.0000578400000000 ] - [ -0.0002824300000000, 0.0002257200000000, 0.0001077000000000 ] - [ -0.0004961700000000, -0.0000967700000000, 0.0000176000000000 ] - [ 0.0002035700000000, -0.0001168900000000, -0.0001717000000000 ] - [ 0.0000974400000000, -0.0004666900000000, -0.0000757300000000 ] - [ 0.0001646700000000, -0.0000315800000000, 0.0003794500000000 ] - [ 0.0001524700000000, 0.0002914600000000, -0.0001190500000000 ] - [ 0.0001501500000000, 0.0001762600000000, -0.0007381200000000 ] - [ 0.0000013000000000, 0.0002308400000000, 0.0004379100000000 ] - [ 0.0000641800000000, 0.0000018300000000, 0.0000883000000000 ] - [ -0.0002229100000000, 0.0000375700000000, -0.0003552600000000 ] - [ -0.0003158300000000, 0.0002414400000000, 0.0007194400000000 ] - [ 0.0000715200000000, -0.0004751700000000, 0.0000021700000000 ] - [ 0.0003195400000000, 0.0001212900000000, -0.0001098100000000 ] - [ -0.0000106600000000, -0.0002215200000000, -0.0001310700000000 ] - [ -0.0001855500000000, 0.0000898100000000, 0.0003574900000000 ] - [ -0.0000237800000000, 0.0000595800000000, -0.0001265000000000 ] - [ -0.0004217200000000, 0.0001053000000000, -0.0000041000000000 ] - [ -0.0000836000000000, -0.0000760000000000, -0.0002277600000000 ] - [ -0.0003104700000000, -0.0004035700000000, -0.0001586800000000 ] - [ 0.0003213100000000, 0.0001504900000000, 0.0003546700000000 ] - [ -0.0002544700000000, 0.0003061000000000, -0.0000135200000000 ] - [ -0.0000703800000000, -0.0001588800000000, 0.0005522100000000 ] - [ 0.0000223000000000, 0.0001962500000000, -0.0002841800000000 ] - [ -0.0004226500000000, -0.0002521300000000, -0.0001552400000000 ] - [ -0.0003303500000000, 0.0002042600000000, -0.0001517400000000 ] - [ -0.0004032200000000, 0.0000826800000000, 0.0001975100000000 ] - [ -0.0001201800000000, 0.0001869600000000, -0.0005558800000000 ] - [ -0.0001928500000000, 0.0001379200000000, 0.0000035900000000 ] - [ -0.0004755200000000, -0.0001475300000000, -0.0003047900000000 ] - [ -0.0000381300000000, 0.0000824200000000, -0.0004837400000000 ] - [ 0.0000189700000000, 0.0001558700000000, 0.0004252100000000 ] - [ -0.0021157900000000, -0.0015167400000000, 0.0012080500000000 ] - [ -0.0000163200000000, 0.0000091500000000, 0.0000800200000000 ] - [ -0.0000058200000000, -0.0001123800000000, -0.0004957900000000 ] - [ -0.0000264900000000, -0.0000075800000000, 0.0001847500000000 ]- atom: 44 displacement: [ -0.0057565208649526, 0.0000000000000000, 0.0081769473235044 ] forces: - [ -0.0011629900000000, 0.0015332000000000, -0.0036214300000000 ] - [ 0.0017180300000000, -0.0003502800000000, -0.0038508600000000 ] - [ -0.0008578300000000, 0.0003452800000000, -0.0013031600000000 ] - [ 0.0032741400000000, -0.0011407100000000, -0.0047022900000000 ] - [ 0.0003425300000000, -0.0001293200000000, 0.0007224000000000 ] - [ 0.0040994400000000, 0.0002670600000000, -0.0006338100000000 ] - [ -0.0037155200000000, -0.0005504500000000, -0.0021460200000000 ] - [ 0.0009893700000000, 0.0003175600000000, 0.0060463300000000 ] - [ -0.0001878300000000, 0.0003336600000000, -0.0005490100000000 ] - [ -0.0011326500000000, -0.0000164300000000, -0.0004666700000000 ] - [ 0.0001802900000000, 0.0004230700000000, -0.0029615700000000 ] - [ -0.0005843900000000, -0.0000399100000000, 0.0003358400000000 ] - [ 0.0051029800000000, 0.0012323200000000, 0.0010798000000000 ] - [ -0.0002816900000000, 0.0002589200000000, 0.0014232700000000 ] - [ 0.0010487600000000, -0.0001461400000000, -0.0004780700000000 ] - [ 0.0016494500000000, -0.0002199000000000, 0.0000845800000000 ] - [ 0.0010916800000000, 0.0014329100000000, 0.0015865400000000 ] - [ -0.0000732400000000, -0.0002478500000000, -0.0002096400000000 ] - [ 0.0003535700000000, -0.0002348300000000, 0.0000767800000000 ] - [ -0.0007699900000000, -0.0004624800000000, -0.0001276000000000 ] - [ -0.0003244100000000, -0.0016866000000000, -0.0012225400000000 ] - [ 0.0013943100000000, -0.0003470900000000, -0.0026279200000000 ] - [ -0.0057666800000000, 0.0001205300000000, 0.0027836900000000 ] - [ -0.0015359800000000, -0.0002254000000000, 0.0004541700000000 ] - [ 0.0022349000000000, 0.0006405300000000, -0.0001061100000000 ] - [ -0.0001228600000000, -0.0006745700000000, -0.0023846000000000 ] - [ 0.0027475400000000, 0.0009128100000000, 0.0034400500000000 ] - [ 0.0028260800000000, 0.0042063100000000, 0.0176111000000000 ] - [ 0.0011329700000000, 0.0001151900000000, -0.0026312600000000 ] - [ -0.0003523000000000, -0.0000478100000000, -0.0004902900000000 ] - [ 0.0003204500000000, -0.0006543200000000, 0.0005348000000000 ] - [ -0.0013344300000000, 0.0001063500000000, -0.0004744800000000 ] - [ 0.0010457600000000, 0.0001852000000000, 0.0003353100000000 ] - [ 0.0023204300000000, 0.0003520900000000, -0.0009629200000000 ] - [ -0.0018611000000000, 0.0007999000000000, 0.0015203100000000 ] - [ -0.0011764800000000, -0.0007253500000000, -0.0015417500000000 ] - [ 0.0017341500000000, -0.0003928400000000, 0.0015485100000000 ] - [ 0.0012695000000000, 0.0004912200000000, -0.0000970700000000 ] - [ -0.0011219600000000, 0.0001780700000000, -0.0003626200000000 ] - [ -0.0030845200000000, 0.0018409700000000, -0.0054165700000000 ] - [ -0.0002679200000000, 0.0000271900000000, 0.0003820000000000 ] - [ 0.0013832600000000, 0.0005459900000000, 0.0012752100000000 ] - [ -0.0003013800000000, -0.0005935500000000, -0.0001106800000000 ] - [ 0.0262909000000000, 0.0053413500000000, -0.0364187100000000 ] - [ -0.0009118100000000, -0.0000888700000000, 0.0007013700000000 ] - [ -0.0042154700000000, -0.0033356800000000, 0.0017730200000000 ] - [ 0.0004713300000000, 0.0000023100000000, 0.0004932900000000 ] - [ -0.0003822300000000, -0.0003340500000000, 0.0002211500000000 ] - [ 0.0013748800000000, -0.0003615200000000, -0.0010186400000000 ] - [ -0.0000458000000000, -0.0002782200000000, 0.0002550000000000 ] - [ 0.0003644900000000, -0.0003374000000000, -0.0005423500000000 ] - [ -0.0000515100000000, 0.0001321700000000, -0.0000063300000000 ] - [ -0.0006751000000000, 0.0037879400000000, 0.0042674800000000 ] - [ -0.0014727000000000, -0.0000273600000000, 0.0012483000000000 ] - [ 0.0005771000000000, 0.0003287400000000, 0.0016164100000000 ] - [ -0.0055683400000000, 0.0022742900000000, -0.0009666800000000 ] - [ 0.0007251300000000, -0.0007799900000000, 0.0048223100000000 ] - [ 0.0006819000000000, -0.0001822100000000, 0.0005705800000000 ] - [ 0.0032513000000000, 0.0003467600000000, 0.0000716100000000 ] - [ 0.0017360000000000, 0.0011288300000000, -0.0005735800000000 ] - [ -0.0020818100000000, -0.0000206400000000, 0.0008451700000000 ] - [ 0.0008215700000000, 0.0002053600000000, 0.0008871100000000 ] - [ -0.0011506900000000, -0.0002407200000000, 0.0014645800000000 ] - [ -0.0014190700000000, 0.0002099100000000, 0.0026817600000000 ] - [ -0.0008008700000000, -0.0003591800000000, 0.0003572700000000 ] - [ -0.0010392300000000, -0.0001791200000000, 0.0009874000000000 ] - [ 0.0000971400000000, 0.0002112100000000, 0.0000819300000000 ] - [ 0.0002007500000000, 0.0000007600000000, 0.0011214400000000 ] - [ 0.0001462500000000, -0.0001878800000000, 0.0008260300000000 ] - [ -0.0009163700000000, 0.0000838500000000, -0.0006505900000000 ] - [ -0.0046932500000000, -0.0046749700000000, -0.0023346400000000 ] - [ -0.0014719900000000, 0.0005807200000000, -0.0009371100000000 ] - [ -0.0000262400000000, 0.0000175800000000, 0.0001366500000000 ] - [ -0.0022417300000000, -0.0035256700000000, 0.0042847900000000 ] - [ 0.0026851000000000, -0.0008300000000000, -0.0010113000000000 ] - [ -0.0021311900000000, -0.0010242200000000, 0.0000549100000000 ] - [ -0.0009379500000000, -0.0001614700000000, 0.0004230200000000 ] - [ -0.0000664200000000, 0.0002641900000000, 0.0004028200000000 ] - [ -0.0004911800000000, -0.0002358200000000, 0.0001432900000000 ] - [ 0.0004083400000000, -0.0006966900000000, -0.0012657100000000 ] - [ -0.0039097800000000, -0.0002091800000000, -0.0025560100000000 ] - [ 0.0000961300000000, 0.0004536600000000, 0.0017064700000000 ] - [ 0.0003056500000000, 0.0002996300000000, -0.0000871900000000 ] - [ 0.0007152300000000, 0.0002839800000000, -0.0008587500000000 ] - [ 0.0000596000000000, 0.0002088300000000, 0.0011098700000000 ] - [ -0.0002350800000000, 0.0000815600000000, -0.0000949000000000 ] - [ -0.0002705400000000, -0.0000036700000000, -0.0001957800000000 ] - [ -0.0011663000000000, 0.0003690200000000, 0.0017988900000000 ] - [ -0.0003353200000000, -0.0005375500000000, 0.0000692000000000 ] - [ 0.0000576500000000, 0.0001066300000000, 0.0003447100000000 ] - [ 0.0005124900000000, -0.0001925600000000, -0.0002676600000000 ] - [ -0.0007269000000000, 0.0002585400000000, 0.0010376000000000 ] - [ 0.0004593300000000, 0.0001795900000000, -0.0000019500000000 ] - [ -0.0000504000000000, 0.0001123800000000, -0.0000038400000000 ] - [ 0.0013186900000000, 0.0005620100000000, -0.0008635000000000 ] - [ 0.0002087800000000, -0.0005341700000000, 0.0000925400000000 ] - [ 0.0001123200000000, -0.0003556500000000, 0.0016764800000000 ] - [ -0.0001089800000000, 0.0002078000000000, 0.0006692800000000 ] - [ 0.0002602900000000, -0.0010762600000000, 0.0028120600000000 ] - [ -0.0000310900000000, 0.0002737500000000, -0.0010628700000000 ] - [ -0.0006434300000000, -0.0002122700000000, -0.0002073400000000 ] - [ -0.0014725700000000, 0.0003914400000000, -0.0015572700000000 ] - [ -0.0009270800000000, 0.0008632500000000, 0.0015299100000000 ] - [ 0.0000934400000000, 0.0002591200000000, -0.0005219400000000 ] - [ -0.0006349600000000, 0.0002121400000000, 0.0001901700000000 ] - [ 0.0000192100000000, 0.0000246600000000, -0.0003972500000000 ] - [ 0.0008265600000000, 0.0003411800000000, -0.0002179800000000 ] - [ -0.0000131900000000, 0.0005429500000000, 0.0023893500000000 ] - [ -0.0132027600000000, -0.0077543200000000, 0.0080574200000000 ] - [ -0.0013101200000000, 0.0002819100000000, -0.0007448200000000 ] - [ -0.0000415400000000, -0.0004762200000000, -0.0013110700000000 ] - [ 0.0007499800000000, 0.0002030000000000, 0.0006913600000000 ]- atom: 44 displacement: [ 0.0057565208649526, 0.0000000000000000, -0.0081769473235044 ] forces: - [ 0.0011171000000000, -0.0006516700000000, 0.0036297900000000 ] - [ -0.0022363900000000, 0.0002035700000000, 0.0031341600000000 ] - [ 0.0006106100000000, 0.0002532700000000, 0.0000878000000000 ] - [ -0.0035337200000000, 0.0012250600000000, 0.0051575100000000 ] - [ -0.0003529400000000, -0.0003205500000000, -0.0007155200000000 ] - [ -0.0038515400000000, 0.0003295500000000, 0.0018923800000000 ] - [ 0.0042156000000000, 0.0004030200000000, 0.0029046200000000 ] - [ -0.0006937200000000, -0.0002538600000000, -0.0065129500000000 ] - [ 0.0001956200000000, 0.0005355400000000, 0.0005482900000000 ] - [ 0.0006212400000000, -0.0001296500000000, -0.0002384900000000 ] - [ -0.0004000000000000, 0.0001735900000000, 0.0017449200000000 ] - [ 0.0003428700000000, 0.0001075100000000, 0.0000874400000000 ] - [ -0.0051195500000000, -0.0016990700000000, -0.0011276300000000 ] - [ 0.0005288100000000, 0.0003421700000000, -0.0002032800000000 ] - [ -0.0005170100000000, 0.0000028200000000, 0.0011879300000000 ] - [ -0.0014163500000000, 0.0002861500000000, -0.0004970900000000 ] - [ -0.0005800600000000, -0.0018445000000000, -0.0014534300000000 ] - [ -0.0004234700000000, -0.0002256300000000, 0.0001073600000000 ] - [ 0.0001416700000000, -0.0001684300000000, 0.0000186800000000 ] - [ 0.0002737300000000, -0.0000113300000000, 0.0000211800000000 ] - [ -0.0000499500000000, 0.0005128100000000, 0.0021132300000000 ] - [ -0.0020137400000000, 0.0003963700000000, 0.0020647200000000 ] - [ 0.0065010300000000, 0.0000670700000000, -0.0016811700000000 ] - [ 0.0021886500000000, 0.0002739000000000, 0.0001359900000000 ] - [ -0.0033180400000000, 0.0005039100000000, 0.0001268300000000 ] - [ 0.0002960700000000, -0.0005075600000000, 0.0016260500000000 ] - [ -0.0020931100000000, -0.0013639400000000, -0.0034534300000000 ] - [ -0.0013684700000000, -0.0029717900000000, -0.0185744600000000 ] - [ -0.0018380100000000, 0.0000892700000000, 0.0016139100000000 ] - [ -0.0003193100000000, -0.0004247700000000, 0.0005467000000000 ] - [ -0.0005070000000000, -0.0005248900000000, 0.0002197500000000 ] - [ 0.0007116600000000, -0.0000561100000000, -0.0000895200000000 ] - [ -0.0003473200000000, 0.0000193900000000, 0.0006834300000000 ] - [ -0.0016884800000000, -0.0003052400000000, 0.0015387500000000 ] - [ 0.0007655200000000, 0.0003401100000000, -0.0014819600000000 ] - [ 0.0013908800000000, -0.0004487800000000, 0.0007854900000000 ] - [ -0.0010696700000000, -0.0000799400000000, -0.0016207300000000 ] - [ -0.0002043100000000, 0.0006552000000000, 0.0000628900000000 ] - [ 0.0004269300000000, 0.0000262200000000, -0.0006646900000000 ] - [ 0.0024645500000000, -0.0023393100000000, 0.0055124200000000 ] - [ -0.0000373100000000, 0.0001250200000000, -0.0005427500000000 ] - [ -0.0016554700000000, -0.0013134500000000, -0.0009321000000000 ] - [ 0.0005497500000000, -0.0002057000000000, -0.0001881600000000 ] - [ -0.0263558000000000, -0.0059875800000000, 0.0373433700000000 ] - [ 0.0005063500000000, -0.0003443300000000, -0.0010213100000000 ] - [ 0.0045379500000000, 0.0034787400000000, -0.0016836600000000 ] - [ -0.0007911000000000, 0.0001519300000000, -0.0006428400000000 ] - [ 0.0001408600000000, -0.0004533300000000, 0.0000929600000000 ] - [ -0.0010851300000000, -0.0004292300000000, 0.0007447100000000 ] - [ 0.0004503200000000, -0.0001572400000000, 0.0000605500000000 ] - [ -0.0007702600000000, -0.0000972500000000, 0.0002322400000000 ] - [ 0.0003589000000000, 0.0000193300000000, 0.0001608700000000 ] - [ 0.0011950600000000, -0.0031330900000000, -0.0042891200000000 ] - [ 0.0019050900000000, 0.0004256000000000, -0.0024560900000000 ] - [ -0.0005475400000000, 0.0001407400000000, -0.0006361200000000 ] - [ 0.0061206500000000, -0.0024454400000000, 0.0013141300000000 ] - [ -0.0007925100000000, 0.0007552000000000, -0.0052848900000000 ] - [ -0.0011215600000000, 0.0005830300000000, 0.0006220600000000 ] - [ -0.0029222000000000, -0.0012214200000000, -0.0001086700000000 ] - [ -0.0009039300000000, -0.0008748500000000, 0.0002429900000000 ] - [ 0.0026415000000000, -0.0004465100000000, -0.0006110100000000 ] - [ -0.0012035000000000, 0.0000274300000000, -0.0003527600000000 ] - [ 0.0012757900000000, 0.0004281800000000, -0.0014264200000000 ] - [ 0.0006198800000000, 0.0000374200000000, -0.0023924300000000 ] - [ 0.0016973800000000, 0.0003528800000000, -0.0003390200000000 ] - [ 0.0006594700000000, -0.0006994300000000, -0.0010051600000000 ] - [ -0.0000621200000000, 0.0000750900000000, 0.0000772300000000 ] - [ -0.0007092200000000, 0.0005784600000000, -0.0010408500000000 ] - [ -0.0004858300000000, 0.0000593600000000, -0.0001208500000000 ] - [ 0.0013222100000000, 0.0003695400000000, 0.0002171800000000 ] - [ 0.0041599900000000, 0.0042380700000000, 0.0021609000000000 ] - [ 0.0014410500000000, -0.0002986600000000, 0.0007661000000000 ] - [ -0.0008743900000000, -0.0000293600000000, -0.0001614000000000 ] - [ 0.0022019900000000, 0.0039140500000000, -0.0051963800000000 ] - [ -0.0028423900000000, 0.0010260000000000, 0.0009483700000000 ] - [ 0.0016505500000000, 0.0008856900000000, -0.0003737000000000 ] - [ 0.0013128400000000, 0.0003953500000000, -0.0009696700000000 ] - [ -0.0003328700000000, 0.0001884700000000, 0.0000171200000000 ] - [ -0.0002200600000000, 0.0000549400000000, 0.0000194700000000 ] - [ 0.0003143100000000, 0.0005118000000000, 0.0010890600000000 ] - [ 0.0042071200000000, 0.0000853200000000, 0.0018081900000000 ] - [ 0.0000188300000000, -0.0004660000000000, -0.0011662800000000 ] - [ 0.0002096000000000, 0.0002796700000000, 0.0000026500000000 ] - [ -0.0002803000000000, 0.0001157800000000, -0.0003474200000000 ] - [ -0.0000491100000000, 0.0002637100000000, -0.0001262500000000 ] - [ 0.0007303800000000, -0.0002245800000000, 0.0004168600000000 ] - [ 0.0001634100000000, -0.0000103400000000, -0.0003378700000000 ] - [ 0.0007244700000000, 0.0000317400000000, -0.0005961300000000 ] - [ 0.0007184800000000, -0.0003377600000000, -0.0000554700000000 ] - [ 0.0007455100000000, 0.0001411600000000, -0.0006316200000000 ] - [ 0.0000369200000000, -0.0002729500000000, 0.0005003100000000 ] - [ 0.0003393100000000, -0.0000247500000000, -0.0005020300000000 ] - [ -0.0003393900000000, 0.0000049900000000, 0.0000430800000000 ] - [ -0.0007602400000000, 0.0001346800000000, 0.0002969700000000 ] - [ -0.0004342600000000, -0.0005745200000000, 0.0008844400000000 ] - [ -0.0005934900000000, -0.0003417900000000, -0.0001077500000000 ] - [ -0.0000881200000000, 0.0006427600000000, -0.0015243100000000 ] - [ -0.0004169300000000, 0.0003695000000000, -0.0005831900000000 ] - [ -0.0006166400000000, 0.0009540700000000, -0.0021255000000000 ] - [ 0.0004273300000000, 0.0001762300000000, 0.0006478000000000 ] - [ 0.0001063400000000, -0.0002528800000000, -0.0000235700000000 ] - [ 0.0014427600000000, -0.0001028800000000, 0.0014136200000000 ] - [ 0.0000209400000000, -0.0008752500000000, -0.0015595600000000 ] - [ -0.0001156100000000, 0.0002093200000000, -0.0004603400000000 ] - [ 0.0005144600000000, -0.0000282600000000, -0.0002328700000000 ] - [ -0.0005016700000000, -0.0001629600000000, 0.0000746800000000 ] - [ -0.0004569800000000, -0.0001129100000000, -0.0003297300000000 ] - [ -0.0004008700000000, -0.0000873000000000, -0.0019814100000000 ] - [ 0.0126993800000000, 0.0076932700000000, -0.0080165200000000 ] - [ 0.0020248600000000, -0.0004629200000000, 0.0005972500000000 ] - [ 0.0003835900000000, 0.0003495200000000, 0.0006120300000000 ] - [ -0.0006591000000000, -0.0002186100000000, -0.0001619300000000 ]- atom: 53 displacement: [ 0.0099999987502926, 0.0000000000000000, -0.0000049994145799 ] forces: - [ 0.0211513900000000, 0.0116926700000000, 0.0026923900000000 ] - [ 0.0070291600000000, -0.0057174400000000, 0.0086908300000000 ] - [ -0.0020929600000000, 0.0004846800000000, -0.0024776700000000 ] - [ 0.0001148300000000, 0.0002986400000000, 0.0024681500000000 ] - [ -0.0008107300000000, -0.0002305500000000, -0.0017721900000000 ] - [ 0.0088737000000000, 0.0011631200000000, -0.0021877400000000 ] - [ -0.0055865900000000, -0.0000382100000000, -0.0008672800000000 ] - [ -0.0014869100000000, 0.0001759400000000, 0.0014980400000000 ] - [ -0.0011736800000000, 0.0004635500000000, 0.0001272400000000 ] - [ -0.0018050000000000, -0.0000172400000000, -0.0008398800000000 ] - [ -0.0016526900000000, 0.0001152600000000, 0.0010493300000000 ] - [ -0.0010086600000000, -0.0001118400000000, -0.0010639900000000 ] - [ -0.0003333100000000, -0.0003481800000000, 0.0012182900000000 ] - [ -0.0013622700000000, 0.0001474700000000, 0.0007693900000000 ] - [ -0.0021881900000000, 0.0002129100000000, 0.0002087900000000 ] - [ -0.0019730200000000, 0.0001135700000000, -0.0025695700000000 ] - [ 0.0005705900000000, -0.0000136900000000, 0.0004324400000000 ] - [ -0.0001351700000000, -0.0004132800000000, -0.0003204500000000 ] - [ 0.0001125500000000, -0.0003067000000000, -0.0000556300000000 ] - [ -0.0001749800000000, -0.0000626500000000, 0.0001373300000000 ] - [ 0.0393210700000000, -0.0266010600000000, -0.0225893600000000 ] - [ -0.0021589300000000, 0.0010038500000000, 0.0025713100000000 ] - [ -0.0021729900000000, 0.0000703500000000, 0.0068739800000000 ] - [ -0.0019121200000000, -0.0000552100000000, 0.0001315500000000 ] - [ -0.0003749600000000, 0.0005660300000000, 0.0005863900000000 ] - [ 0.0005720100000000, -0.0003469400000000, -0.0048933000000000 ] - [ 0.0023434600000000, -0.0008957100000000, -0.0039463500000000 ] - [ 0.0000955000000000, 0.0003264300000000, 0.0020274000000000 ] - [ 0.0021861400000000, -0.0006133600000000, -0.0008441500000000 ] - [ -0.0013811500000000, 0.0001761500000000, -0.0019824400000000 ] - [ -0.0017061500000000, -0.0003624100000000, 0.0000884300000000 ] - [ -0.0019725500000000, 0.0000114300000000, -0.0011556500000000 ] - [ -0.0010871700000000, -0.0002763000000000, -0.0000761800000000 ] - [ -0.0044953300000000, -0.0013647300000000, -0.0018706600000000 ] - [ 0.0006168200000000, 0.0002526800000000, -0.0015105200000000 ] - [ -0.0009418100000000, -0.0007118400000000, -0.0000333500000000 ] - [ -0.0004341200000000, -0.0003104000000000, 0.0001543400000000 ] - [ -0.0000219000000000, 0.0008689800000000, -0.0012924500000000 ] - [ -0.0009542700000000, 0.0002575600000000, -0.0007994600000000 ] - [ -0.0001833200000000, -0.0004176000000000, 0.0017094200000000 ] - [ -0.0002025200000000, -0.0000519100000000, 0.0007452700000000 ] - [ -0.0002690600000000, -0.0004365300000000, -0.0001675400000000 ] - [ 0.0001864900000000, -0.0004123700000000, -0.0001227400000000 ] - [ 0.0001693800000000, -0.0002908500000000, -0.0009807600000000 ] - [ -0.0006931000000000, -0.0001059200000000, 0.0000529900000000 ] - [ -0.0028841500000000, -0.0021341700000000, -0.0006609900000000 ] - [ 0.0000046000000000, 0.0000348200000000, -0.0004106900000000 ] - [ -0.0000287000000000, -0.0003968100000000, 0.0003998600000000 ] - [ -0.0003881600000000, -0.0004658100000000, 0.0000225000000000 ] - [ 0.0005030300000000, -0.0001086500000000, 0.0004281900000000 ] - [ -0.0002328000000000, -0.0002104300000000, 0.0000101500000000 ] - [ 0.0005212300000000, 0.0000810700000000, 0.0000529600000000 ] - [ -0.0749019400000000, 0.0156049200000000, 0.0070269700000000 ] - [ 0.0011411800000000, -0.0004152600000000, -0.0031810300000000 ] - [ 0.0022119100000000, 0.0015595100000000, 0.0030131900000000 ] - [ 0.0002728000000000, -0.0002211800000000, -0.0005344100000000 ] - [ 0.0017542900000000, -0.0034960800000000, -0.0060057600000000 ] - [ 0.0010855800000000, -0.0003124800000000, 0.0007700600000000 ] - [ 0.0018840000000000, 0.0003497900000000, -0.0008965900000000 ] - [ 0.0076472400000000, 0.0008701100000000, -0.0054919000000000 ] - [ 0.0000779300000000, -0.0001848700000000, -0.0005615600000000 ] - [ 0.0015060200000000, 0.0001202000000000, 0.0013538100000000 ] - [ -0.0007969100000000, -0.0004810500000000, -0.0011818200000000 ] - [ -0.0050743500000000, -0.0011012200000000, 0.0012490600000000 ] - [ 0.0029842700000000, 0.0009646000000000, 0.0011019200000000 ] - [ -0.0013504800000000, 0.0017054300000000, -0.0023532100000000 ] - [ 0.0008233200000000, 0.0003214600000000, 0.0008746000000000 ] - [ 0.0015518200000000, -0.0004725400000000, 0.0031458300000000 ] - [ 0.0005958900000000, -0.0005827600000000, 0.0019062600000000 ] - [ 0.0015767500000000, -0.0031250200000000, 0.0056103600000000 ] - [ -0.0001283900000000, -0.0006408800000000, -0.0014835300000000 ] - [ 0.0007811700000000, -0.0001925400000000, 0.0015286800000000 ] - [ 0.0003437700000000, 0.0002031500000000, 0.0006551100000000 ] - [ -0.0100328300000000, 0.0025718500000000, 0.0039071500000000 ] - [ 0.0017686600000000, -0.0007596700000000, -0.0013579100000000 ] - [ -0.0004407300000000, -0.0000088200000000, -0.0007033500000000 ] - [ 0.0105930100000000, 0.0026830900000000, -0.0013655900000000 ] - [ 0.0002802000000000, 0.0003721300000000, 0.0010671300000000 ] - [ -0.0001827100000000, -0.0003338800000000, 0.0011396100000000 ] - [ 0.0002780800000000, 0.0006081600000000, 0.0019988900000000 ] - [ -0.0009476500000000, 0.0068978500000000, 0.0091808300000000 ] - [ -0.0045822600000000, 0.0020109400000000, 0.0035658700000000 ] - [ 0.0008954800000000, 0.0002305900000000, -0.0000172400000000 ] - [ 0.0009966000000000, 0.0003704000000000, -0.0006540400000000 ] - [ 0.0008248600000000, -0.0000248200000000, 0.0000793400000000 ] - [ 0.0009775500000000, -0.0001919700000000, 0.0010173600000000 ] - [ 0.0012876700000000, -0.0001154000000000, 0.0001290600000000 ] - [ 0.0024040900000000, -0.0002019500000000, -0.0004816300000000 ] - [ 0.0015239800000000, -0.0001679800000000, 0.0006461300000000 ] - [ 0.0012161100000000, 0.0000478500000000, -0.0004862400000000 ] - [ 0.0003307700000000, -0.0002829300000000, 0.0008030300000000 ] - [ 0.0007259800000000, 0.0001134400000000, -0.0001393000000000 ] - [ 0.0004743000000000, 0.0001721200000000, 0.0003084600000000 ] - [ 0.0000716700000000, 0.0002006700000000, -0.0000185000000000 ] - [ 0.0014650000000000, 0.0001449800000000, -0.0000466600000000 ] - [ 0.0003433000000000, -0.0005465400000000, 0.0003417900000000 ] - [ -0.0001906400000000, 0.0001872100000000, -0.0006729800000000 ] - [ 0.0003224500000000, 0.0003718200000000, -0.0002175600000000 ] - [ 0.0002568600000000, 0.0004047000000000, -0.0005257700000000 ] - [ 0.0008274000000000, 0.0003955700000000, -0.0004241300000000 ] - [ 0.0003378200000000, -0.0001905500000000, 0.0007282300000000 ] - [ 0.0005254100000000, -0.0002186200000000, -0.0004042900000000 ] - [ -0.0000801700000000, -0.0008236500000000, -0.0014939800000000 ] - [ 0.0007053100000000, 0.0004697100000000, -0.0005182700000000 ] - [ 0.0009269600000000, -0.0000404800000000, 0.0003589800000000 ] - [ -0.0001158100000000, -0.0000630600000000, 0.0004844300000000 ] - [ 0.0013542200000000, 0.0003473800000000, 0.0002030500000000 ] - [ -0.0000274700000000, -0.0000013100000000, -0.0008151000000000 ] - [ 0.0001543700000000, 0.0003323800000000, -0.0013313500000000 ] - [ 0.0007408400000000, -0.0000483800000000, -0.0007172700000000 ] - [ 0.0009080800000000, -0.0000848500000000, -0.0002494500000000 ] - [ 0.0010048600000000, 0.0000103700000000, 0.0004792600000000 ]- atom: 53 displacement: [ -0.0099999987502926, 0.0000000000000000, 0.0000049994145799 ] forces: - [ -0.0208024200000000, -0.0103133100000000, -0.0023531300000000 ] - [ -0.0076564500000000, 0.0055320900000000, -0.0093054700000000 ] - [ 0.0018524700000000, 0.0001125900000000, 0.0012520600000000 ] - [ -0.0003466100000000, -0.0002338900000000, -0.0020573600000000 ] - [ 0.0008068000000000, -0.0002191700000000, 0.0017769000000000 ] - [ -0.0092458200000000, -0.0001677900000000, 0.0032023900000000 ] - [ 0.0061181600000000, -0.0000920300000000, 0.0015764700000000 ] - [ 0.0017292700000000, -0.0001079900000000, -0.0019146500000000 ] - [ 0.0011772200000000, 0.0004039000000000, -0.0001306900000000 ] - [ 0.0012840200000000, -0.0001270500000000, 0.0001339000000000 ] - [ 0.0014269700000000, 0.0004864600000000, -0.0022879700000000 ] - [ 0.0007706600000000, 0.0001791200000000, 0.0014883100000000 ] - [ 0.0003428000000000, -0.0001006100000000, -0.0012214200000000 ] - [ 0.0015993400000000, 0.0004527500000000, 0.0004560900000000 ] - [ 0.0027224000000000, -0.0003597900000000, 0.0004951900000000 ] - [ 0.0022120500000000, -0.0000439200000000, 0.0021595600000000 ] - [ -0.0000706000000000, -0.0003912100000000, -0.0003399300000000 ] - [ -0.0003597200000000, -0.0000630000000000, 0.0002156300000000 ] - [ 0.0003842300000000, -0.0000984100000000, 0.0001572600000000 ] - [ -0.0003247900000000, -0.0004119700000000, -0.0002416900000000 ] - [ -0.0396877100000000, 0.0252509700000000, 0.0232945300000000 ] - [ 0.0015462300000000, -0.0009659200000000, -0.0031604800000000 ] - [ 0.0028697000000000, 0.0001308600000000, -0.0058086600000000 ] - [ 0.0025353200000000, 0.0001029100000000, 0.0004396500000000 ] - [ -0.0006922500000000, 0.0005813900000000, -0.0005503800000000 ] - [ -0.0003757100000000, -0.0008171200000000, 0.0041352000000000 ] - [ -0.0017237200000000, 0.0004099900000000, 0.0038814900000000 ] - [ 0.0010075000000000, 0.0008307600000000, -0.0020853100000000 ] - [ -0.0028902000000000, 0.0008171100000000, -0.0001730000000000 ] - [ 0.0007156300000000, -0.0006493000000000, 0.0020396700000000 ] - [ 0.0015184600000000, -0.0008167900000000, 0.0006682600000000 ] - [ 0.0013484600000000, 0.0000362800000000, 0.0005858900000000 ] - [ 0.0017885100000000, 0.0004823800000000, 0.0010949500000000 ] - [ 0.0051449100000000, 0.0014195700000000, 0.0024683300000000 ] - [ -0.0017023400000000, 0.0008949300000000, 0.0015500500000000 ] - [ 0.0011384300000000, -0.0004657300000000, -0.0007296400000000 ] - [ 0.0011031900000000, -0.0001624700000000, -0.0002090800000000 ] - [ 0.0010921200000000, 0.0002775400000000, 0.0012580200000000 ] - [ 0.0002558600000000, -0.0000532100000000, -0.0002210000000000 ] - [ -0.0004806600000000, -0.0000521400000000, -0.0016684400000000 ] - [ -0.0001077800000000, 0.0002057500000000, -0.0009066300000000 ] - [ 0.0000214600000000, -0.0003545000000000, 0.0004801600000000 ] - [ 0.0000601300000000, -0.0003928100000000, -0.0001770400000000 ] - [ 0.0001949100000000, -0.0001469200000000, 0.0013304300000000 ] - [ 0.0002822700000000, -0.0003256300000000, -0.0003729000000000 ] - [ 0.0032244000000000, 0.0023209700000000, 0.0008439600000000 ] - [ -0.0003168900000000, 0.0001201300000000, 0.0002582800000000 ] - [ -0.0002168400000000, -0.0003893300000000, -0.0000820400000000 ] - [ 0.0006370700000000, -0.0003295600000000, -0.0003254700000000 ] - [ -0.0001001400000000, -0.0003293800000000, -0.0001137500000000 ] - [ -0.0001732500000000, -0.0002242500000000, -0.0003249700000000 ] - [ -0.0002075400000000, 0.0000771500000000, 0.0001008100000000 ] - [ 0.0760339700000000, -0.0157713800000000, -0.0070608600000000 ] - [ -0.0007059700000000, 0.0008253200000000, 0.0019942000000000 ] - [ -0.0021941500000000, -0.0010928900000000, -0.0020436000000000 ] - [ 0.0002082600000000, 0.0000846700000000, 0.0008586600000000 ] - [ -0.0018670000000000, 0.0033646700000000, 0.0053530400000000 ] - [ -0.0015231400000000, 0.0007130500000000, 0.0004344800000000 ] - [ -0.0014960900000000, -0.0012130700000000, 0.0009046400000000 ] - [ -0.0067359800000000, -0.0005913100000000, 0.0051417100000000 ] - [ 0.0004605200000000, -0.0002797900000000, 0.0007923900000000 ] - [ -0.0018869300000000, 0.0001109200000000, -0.0008145100000000 ] - [ 0.0009187900000000, 0.0006610200000000, 0.0012235100000000 ] - [ 0.0042770500000000, 0.0013351400000000, -0.0009832500000000 ] - [ -0.0020874300000000, -0.0009749600000000, -0.0010882800000000 ] - [ 0.0009673700000000, -0.0025878200000000, 0.0023465100000000 ] - [ -0.0007905900000000, -0.0000372900000000, -0.0007153600000000 ] - [ -0.0020552400000000, 0.0010444400000000, -0.0030421100000000 ] - [ -0.0009418400000000, 0.0004513400000000, -0.0012043400000000 ] - [ -0.0011889300000000, 0.0036226300000000, -0.0060996300000000 ] - [ -0.0004207700000000, 0.0001703000000000, 0.0012537000000000 ] - [ -0.0008112700000000, 0.0004780100000000, -0.0016993200000000 ] - [ -0.0012451600000000, -0.0002126200000000, -0.0006784600000000 ] - [ 0.0100907700000000, -0.0020053700000000, -0.0048690500000000 ] - [ -0.0018823100000000, 0.0009347000000000, 0.0013092800000000 ] - [ -0.0000541300000000, -0.0001333000000000, 0.0003803300000000 ] - [ -0.0103737500000000, -0.0024800200000000, 0.0008513300000000 ] - [ -0.0006814100000000, 0.0000822300000000, -0.0006467300000000 ] - [ -0.0005313100000000, 0.0001538800000000, -0.0009741600000000 ] - [ 0.0004421800000000, -0.0007918600000000, -0.0021776900000000 ] - [ 0.0012784100000000, -0.0070673700000000, -0.0099759400000000 ] - [ 0.0046535700000000, -0.0019886600000000, -0.0030367400000000 ] - [ -0.0003780100000000, 0.0003484200000000, -0.0000669600000000 ] - [ -0.0005591800000000, 0.0000294200000000, -0.0005507900000000 ] - [ -0.0008125500000000, 0.0004967400000000, 0.0009076400000000 ] - [ -0.0004855500000000, 0.0000503800000000, -0.0006957400000000 ] - [ -0.0013935000000000, 0.0001010500000000, -0.0006615000000000 ] - [ -0.0028689600000000, 0.0006055600000000, 0.0016930800000000 ] - [ -0.0011461200000000, -0.0007071700000000, -0.0006332200000000 ] - [ -0.0004141100000000, 0.0002000400000000, 0.0002006200000000 ] - [ 0.0002137800000000, -0.0001826300000000, -0.0005749100000000 ] - [ -0.0011115100000000, 0.0001193600000000, 0.0006834900000000 ] - [ -0.0003538700000000, 0.0000114500000000, -0.0002681200000000 ] - [ -0.0008794100000000, 0.0000465100000000, 0.0003088400000000 ] - [ -0.0005651300000000, -0.0001535200000000, 0.0000687000000000 ] - [ -0.0007271500000000, -0.0003287600000000, -0.0003572400000000 ] - [ 0.0002210400000000, 0.0000950300000000, 0.0008375600000000 ] - [ -0.0008450700000000, 0.0002056900000000, 0.0003061100000000 ] - [ -0.0006055300000000, -0.0005388800000000, 0.0012367100000000 ] - [ -0.0004274800000000, 0.0000583000000000, 0.0000021300000000 ] - [ -0.0008790900000000, -0.0002748400000000, -0.0009595700000000 ] - [ -0.0005612200000000, 0.0005032800000000, 0.0002431400000000 ] - [ -0.0008235700000000, 0.0008215400000000, 0.0014804100000000 ] - [ -0.0007249300000000, -0.0000000900000000, -0.0004636800000000 ] - [ -0.0010509000000000, 0.0002234800000000, -0.0004010700000000 ] - [ -0.0003720200000000, -0.0000757900000000, -0.0008093800000000 ] - [ -0.0009748500000000, -0.0001150000000000, -0.0007446400000000 ] - [ -0.0003769900000000, 0.0004580900000000, 0.0012440700000000 ] - [ -0.0008846900000000, -0.0005202500000000, 0.0015102700000000 ] - [ -0.0000286200000000, -0.0001315100000000, 0.0005497200000000 ] - [ -0.0005649200000000, -0.0000468300000000, -0.0004547800000000 ] - [ -0.0009069100000000, -0.0000241000000000, 0.0000530100000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0070028900000000, 0.0050744000000000, 0.0077907800000000 ] - [ -0.0016943200000000, 0.0036018900000000, 0.0036053500000000 ] - [ -0.0014003500000000, 0.0007462700000000, -0.0006025100000000 ] - [ 0.0006420400000000, 0.0000186600000000, -0.0003693900000000 ] - [ -0.0004927700000000, -0.0002346000000000, -0.0001593500000000 ] - [ -0.0012389100000000, 0.0025519100000000, 0.0028495000000000 ] - [ 0.0042391700000000, 0.0015008700000000, 0.0028119000000000 ] - [ 0.0009610500000000, 0.0001242200000000, -0.0000996700000000 ] - [ 0.0001022300000000, 0.0004270400000000, -0.0001834700000000 ] - [ -0.0002640100000000, -0.0000987100000000, -0.0004279900000000 ] - [ 0.0002124000000000, 0.0002977000000000, -0.0010418700000000 ] - [ -0.0005439100000000, 0.0000128200000000, 0.0001049500000000 ] - [ 0.0008926300000000, -0.0002124300000000, -0.0003414600000000 ] - [ 0.0003006900000000, 0.0003371300000000, 0.0006070400000000 ] - [ 0.0006629700000000, -0.0001093400000000, 0.0002430300000000 ] - [ 0.0000012900000000, 0.0002505900000000, 0.0005499900000000 ] - [ -0.0001560100000000, -0.0004212200000000, -0.0002932100000000 ] - [ -0.0002468400000000, -0.0002410500000000, -0.0001540900000000 ] - [ 0.0002409600000000, -0.0001823000000000, -0.0000051900000000 ] - [ -0.0002860300000000, -0.0002593700000000, -0.0002272000000000 ] - [ -0.0218409200000000, 0.0756462200000000, 0.0642597200000000 ] - [ 0.0006628600000000, 0.0001214400000000, -0.0009290200000000 ] - [ 0.0003184100000000, -0.0008849900000000, 0.0020993400000000 ] - [ 0.0005277200000000, -0.0000523000000000, 0.0006306900000000 ] - [ -0.0001447200000000, 0.0006185100000000, -0.0005457300000000 ] - [ 0.0019328200000000, -0.0006976800000000, -0.0011132500000000 ] - [ -0.0023714800000000, -0.0028776600000000, -0.0014232100000000 ] - [ 0.0025372300000000, 0.0012863400000000, -0.0013848300000000 ] - [ 0.0023733900000000, -0.0004774300000000, -0.0018432000000000 ] - [ -0.0008007200000000, -0.0001220300000000, -0.0003943500000000 ] - [ 0.0000885800000000, -0.0006290600000000, 0.0003209000000000 ] - [ -0.0004270900000000, -0.0000040400000000, -0.0000349700000000 ] - [ 0.0004405700000000, 0.0001935200000000, 0.0005074500000000 ] - [ 0.0001563100000000, 0.0003830900000000, 0.0004170200000000 ] - [ -0.0009943200000000, 0.0004965300000000, -0.0002380200000000 ] - [ 0.0001843300000000, -0.0005540300000000, -0.0006743400000000 ] - [ 0.0005932700000000, -0.0003071400000000, -0.0001230700000000 ] - [ 0.0003668200000000, 0.0006325000000000, -0.0000815000000000 ] - [ -0.0004748600000000, 0.0001302800000000, -0.0007154700000000 ] - [ -0.0002123200000000, -0.0000757400000000, -0.0006258800000000 ] - [ -0.0000317500000000, 0.0001011800000000, 0.0000906300000000 ] - [ -0.0001122500000000, -0.0003728400000000, 0.0003239900000000 ] - [ 0.0000834100000000, -0.0004481400000000, -0.0000430200000000 ] - [ -0.0022059400000000, -0.0001894900000000, 0.0027045900000000 ] - [ -0.0003083300000000, -0.0002233400000000, 0.0001228300000000 ] - [ 0.0018967700000000, 0.0046843000000000, -0.0001797100000000 ] - [ -0.0001929800000000, 0.0000695300000000, 0.0001177800000000 ] - [ -0.0000951400000000, -0.0004015300000000, 0.0002058500000000 ] - [ 0.0002861000000000, -0.0002995300000000, -0.0001153700000000 ] - [ 0.0001939300000000, -0.0002191000000000, 0.0001646800000000 ] - [ -0.0001721300000000, -0.0002350100000000, -0.0000367300000000 ] - [ 0.0000898100000000, 0.0000802500000000, 0.0001340800000000 ] - [ 0.0150070300000000, -0.1415531400000000, -0.0786564800000000 ] - [ -0.0000610100000000, 0.0012104700000000, 0.0003196200000000 ] - [ 0.0035654800000000, 0.0036140600000000, 0.0025699100000000 ] - [ -0.0004304300000000, 0.0001960100000000, 0.0002506300000000 ] - [ -0.0100754800000000, 0.0073395900000000, -0.0057958100000000 ] - [ -0.0001083200000000, 0.0003979000000000, 0.0001138400000000 ] - [ -0.0003643100000000, 0.0000887600000000, -0.0000113500000000 ] - [ 0.0038382500000000, -0.0000000700000000, -0.0030993600000000 ] - [ -0.0001579400000000, -0.0004933900000000, 0.0006831100000000 ] - [ -0.0004501000000000, -0.0001391500000000, -0.0004155500000000 ] - [ -0.0007601000000000, -0.0011379700000000, -0.0004922500000000 ] - [ -0.0019447000000000, -0.0002388700000000, 0.0081359100000000 ] - [ -0.0008708900000000, -0.0015353600000000, -0.0002441500000000 ] - [ -0.0009449300000000, 0.0013994200000000, -0.0011266300000000 ] - [ 0.0003551700000000, 0.0002466300000000, 0.0002184500000000 ] - [ 0.0005014200000000, -0.0013827700000000, 0.0002759700000000 ] - [ 0.0001713900000000, -0.0000398900000000, 0.0007981700000000 ] - [ 0.0000094300000000, 0.0035102300000000, -0.0038614500000000 ] - [ -0.0007849200000000, -0.0005604200000000, -0.0001042300000000 ] - [ 0.0008029400000000, 0.0002458500000000, 0.0002242300000000 ] - [ -0.0002476200000000, -0.0001364000000000, -0.0001266500000000 ] - [ 0.0040180500000000, 0.0387475900000000, 0.0007987100000000 ] - [ 0.0001130100000000, -0.0002248100000000, -0.0003655800000000 ] - [ -0.0005527600000000, -0.0002619200000000, 0.0000100800000000 ] - [ 0.0001187100000000, -0.0018844400000000, -0.0002102300000000 ] - [ 0.0000525400000000, 0.0001926700000000, 0.0002991900000000 ] - [ -0.0001665900000000, -0.0001117300000000, 0.0001612200000000 ] - [ 0.0008332100000000, 0.0000296100000000, -0.0001723300000000 ] - [ 0.0038447400000000, -0.0003484000000000, 0.0026172300000000 ] - [ -0.0031603700000000, 0.0035350600000000, -0.0019543200000000 ] - [ 0.0001999300000000, 0.0003160500000000, 0.0000105900000000 ] - [ 0.0002358300000000, 0.0002256300000000, -0.0006631900000000 ] - [ -0.0000998400000000, 0.0002813000000000, 0.0006554900000000 ] - [ 0.0004176100000000, -0.0001868900000000, 0.0001580900000000 ] - [ -0.0001962900000000, -0.0000135800000000, -0.0002566400000000 ] - [ -0.0005388100000000, 0.0001861400000000, 0.0008289700000000 ] - [ -0.0000603500000000, -0.0005240200000000, -0.0001194400000000 ] - [ 0.0002923100000000, 0.0001307900000000, -0.0000270700000000 ] - [ 0.0005002400000000, -0.0002662700000000, 0.0002304300000000 ] - [ -0.0004554000000000, 0.0001620100000000, 0.0003765700000000 ] - [ 0.0001543400000000, 0.0001332400000000, 0.0000609400000000 ] - [ -0.0004181300000000, 0.0001211400000000, 0.0002463900000000 ] - [ 0.0002253600000000, 0.0000778100000000, -0.0001276700000000 ] - [ -0.0000880600000000, -0.0004791000000000, 0.0000492100000000 ] - [ -0.0001953500000000, -0.0000054800000000, 0.0002799300000000 ] - [ -0.0003415000000000, 0.0002440700000000, 0.0001951600000000 ] - [ -0.0002498400000000, -0.0001932800000000, 0.0006399700000000 ] - [ 0.0000359200000000, 0.0001547200000000, -0.0001894300000000 ] - [ -0.0001548300000000, -0.0001893700000000, -0.0001572500000000 ] - [ -0.0003038700000000, 0.0002687300000000, -0.0000808200000000 ] - [ -0.0006456000000000, 0.0001770200000000, 0.0001757300000000 ] - [ -0.0000694400000000, 0.0002057800000000, -0.0004421500000000 ] - [ -0.0001107000000000, 0.0000635000000000, -0.0000869200000000 ] - [ 0.0000205600000000, 0.0000181000000000, -0.0000282200000000 ] - [ 0.0001131900000000, 0.0000692200000000, -0.0003577900000000 ] - [ -0.0003863300000000, 0.0003581800000000, 0.0004987500000000 ] - [ -0.0013521800000000, -0.0005802500000000, 0.0008232600000000 ] - [ -0.0000500700000000, 0.0000267400000000, 0.0002382000000000 ] - [ 0.0000656700000000, -0.0000611800000000, -0.0003659800000000 ] - [ 0.0000221900000000, 0.0000170100000000, 0.0003399700000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0064976400000000, -0.0037064300000000, -0.0074463200000000 ] - [ 0.0011003300000000, -0.0038724700000000, -0.0041655300000000 ] - [ 0.0011474000000000, -0.0001416300000000, -0.0006266600000000 ] - [ -0.0008695800000000, 0.0000498200000000, 0.0007922400000000 ] - [ 0.0004845300000000, -0.0002166000000000, 0.0001538400000000 ] - [ 0.0012563500000000, -0.0017634100000000, -0.0017082600000000 ] - [ -0.0037183100000000, -0.0016539400000000, -0.0020913600000000 ] - [ -0.0007201400000000, -0.0000557200000000, -0.0003210200000000 ] - [ -0.0001040000000000, 0.0004432300000000, 0.0001814600000000 ] - [ -0.0002622300000000, -0.0000455500000000, -0.0002791800000000 ] - [ -0.0004461200000000, 0.0002992300000000, -0.0001835900000000 ] - [ 0.0003012900000000, 0.0000542500000000, 0.0003153100000000 ] - [ -0.0008846500000000, -0.0002391600000000, 0.0003405300000000 ] - [ -0.0000675900000000, 0.0002617400000000, 0.0006184000000000 ] - [ -0.0001408000000000, -0.0000338300000000, 0.0004600600000000 ] - [ 0.0002267000000000, -0.0001826000000000, -0.0009700800000000 ] - [ 0.0006452900000000, 0.0000159900000000, 0.0003829400000000 ] - [ -0.0002437200000000, -0.0002368700000000, 0.0000549800000000 ] - [ 0.0002487900000000, -0.0002233700000000, 0.0001012700000000 ] - [ -0.0002063900000000, -0.0002152600000000, 0.0001272400000000 ] - [ 0.0232091100000000, -0.0803105700000000, -0.0671651900000000 ] - [ -0.0012758800000000, -0.0000673200000000, 0.0003538100000000 ] - [ 0.0003814200000000, 0.0010868900000000, -0.0010717100000000 ] - [ 0.0000928700000000, 0.0000993000000000, -0.0000555200000000 ] - [ -0.0009236900000000, 0.0005286200000000, 0.0005795400000000 ] - [ -0.0017216000000000, -0.0004976300000000, 0.0003457800000000 ] - [ 0.0030101900000000, 0.0023935700000000, 0.0013514400000000 ] - [ -0.0014498900000000, -0.0001357100000000, 0.0013411600000000 ] - [ -0.0030540500000000, 0.0006696200000000, 0.0008197700000000 ] - [ 0.0001285600000000, -0.0003467500000000, 0.0004393500000000 ] - [ -0.0002833300000000, -0.0005487500000000, 0.0004338300000000 ] - [ -0.0002052100000000, 0.0000524500000000, -0.0005357200000000 ] - [ 0.0002532500000000, 0.0000108600000000, 0.0005076200000000 ] - [ 0.0004523300000000, -0.0003319200000000, 0.0001390200000000 ] - [ -0.0000823900000000, 0.0006490700000000, 0.0002687500000000 ] - [ 0.0000085200000000, -0.0006230300000000, -0.0000847300000000 ] - [ 0.0000727700000000, -0.0001650400000000, 0.0000672800000000 ] - [ 0.0007031100000000, 0.0005161200000000, 0.0000399800000000 ] - [ -0.0002256600000000, 0.0000746600000000, -0.0003055500000000 ] - [ -0.0004493700000000, -0.0003943300000000, 0.0006776300000000 ] - [ -0.0002728000000000, 0.0000477200000000, -0.0002431700000000 ] - [ -0.0001454200000000, -0.0004147800000000, -0.0000158400000000 ] - [ 0.0001627200000000, -0.0003466300000000, -0.0002601700000000 ] - [ 0.0025850300000000, -0.0002519800000000, -0.0023861700000000 ] - [ -0.0001026400000000, -0.0002072400000000, -0.0004384100000000 ] - [ -0.0015702500000000, -0.0044896100000000, 0.0003167300000000 ] - [ -0.0001157100000000, 0.0000817300000000, -0.0002640000000000 ] - [ -0.0001498000000000, -0.0003888400000000, 0.0001035900000000 ] - [ -0.0000291500000000, -0.0004946200000000, -0.0001829000000000 ] - [ 0.0002123200000000, -0.0002137800000000, 0.0001534500000000 ] - [ -0.0002269000000000, -0.0002015900000000, -0.0002726700000000 ] - [ 0.0002167800000000, 0.0000691800000000, 0.0000200600000000 ] - [ -0.0163044700000000, 0.1454836300000000, 0.0820223700000000 ] - [ 0.0004841900000000, -0.0008032700000000, -0.0015141900000000 ] - [ -0.0035029400000000, -0.0030948800000000, -0.0015492800000000 ] - [ 0.0009161700000000, -0.0003341100000000, 0.0000718500000000 ] - [ 0.0100260300000000, -0.0074004300000000, 0.0051945600000000 ] - [ -0.0003231000000000, 0.0000005500000000, 0.0010861500000000 ] - [ 0.0007459400000000, -0.0009666700000000, 0.0000233400000000 ] - [ -0.0030308600000000, 0.0002218100000000, 0.0027880400000000 ] - [ 0.0006969600000000, 0.0000267300000000, -0.0004509900000000 ] - [ 0.0000779400000000, 0.0003716400000000, 0.0009586000000000 ] - [ 0.0008741500000000, 0.0013208400000000, 0.0005345700000000 ] - [ 0.0011236300000000, 0.0004443800000000, -0.0078130900000000 ] - [ 0.0017407100000000, 0.0015021600000000, 0.0002691900000000 ] - [ 0.0005557400000000, -0.0022607100000000, 0.0010970800000000 ] - [ -0.0003211000000000, 0.0000392400000000, -0.0000558600000000 ] - [ -0.0010181300000000, 0.0019379300000000, -0.0001898900000000 ] - [ -0.0005103000000000, -0.0000913500000000, -0.0000822700000000 ] - [ 0.0003995900000000, -0.0030341800000000, 0.0034281200000000 ] - [ 0.0002373600000000, 0.0000924000000000, -0.0001261200000000 ] - [ -0.0008203300000000, 0.0000365000000000, -0.0003806400000000 ] - [ -0.0006494700000000, 0.0001246700000000, 0.0001053900000000 ] - [ -0.0041103000000000, -0.0386744500000000, -0.0019410500000000 ] - [ -0.0002329200000000, 0.0004115100000000, 0.0003181400000000 ] - [ 0.0000579600000000, 0.0001203200000000, -0.0003330300000000 ] - [ 0.0003120400000000, 0.0021179700000000, -0.0003304700000000 ] - [ -0.0004514000000000, 0.0002615200000000, 0.0001261800000000 ] - [ -0.0005495300000000, -0.0000709500000000, 0.0000080700000000 ] - [ -0.0001077600000000, -0.0002082800000000, 0.0000111200000000 ] - [ -0.0034681500000000, 0.0002408100000000, -0.0033120100000000 ] - [ 0.0032513100000000, -0.0035281900000000, 0.0025004900000000 ] - [ 0.0003199500000000, 0.0002620800000000, -0.0000969400000000 ] - [ 0.0002036500000000, 0.0001749500000000, -0.0005427700000000 ] - [ 0.0001175900000000, 0.0001897800000000, 0.0003304600000000 ] - [ 0.0000782100000000, 0.0000451000000000, 0.0001671300000000 ] - [ 0.0000947100000000, 0.0000000200000000, -0.0002756700000000 ] - [ 0.0001071100000000, 0.0002113600000000, 0.0003770700000000 ] - [ 0.0004450800000000, -0.0003533700000000, 0.0001354400000000 ] - [ 0.0005140300000000, 0.0001157000000000, -0.0002602500000000 ] - [ 0.0000457700000000, -0.0002000900000000, 0.0000020600000000 ] - [ 0.0000722000000000, 0.0000718800000000, 0.0001656200000000 ] - [ -0.0000316700000000, 0.0000523700000000, -0.0000187800000000 ] - [ -0.0003867500000000, 0.0001256500000000, 0.0000429200000000 ] - [ 0.0006769300000000, -0.0000880100000000, 0.0001479900000000 ] - [ -0.0002937300000000, -0.0003981500000000, -0.0000633100000000 ] - [ 0.0002203800000000, 0.0002884400000000, -0.0001200300000000 ] - [ -0.0001777800000000, 0.0003334800000000, -0.0001063200000000 ] - [ -0.0000975500000000, 0.0000627200000000, 0.0000690600000000 ] - [ 0.0003668100000000, 0.0002992900000000, -0.0002342000000000 ] - [ -0.0003843800000000, -0.0002764400000000, -0.0000701700000000 ] - [ 0.0002737100000000, 0.0000165300000000, -0.0000787500000000 ] - [ -0.0002594500000000, -0.0001877700000000, -0.0001979300000000 ] - [ 0.0000530600000000, 0.0002657200000000, -0.0005423700000000 ] - [ -0.0000071500000000, 0.0001213700000000, 0.0000464300000000 ] - [ -0.0005078500000000, -0.0001565600000000, -0.0002921100000000 ] - [ 0.0002680700000000, 0.0001636900000000, -0.0001845300000000 ] - [ -0.0000192400000000, 0.0000970700000000, -0.0000745300000000 ] - [ 0.0006255300000000, 0.0003956400000000, -0.0006534600000000 ] - [ 0.0007656700000000, -0.0002071500000000, -0.0004029800000000 ] - [ 0.0002808200000000, -0.0000698300000000, -0.0003413000000000 ] - [ 0.0000825100000000, -0.0000297500000000, 0.0001945200000000 ]- atom: 53 displacement: [ -0.0057565208649526, 0.0000000000000000, 0.0081769473235044 ] forces: - [ -0.0116542600000000, -0.0065138000000000, 0.0089354100000000 ] - [ 0.0022315000000000, 0.0104909700000000, -0.0076592000000000 ] - [ -0.0013529500000000, 0.0003068500000000, 0.0006090100000000 ] - [ 0.0025311300000000, -0.0000574100000000, -0.0030820500000000 ] - [ -0.0012363500000000, -0.0002730700000000, -0.0001269800000000 ] - [ -0.0029828200000000, -0.0044022400000000, 0.0135608000000000 ] - [ 0.0050680800000000, 0.0004003400000000, 0.0042790000000000 ] - [ 0.0026314600000000, -0.0000312800000000, -0.0013087300000000 ] - [ 0.0007101400000000, 0.0004578600000000, -0.0003551200000000 ] - [ 0.0003788800000000, -0.0001902900000000, -0.0004820700000000 ] - [ 0.0019598800000000, 0.0001888000000000, -0.0018756800000000 ] - [ -0.0008831500000000, 0.0000172700000000, 0.0001611500000000 ] - [ 0.0021245200000000, -0.0001777200000000, -0.0017045300000000 ] - [ 0.0010656400000000, 0.0004361200000000, 0.0003858400000000 ] - [ 0.0019437100000000, -0.0001953700000000, 0.0008375200000000 ] - [ -0.0008982800000000, 0.0002319600000000, 0.0015899000000000 ] - [ 0.0005555800000000, -0.0000230700000000, -0.0014024800000000 ] - [ -0.0004571400000000, -0.0000838800000000, -0.0002748700000000 ] - [ 0.0002159600000000, -0.0001044400000000, -0.0001141600000000 ] - [ -0.0002816400000000, -0.0003115200000000, -0.0006072500000000 ] - [ -0.0372629900000000, 0.0679259400000000, 0.0943232500000000 ] - [ 0.0031248200000000, -0.0006318300000000, -0.0008954400000000 ] - [ 0.0034398000000000, 0.0000209800000000, -0.0023893000000000 ] - [ 0.0018297500000000, -0.0000062700000000, 0.0009921900000000 ] - [ 0.0001928900000000, 0.0005580600000000, -0.0020961000000000 ] - [ -0.0050343400000000, -0.0012967600000000, -0.0003741400000000 ] - [ -0.0048207500000000, -0.0018359800000000, -0.0012535800000000 ] - [ 0.0041676000000000, 0.0014004600000000, -0.0032042200000000 ] - [ 0.0007599100000000, 0.0010736900000000, -0.0032077000000000 ] - [ -0.0012965300000000, -0.0001587300000000, -0.0001865900000000 ] - [ 0.0007468600000000, -0.0007634400000000, 0.0002967600000000 ] - [ -0.0000722000000000, 0.0000918500000000, 0.0003912300000000 ] - [ 0.0007536500000000, 0.0003176100000000, 0.0008248800000000 ] - [ 0.0037436700000000, 0.0006913500000000, 0.0049554900000000 ] - [ -0.0017377700000000, 0.0003775800000000, -0.0007242200000000 ] - [ 0.0011527200000000, -0.0003756300000000, -0.0011326000000000 ] - [ 0.0010091900000000, -0.0004094300000000, -0.0007221100000000 ] - [ -0.0001316300000000, 0.0006868900000000, 0.0001535200000000 ] - [ -0.0003368300000000, 0.0001391000000000, -0.0011566400000000 ] - [ 0.0006668600000000, 0.0001002400000000, -0.0019840300000000 ] - [ 0.0004778000000000, 0.0001510300000000, -0.0001474900000000 ] - [ -0.0004572300000000, -0.0001567600000000, 0.0008447800000000 ] - [ 0.0001318500000000, -0.0005046600000000, 0.0001800800000000 ] - [ -0.0024963700000000, -0.0005612100000000, 0.0032099700000000 ] - [ -0.0000163000000000, -0.0004073100000000, 0.0007334100000000 ] - [ 0.0035324300000000, 0.0039028300000000, 0.0043478400000000 ] - [ -0.0005193300000000, 0.0000842100000000, 0.0005475500000000 ] - [ 0.0000820500000000, -0.0004569300000000, 0.0002278900000000 ] - [ 0.0003826500000000, -0.0004746800000000, 0.0003277100000000 ] - [ 0.0002113600000000, -0.0002150600000000, 0.0000833800000000 ] - [ -0.0002712700000000, -0.0002640900000000, 0.0003122300000000 ] - [ -0.0000571000000000, 0.0000858300000000, 0.0002750700000000 ] - [ 0.0491648400000000, -0.0724472400000000, -0.0964203800000000 ] - [ -0.0011266400000000, -0.0005183100000000, -0.0017193500000000 ] - [ 0.0017912000000000, 0.0004694000000000, -0.0008741100000000 ] - [ -0.0010289600000000, 0.0005749000000000, 0.0006937000000000 ] - [ -0.0074643500000000, 0.0029581900000000, -0.0085934700000000 ] - [ -0.0006475900000000, 0.0006133400000000, -0.0003008100000000 ] - [ -0.0015984100000000, -0.0011193800000000, 0.0000179000000000 ] - [ -0.0045480200000000, -0.0009114600000000, 0.0001952500000000 ] - [ -0.0003691800000000, -0.0008136900000000, 0.0020569300000000 ] - [ -0.0008906400000000, -0.0001740600000000, -0.0009358100000000 ] - [ -0.0011664800000000, -0.0002424400000000, 0.0016740200000000 ] - [ 0.0008499800000000, 0.0041592700000000, 0.0114278200000000 ] - [ 0.0000166700000000, 0.0007782600000000, -0.0018883100000000 ] - [ -0.0010594400000000, -0.0026203000000000, 0.0031015300000000 ] - [ 0.0006603200000000, 0.0003711200000000, 0.0002093900000000 ] - [ 0.0012234700000000, 0.0005412400000000, -0.0017785500000000 ] - [ 0.0007977200000000, 0.0000755600000000, 0.0004778700000000 ] - [ 0.0009740300000000, 0.0033457600000000, -0.0039538200000000 ] - [ -0.0014501900000000, -0.0003600500000000, 0.0009096800000000 ] - [ 0.0018443300000000, -0.0003281400000000, -0.0000851200000000 ] - [ -0.0002814000000000, -0.0002352100000000, -0.0003309500000000 ] - [ 0.0074450300000000, 0.0002643900000000, -0.0148723700000000 ] - [ -0.0016648000000000, 0.0008814800000000, 0.0003118700000000 ] - [ -0.0007085600000000, -0.0004954100000000, 0.0007388400000000 ] - [ -0.0107776200000000, -0.0013317100000000, -0.0031608300000000 ] - [ 0.0002312300000000, 0.0000615600000000, 0.0000470900000000 ] - [ 0.0001569900000000, -0.0000280000000000, -0.0000414000000000 ] - [ 0.0012062300000000, 0.0000495300000000, -0.0002832800000000 ] - [ 0.0059349300000000, -0.0009358300000000, -0.0008058800000000 ] - [ 0.0058860700000000, -0.0026892000000000, 0.0015502800000000 ] - [ -0.0000875700000000, 0.0003668400000000, 0.0001052800000000 ] - [ -0.0000159100000000, 0.0002002900000000, -0.0006511100000000 ] - [ -0.0006985900000000, 0.0005489100000000, 0.0009459300000000 ] - [ 0.0007077600000000, -0.0003673300000000, 0.0000959300000000 ] - [ -0.0008120800000000, 0.0000033900000000, -0.0004021600000000 ] - [ -0.0022486300000000, 0.0003462500000000, 0.0007486300000000 ] - [ -0.0003009900000000, -0.0004076700000000, -0.0005909400000000 ] - [ 0.0000034700000000, 0.0002078700000000, -0.0000307700000000 ] - [ 0.0008268500000000, -0.0003546700000000, 0.0004241200000000 ] - [ -0.0015987800000000, 0.0004775600000000, -0.0001531500000000 ] - [ 0.0001066600000000, 0.0001545800000000, 0.0001236100000000 ] - [ -0.0006951000000000, 0.0001061200000000, 0.0005801800000000 ] - [ -0.0004387500000000, 0.0000323800000000, -0.0001976700000000 ] - [ -0.0001457800000000, -0.0004924000000000, 0.0000834700000000 ] - [ -0.0008264300000000, -0.0004413800000000, 0.0009376800000000 ] - [ -0.0008109000000000, 0.0001174700000000, 0.0003930700000000 ] - [ -0.0009299700000000, -0.0004729400000000, 0.0011402100000000 ] - [ -0.0004225800000000, -0.0000322100000000, 0.0000968200000000 ] - [ 0.0000667100000000, -0.0001617600000000, -0.0003510100000000 ] - [ -0.0007715300000000, 0.0005903600000000, 0.0002635900000000 ] - [ -0.0019711700000000, 0.0003168200000000, 0.0006509400000000 ] - [ -0.0003961900000000, 0.0001024000000000, -0.0003475000000000 ] - [ -0.0002208500000000, -0.0000877000000000, -0.0005680800000000 ] - [ 0.0004106600000000, 0.0001675600000000, 0.0001104700000000 ] - [ -0.0004606900000000, -0.0000983400000000, -0.0005995200000000 ] - [ -0.0011519700000000, 0.0007131000000000, 0.0012419200000000 ] - [ -0.0024243100000000, -0.0009459700000000, 0.0022716500000000 ] - [ -0.0008170900000000, 0.0002595900000000, 0.0013159400000000 ] - [ -0.0002778300000000, 0.0000251400000000, -0.0002148500000000 ] - [ -0.0005643000000000, -0.0000228100000000, 0.0002909600000000 ]- atom: 53 displacement: [ 0.0057565208649526, 0.0000000000000000, -0.0081769473235044 ] forces: - [ 0.0115840200000000, 0.0073572000000000, -0.0089111300000000 ] - [ -0.0029603800000000, -0.0107688300000000, 0.0071866300000000 ] - [ 0.0011296000000000, 0.0002911700000000, -0.0018315900000000 ] - [ -0.0027532000000000, 0.0001233400000000, 0.0034860400000000 ] - [ 0.0012342200000000, -0.0001743600000000, 0.0001268800000000 ] - [ 0.0031551200000000, 0.0049940800000000, -0.0123221100000000 ] - [ -0.0045379200000000, -0.0005453600000000, -0.0035846500000000 ] - [ -0.0023944100000000, 0.0000990800000000, 0.0008846700000000 ] - [ -0.0007075900000000, 0.0004091400000000, 0.0003555100000000 ] - [ -0.0008969900000000, 0.0000461800000000, -0.0002229700000000 ] - [ -0.0021851600000000, 0.0004093300000000, 0.0006460300000000 ] - [ 0.0006515800000000, 0.0000505400000000, 0.0002606000000000 ] - [ -0.0021201400000000, -0.0002688900000000, 0.0016984200000000 ] - [ -0.0008288500000000, 0.0001634600000000, 0.0008394500000000 ] - [ -0.0014166300000000, 0.0000513400000000, -0.0001272500000000 ] - [ 0.0011245200000000, -0.0001649200000000, -0.0020088600000000 ] - [ -0.0000677500000000, -0.0003934500000000, 0.0015012000000000 ] - [ -0.0000343200000000, -0.0003930700000000, 0.0001870200000000 ] - [ 0.0002771300000000, -0.0003032200000000, 0.0002047700000000 ] - [ -0.0002096900000000, -0.0001637800000000, 0.0005140400000000 ] - [ 0.0379190500000000, -0.0728310000000000, -0.0963783200000000 ] - [ -0.0037309700000000, 0.0006803500000000, 0.0003271500000000 ] - [ -0.0027407100000000, 0.0001837500000000, 0.0034162000000000 ] - [ -0.0012038500000000, 0.0000549500000000, -0.0004241300000000 ] - [ -0.0012662200000000, 0.0005887600000000, 0.0021260400000000 ] - [ 0.0052158100000000, 0.0001191800000000, -0.0003519100000000 ] - [ 0.0054913300000000, 0.0013550800000000, 0.0011886000000000 ] - [ -0.0030894000000000, -0.0002513200000000, 0.0031629700000000 ] - [ -0.0014854100000000, -0.0008523100000000, 0.0022190300000000 ] - [ 0.0006335100000000, -0.0003170800000000, 0.0002485300000000 ] - [ -0.0009368600000000, -0.0004154200000000, 0.0004604200000000 ] - [ -0.0005471700000000, -0.0000444600000000, -0.0009623600000000 ] - [ -0.0000567700000000, -0.0001139100000000, 0.0001943100000000 ] - [ -0.0031140900000000, -0.0006540300000000, -0.0043580600000000 ] - [ 0.0006696000000000, 0.0007684200000000, 0.0007573300000000 ] - [ -0.0009546400000000, -0.0008015700000000, 0.0003742800000000 ] - [ -0.0003451600000000, -0.0000645500000000, 0.0006628300000000 ] - [ 0.0011984500000000, 0.0004601500000000, -0.0001867900000000 ] - [ -0.0003578100000000, 0.0000643400000000, 0.0001382400000000 ] - [ -0.0013259700000000, -0.0005731500000000, 0.0020342700000000 ] - [ -0.0007774000000000, -0.0000019600000000, -0.0000274500000000 ] - [ 0.0002277800000000, -0.0006314400000000, -0.0005273100000000 ] - [ 0.0000999000000000, -0.0002949500000000, -0.0004812100000000 ] - [ 0.0028908000000000, 0.0001357900000000, -0.0028693400000000 ] - [ -0.0004010400000000, -0.0000202000000000, -0.0010605900000000 ] - [ -0.0032442400000000, -0.0037715200000000, -0.0042323100000000 ] - [ 0.0002142800000000, 0.0000659700000000, -0.0007167000000000 ] - [ -0.0003099400000000, -0.0003338100000000, 0.0000840300000000 ] - [ -0.0001525200000000, -0.0003285600000000, -0.0006296400000000 ] - [ 0.0002033800000000, -0.0002150500000000, 0.0002375900000000 ] - [ -0.0001511200000000, -0.0001616600000000, -0.0006386600000000 ] - [ 0.0003620400000000, 0.0000658000000000, -0.0001118600000000 ] - [ -0.0491550700000000, 0.0769481000000000, 0.0985289400000000 ] - [ 0.0015481700000000, 0.0009068100000000, 0.0004910700000000 ] - [ -0.0018002000000000, -0.0000187500000000, 0.0018399700000000 ] - [ 0.0015203300000000, -0.0007142000000000, -0.0003672800000000 ] - [ 0.0074171300000000, -0.0030074100000000, 0.0081276600000000 ] - [ 0.0002065000000000, -0.0002133600000000, 0.0015089000000000 ] - [ 0.0019830800000000, 0.0002500000000000, -0.0000023600000000 ] - [ 0.0054110900000000, 0.0011826900000000, -0.0004765500000000 ] - [ 0.0009066800000000, 0.0003471500000000, -0.0018215600000000 ] - [ 0.0005065900000000, 0.0004073100000000, 0.0014802000000000 ] - [ 0.0012866800000000, 0.0004277800000000, -0.0016223600000000 ] - [ -0.0016011500000000, -0.0038671800000000, -0.0110513000000000 ] - [ 0.0009068500000000, -0.0007618400000000, 0.0019038600000000 ] - [ 0.0006755800000000, 0.0017054500000000, -0.0030746900000000 ] - [ -0.0006280900000000, -0.0000863100000000, -0.0000499900000000 ] - [ -0.0017590400000000, 0.0000489100000000, 0.0018459100000000 ] - [ -0.0011456200000000, -0.0002030300000000, 0.0002193700000000 ] - [ -0.0005687900000000, -0.0028963300000000, 0.0035474400000000 ] - [ 0.0009098500000000, -0.0001039400000000, -0.0011343800000000 ] - [ -0.0018759200000000, 0.0006130000000000, -0.0000731900000000 ] - [ -0.0006240100000000, 0.0002264200000000, 0.0003090600000000 ] - [ -0.0074930400000000, 0.0001843400000000, 0.0140437800000000 ] - [ 0.0015442700000000, -0.0007019600000000, -0.0003525100000000 ] - [ 0.0002154600000000, 0.0003550400000000, -0.0010592300000000 ] - [ 0.0110635500000000, 0.0015584300000000, 0.0025806100000000 ] - [ -0.0006346400000000, 0.0003916800000000, 0.0003722100000000 ] - [ -0.0008686000000000, -0.0001503700000000, 0.0002043300000000 ] - [ -0.0004917000000000, -0.0002261300000000, 0.0001216500000000 ] - [ -0.0055939700000000, 0.0008383100000000, 0.0001429800000000 ] - [ -0.0057324800000000, 0.0026526700000000, -0.0010444500000000 ] - [ 0.0006053100000000, 0.0002116900000000, -0.0001905000000000 ] - [ 0.0004517800000000, 0.0001989000000000, -0.0005517500000000 ] - [ 0.0007120400000000, -0.0000778500000000, 0.0000366700000000 ] - [ -0.0002120400000000, 0.0002264100000000, 0.0002286300000000 ] - [ 0.0007089500000000, -0.0000182500000000, -0.0001292400000000 ] - [ 0.0017984000000000, 0.0000554600000000, 0.0004539600000000 ] - [ 0.0006870200000000, -0.0004635200000000, 0.0006054900000000 ] - [ 0.0008025800000000, 0.0000397700000000, -0.0002578400000000 ] - [ -0.0002892700000000, -0.0001096600000000, -0.0001957700000000 ] - [ 0.0012099300000000, -0.0002426600000000, 0.0006909600000000 ] - [ 0.0000116200000000, 0.0000271800000000, -0.0000831300000000 ] - [ -0.0001140200000000, 0.0001409900000000, -0.0002909800000000 ] - [ 0.0013400900000000, -0.0000431100000000, 0.0002213400000000 ] - [ -0.0002408100000000, -0.0003808300000000, -0.0001000700000000 ] - [ 0.0008562800000000, 0.0007238700000000, -0.0007737100000000 ] - [ 0.0002887600000000, 0.0004601500000000, -0.0003067400000000 ] - [ 0.0005809700000000, 0.0003423200000000, -0.0004363500000000 ] - [ 0.0008241700000000, 0.0004851500000000, -0.0005171100000000 ] - [ -0.0006033500000000, -0.0003029300000000, 0.0001226400000000 ] - [ 0.0007378400000000, -0.0003046900000000, -0.0004220500000000 ] - [ 0.0010588500000000, -0.0003269900000000, -0.0006712800000000 ] - [ 0.0003772900000000, 0.0003665400000000, -0.0006339700000000 ] - [ 0.0001011300000000, 0.0002685700000000, 0.0005248100000000 ] - [ -0.0009048200000000, -0.0003074600000000, -0.0004349100000000 ] - [ 0.0008397700000000, 0.0003308300000000, 0.0000572400000000 ] - [ 0.0007461100000000, -0.0002577000000000, -0.0008175800000000 ] - [ 0.0017068900000000, 0.0007648600000000, -0.0020993800000000 ] - [ 0.0015283100000000, -0.0004382400000000, -0.0014769000000000 ] - [ 0.0006218500000000, -0.0001531400000000, -0.0004870700000000 ] - [ 0.0006611000000000, 0.0000075300000000, 0.0002385500000000 ]- atom: 54 displacement: [ 0.0099999987502926, 0.0000000000000000, -0.0000049994145799 ] forces: - [ -0.0047810800000000, 0.0012303900000000, -0.0000009300000000 ] - [ 0.0138083000000000, 0.0034036000000000, 0.0001495800000000 ] - [ -0.0018549800000000, 0.0003737600000000, -0.0010618600000000 ] - [ 0.0068460300000000, 0.0011086200000000, 0.0042695200000000 ] - [ 0.0002900300000000, -0.0001180300000000, -0.0000455800000000 ] - [ 0.0138215700000000, 0.0007826000000000, -0.0048855000000000 ] - [ -0.0024883600000000, -0.0003497500000000, 0.0004929100000000 ] - [ -0.0006218500000000, 0.0001725700000000, 0.0006174400000000 ] - [ -0.0019547500000000, 0.0003972900000000, -0.0006632400000000 ] - [ -0.0023357100000000, 0.0000883500000000, -0.0005216600000000 ] - [ -0.0056308600000000, 0.0039407400000000, 0.0021074600000000 ] - [ -0.0010354500000000, -0.0001232800000000, 0.0001854300000000 ] - [ 0.0009558200000000, -0.0004892800000000, 0.0013001100000000 ] - [ -0.0011717900000000, 0.0002166900000000, 0.0005113600000000 ] - [ -0.0049851700000000, -0.0027777100000000, -0.0050034500000000 ] - [ 0.0019717000000000, 0.0002494700000000, -0.0027703800000000 ] - [ 0.0000233700000000, -0.0002943000000000, 0.0007958200000000 ] - [ -0.0003098200000000, -0.0002255300000000, -0.0004465400000000 ] - [ 0.0001402400000000, -0.0002539200000000, -0.0002386600000000 ] - [ -0.0004560000000000, -0.0001005300000000, 0.0005342300000000 ] - [ -0.0026498600000000, -0.0026095200000000, 0.0039181900000000 ] - [ 0.1021858300000000, 0.0431397600000000, -0.0758437300000000 ] - [ -0.0010157000000000, 0.0000680500000000, 0.0022848100000000 ] - [ -0.0011540000000000, -0.0000800500000000, 0.0003960100000000 ] - [ 0.0005341500000000, 0.0006723700000000, -0.0006980800000000 ] - [ -0.0034643200000000, -0.0010075500000000, -0.0024800000000000 ] - [ 0.0028503900000000, 0.0001993100000000, 0.0032776400000000 ] - [ -0.0010995900000000, 0.0000122800000000, 0.0027280000000000 ] - [ 0.0018461100000000, 0.0010182800000000, -0.0063690000000000 ] - [ -0.0013006800000000, 0.0001706500000000, -0.0012747000000000 ] - [ -0.0020386000000000, -0.0002163500000000, -0.0007587300000000 ] - [ -0.0018324300000000, 0.0001194200000000, -0.0004098900000000 ] - [ -0.0003124900000000, -0.0001652600000000, -0.0012424300000000 ] - [ 0.0079038800000000, 0.0050010700000000, -0.0026925900000000 ] - [ -0.0012989000000000, 0.0008240600000000, 0.0012288500000000 ] - [ -0.0033605800000000, -0.0017312800000000, 0.0006623200000000 ] - [ -0.0001245300000000, -0.0005045900000000, -0.0004887900000000 ] - [ 0.0007128000000000, 0.0006372600000000, -0.0011810400000000 ] - [ -0.0014845800000000, 0.0001769400000000, 0.0002751700000000 ] - [ -0.0001656900000000, -0.0002912100000000, 0.0050664300000000 ] - [ 0.0001843200000000, 0.0000587100000000, 0.0004958200000000 ] - [ 0.0002911300000000, -0.0005648800000000, -0.0005991200000000 ] - [ 0.0001025900000000, -0.0005225600000000, 0.0001229400000000 ] - [ 0.0011179100000000, -0.0001684100000000, -0.0012637300000000 ] - [ -0.0004752700000000, -0.0002979900000000, 0.0007534500000000 ] - [ 0.0003875900000000, 0.0002418600000000, -0.0016230100000000 ] - [ 0.0006831700000000, -0.0000630100000000, -0.0011319200000000 ] - [ -0.0000784100000000, -0.0003499900000000, 0.0004570700000000 ] - [ 0.0003464000000000, -0.0002548700000000, -0.0006674400000000 ] - [ 0.0002303900000000, -0.0001496700000000, 0.0007854200000000 ] - [ 0.0003973500000000, -0.0003134900000000, -0.0008915000000000 ] - [ 0.0004125100000000, 0.0000975800000000, 0.0003412200000000 ] - [ 0.0011802800000000, 0.0000134400000000, -0.0010324700000000 ] - [ -0.1477966900000000, -0.0514983300000000, 0.0958321400000000 ] - [ 0.0014061100000000, -0.0000345700000000, 0.0007874500000000 ] - [ 0.0003545000000000, -0.0001485300000000, -0.0004998100000000 ] - [ 0.0035263200000000, 0.0002998900000000, -0.0000479500000000 ] - [ 0.0007067900000000, -0.0000937600000000, 0.0003213800000000 ] - [ 0.0009008200000000, -0.0002944600000000, -0.0002770700000000 ] - [ 0.0018073500000000, 0.0001165100000000, -0.0016131000000000 ] - [ -0.0008070300000000, -0.0009676800000000, 0.0004917200000000 ] - [ 0.0009551100000000, 0.0000576700000000, 0.0007133200000000 ] - [ -0.0051550800000000, 0.0001240600000000, 0.0026096100000000 ] - [ 0.0022454000000000, 0.0026466000000000, 0.0055505800000000 ] - [ -0.0030296600000000, -0.0018502000000000, 0.0029531800000000 ] - [ -0.0039345000000000, -0.0005712700000000, 0.0063488900000000 ] - [ 0.0006158000000000, 0.0003713400000000, 0.0003813100000000 ] - [ 0.0010459400000000, 0.0001805700000000, 0.0004397400000000 ] - [ 0.0009752400000000, -0.0002650500000000, 0.0012733700000000 ] - [ -0.0026698300000000, 0.0009029400000000, -0.0015723600000000 ] - [ -0.0001013600000000, -0.0004060600000000, -0.0011435400000000 ] - [ -0.0016624900000000, 0.0009780500000000, -0.0002700100000000 ] - [ 0.0003177500000000, -0.0000290500000000, 0.0001347200000000 ] - [ 0.0134811000000000, 0.0060157800000000, -0.0111445300000000 ] - [ 0.0007362000000000, -0.0001021600000000, -0.0005843800000000 ] - [ -0.0012997800000000, -0.0001226200000000, -0.0006279400000000 ] - [ -0.0112035200000000, 0.0014186400000000, -0.0006583500000000 ] - [ 0.0003077400000000, 0.0002199900000000, 0.0005605300000000 ] - [ -0.0004479500000000, -0.0004224000000000, 0.0007235800000000 ] - [ 0.0000578500000000, -0.0007289800000000, -0.0008447700000000 ] - [ -0.0018189800000000, -0.0042453400000000, -0.0035966300000000 ] - [ 0.0039589100000000, 0.0002409400000000, 0.0020002000000000 ] - [ 0.0010380600000000, 0.0003032600000000, 0.0002173100000000 ] - [ 0.0010185600000000, 0.0004326000000000, -0.0008213800000000 ] - [ 0.0016524300000000, -0.0001411200000000, 0.0004138500000000 ] - [ 0.0001395000000000, 0.0000793400000000, 0.0005056600000000 ] - [ 0.0023627100000000, -0.0001340300000000, 0.0007049400000000 ] - [ -0.0011115700000000, 0.0006141700000000, 0.0031528400000000 ] - [ 0.0002401800000000, -0.0000797400000000, 0.0014125700000000 ] - [ 0.0009596100000000, -0.0002266600000000, 0.0008040700000000 ] - [ 0.0004606000000000, -0.0001465600000000, -0.0002289400000000 ] - [ 0.0191449500000000, 0.0009563400000000, -0.0021504800000000 ] - [ 0.0007229100000000, 0.0002681900000000, -0.0001601400000000 ] - [ 0.0005713700000000, 0.0001326500000000, -0.0006060200000000 ] - [ 0.0011221900000000, 0.0001136700000000, -0.0000792200000000 ] - [ 0.0004641100000000, -0.0005978000000000, 0.0000025700000000 ] - [ -0.0016231300000000, -0.0003737200000000, -0.0017437200000000 ] - [ 0.0023690600000000, 0.0006093200000000, -0.0005718200000000 ] - [ 0.0021265200000000, 0.0009393500000000, -0.0022848100000000 ] - [ 0.0005661000000000, 0.0002693700000000, -0.0001666900000000 ] - [ -0.0002959900000000, -0.0000865800000000, 0.0007283100000000 ] - [ 0.0002115900000000, -0.0000375100000000, -0.0002302200000000 ] - [ -0.0005031300000000, -0.0069790200000000, -0.0106813400000000 ] - [ 0.0009485600000000, 0.0004264900000000, -0.0002670000000000 ] - [ -0.0002142700000000, -0.0000906500000000, 0.0016718500000000 ] - [ -0.0000584000000000, -0.0000293700000000, -0.0002831300000000 ] - [ 0.0011509000000000, 0.0002084400000000, 0.0000588400000000 ] - [ 0.0004230200000000, 0.0000222900000000, -0.0038157100000000 ] - [ -0.0001460600000000, 0.0007605900000000, -0.0022383200000000 ] - [ 0.0000472600000000, 0.0002554500000000, 0.0000987000000000 ] - [ 0.0008859800000000, -0.0000012300000000, 0.0000369900000000 ] - [ 0.0021118700000000, 0.0003478300000000, 0.0008079200000000 ]- atom: 54 displacement: [ -0.0099999987502926, 0.0000000000000000, 0.0000049994145799 ] forces: - [ 0.0047675600000000, -0.0003620800000000, 0.0000160900000000 ] - [ -0.0139832400000000, -0.0030872300000000, -0.0005628800000000 ] - [ 0.0016167200000000, 0.0002244400000000, -0.0001651300000000 ] - [ -0.0070789200000000, -0.0010357400000000, -0.0038452200000000 ] - [ -0.0002928100000000, -0.0003353100000000, 0.0000393500000000 ] - [ -0.0135872600000000, -0.0002669000000000, 0.0059181900000000 ] - [ 0.0030092700000000, 0.0002055600000000, 0.0002139700000000 ] - [ 0.0008565800000000, -0.0001039400000000, -0.0010443500000000 ] - [ 0.0019569700000000, 0.0004731800000000, 0.0006664000000000 ] - [ 0.0018157800000000, -0.0002329100000000, -0.0001846000000000 ] - [ 0.0053986700000000, -0.0033739600000000, -0.0033520200000000 ] - [ 0.0008006800000000, 0.0001913000000000, 0.0002368300000000 ] - [ -0.0009544700000000, 0.0000361600000000, -0.0013029900000000 ] - [ 0.0014069000000000, 0.0003815200000000, 0.0007148100000000 ] - [ 0.0055108800000000, 0.0026607800000000, 0.0057409800000000 ] - [ -0.0017487400000000, -0.0001789800000000, 0.0023289700000000 ] - [ 0.0004723900000000, -0.0001058600000000, -0.0007047100000000 ] - [ -0.0001882900000000, -0.0002475900000000, 0.0003497200000000 ] - [ 0.0003513600000000, -0.0001519600000000, 0.0003389900000000 ] - [ -0.0000372900000000, -0.0003743500000000, -0.0006345800000000 ] - [ 0.0024904200000000, 0.0014573400000000, -0.0031962300000000 ] - [ -0.1061069800000000, -0.0452843900000000, 0.0794673000000000 ] - [ 0.0017130100000000, 0.0001354500000000, -0.0012658900000000 ] - [ 0.0017782500000000, 0.0001287500000000, 0.0001741700000000 ] - [ -0.0016077900000000, 0.0004741400000000, 0.0007329600000000 ] - [ 0.0036477600000000, -0.0001693500000000, 0.0017219600000000 ] - [ -0.0021804100000000, -0.0006673500000000, -0.0033488000000000 ] - [ 0.0021755300000000, 0.0011344100000000, -0.0027673000000000 ] - [ -0.0025253700000000, -0.0008373600000000, 0.0053305300000000 ] - [ 0.0006325500000000, -0.0006420000000000, 0.0013259100000000 ] - [ 0.0018461500000000, -0.0009627900000000, 0.0015172400000000 ] - [ 0.0012075800000000, -0.0000710800000000, -0.0001617000000000 ] - [ 0.0009988800000000, 0.0003661100000000, 0.0022604900000000 ] - [ -0.0073888600000000, -0.0049134500000000, 0.0032335400000000 ] - [ 0.0002303400000000, 0.0003220500000000, -0.0011991400000000 ] - [ 0.0035619700000000, 0.0005599200000000, -0.0014237400000000 ] - [ 0.0007889200000000, 0.0000326200000000, 0.0004322700000000 ] - [ 0.0003559000000000, 0.0005110400000000, 0.0011400000000000 ] - [ 0.0007891500000000, 0.0000274200000000, -0.0012961400000000 ] - [ -0.0004973400000000, -0.0001718600000000, -0.0050168400000000 ] - [ -0.0004939900000000, 0.0000954700000000, -0.0006447600000000 ] - [ -0.0005480700000000, -0.0002208500000000, 0.0009134600000000 ] - [ 0.0001562000000000, -0.0002712300000000, -0.0004285400000000 ] - [ -0.0007221700000000, -0.0002725400000000, 0.0015728800000000 ] - [ 0.0000749300000000, -0.0001396200000000, -0.0010647600000000 ] - [ -0.0000880400000000, -0.0000930700000000, 0.0017809500000000 ] - [ -0.0009943500000000, 0.0002146700000000, 0.0009808700000000 ] - [ -0.0001783300000000, -0.0004425700000000, -0.0001499200000000 ] - [ -0.0000915000000000, -0.0005449500000000, 0.0003687500000000 ] - [ 0.0001719300000000, -0.0002874200000000, -0.0004728200000000 ] - [ -0.0008023800000000, -0.0001198500000000, 0.0005779300000000 ] - [ -0.0000996500000000, 0.0000565400000000, -0.0001916800000000 ] - [ -0.0006685400000000, 0.0005616800000000, 0.0009362700000000 ] - [ 0.1514996000000000, 0.0535504800000000, -0.1013571500000000 ] - [ -0.0013864700000000, 0.0005044900000000, 0.0001957900000000 ] - [ 0.0001350600000000, 0.0000096300000000, 0.0008233600000000 ] - [ -0.0036252700000000, -0.0003109500000000, -0.0004831100000000 ] - [ -0.0011429400000000, 0.0004932900000000, 0.0008828200000000 ] - [ -0.0005169700000000, -0.0005825500000000, 0.0002920900000000 ] - [ -0.0009998500000000, 0.0001309100000000, 0.0013215400000000 ] - [ 0.0013499700000000, 0.0005020400000000, -0.0002609100000000 ] - [ -0.0013325600000000, 0.0001749400000000, -0.0001713500000000 ] - [ 0.0052591800000000, 0.0000638000000000, -0.0025535300000000 ] - [ -0.0030258500000000, -0.0023862200000000, -0.0052334300000000 ] - [ 0.0039464900000000, 0.0018380100000000, -0.0029274500000000 ] - [ 0.0035184200000000, -0.0002954300000000, -0.0063812400000000 ] - [ -0.0005848000000000, -0.0000874100000000, -0.0002205100000000 ] - [ -0.0015629200000000, 0.0003977300000000, -0.0003534300000000 ] - [ -0.0013186500000000, 0.0001333200000000, -0.0005651600000000 ] - [ 0.0030736400000000, -0.0004529100000000, 0.0011664900000000 ] - [ -0.0004422500000000, -0.0000594500000000, 0.0009153900000000 ] - [ 0.0016362100000000, -0.0006951000000000, 0.0001162000000000 ] - [ -0.0012186300000000, 0.0000182300000000, -0.0001576700000000 ] - [ -0.0133195900000000, -0.0055030800000000, 0.0100134000000000 ] - [ -0.0008573100000000, 0.0002879400000000, 0.0005427600000000 ] - [ 0.0008110900000000, -0.0000176400000000, 0.0003062500000000 ] - [ 0.0116018600000000, -0.0011698300000000, 0.0001457200000000 ] - [ -0.0007100200000000, 0.0002356000000000, -0.0001366100000000 ] - [ -0.0002693900000000, 0.0002404800000000, -0.0005542900000000 ] - [ 0.0006604300000000, 0.0005494900000000, 0.0006852200000000 ] - [ 0.0021631700000000, 0.0041164700000000, 0.0028989500000000 ] - [ -0.0038490500000000, -0.0002476400000000, -0.0014669500000000 ] - [ -0.0005182900000000, 0.0002733400000000, -0.0003057900000000 ] - [ -0.0005820000000000, -0.0000330100000000, -0.0003829700000000 ] - [ -0.0016351500000000, 0.0006096100000000, 0.0005695500000000 ] - [ 0.0003550600000000, -0.0002192100000000, -0.0001791200000000 ] - [ -0.0024710300000000, 0.0001208600000000, -0.0012411800000000 ] - [ 0.0007050000000000, -0.0002210800000000, -0.0019710700000000 ] - [ 0.0001593100000000, -0.0008014700000000, -0.0013961300000000 ] - [ -0.0001500200000000, 0.0004754100000000, -0.0011013100000000 ] - [ 0.0000826800000000, -0.0003189000000000, 0.0004603500000000 ] - [ -0.0199865300000000, -0.0007592200000000, 0.0028002500000000 ] - [ -0.0006017000000000, -0.0000823800000000, 0.0002020600000000 ] - [ -0.0013790500000000, 0.0001148400000000, 0.0008977300000000 ] - [ -0.0002201700000000, -0.0001250000000000, 0.0001028500000000 ] - [ -0.0008477700000000, -0.0002793600000000, -0.0000174400000000 ] - [ 0.0016495800000000, 0.0006566600000000, 0.0019055400000000 ] - [ -0.0029039100000000, -0.0000345000000000, 0.0006653500000000 ] - [ -0.0024815900000000, -0.0010727800000000, 0.0030046000000000 ] - [ -0.0001618700000000, 0.0001859800000000, -0.0002566400000000 ] - [ -0.0002430800000000, -0.0003794900000000, -0.0009543900000000 ] - [ -0.0002397600000000, 0.0003210200000000, 0.0000718400000000 ] - [ -0.0003967100000000, 0.0070432800000000, 0.0107438700000000 ] - [ -0.0009664400000000, 0.0000452000000000, -0.0007188100000000 ] - [ 0.0001035000000000, 0.0002795900000000, -0.0017143300000000 ] - [ -0.0004309500000000, -0.0001094100000000, -0.0000384000000000 ] - [ -0.0007722000000000, 0.0000243900000000, -0.0006010300000000 ] - [ -0.0008231600000000, 0.0004363500000000, 0.0042406500000000 ] - [ -0.0005744400000000, -0.0009428700000000, 0.0024066200000000 ] - [ 0.0006710100000000, -0.0004365600000000, -0.0002649300000000 ] - [ -0.0005397100000000, -0.0001300900000000, -0.0007431900000000 ] - [ -0.0020116300000000, -0.0003618600000000, -0.0002747600000000 ]- atom: 54 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005649900000000, 0.0010954100000000, 0.0011604700000000 ] - [ 0.0063940600000000, 0.0082013100000000, 0.0044477500000000 ] - [ -0.0008656200000000, 0.0003450100000000, -0.0006796600000000 ] - [ 0.0016295200000000, -0.0004903500000000, -0.0003918500000000 ] - [ -0.0003229200000000, -0.0002090000000000, -0.0002228000000000 ] - [ -0.0046116300000000, 0.0120179900000000, 0.0154323300000000 ] - [ -0.0003491300000000, -0.0001443800000000, 0.0008046800000000 ] - [ 0.0001978500000000, 0.0000685200000000, 0.0000226700000000 ] - [ -0.0004131700000000, 0.0004021800000000, -0.0003446900000000 ] - [ -0.0008527200000000, -0.0000392900000000, -0.0005297000000000 ] - [ 0.0000138900000000, 0.0001195500000000, -0.0004616100000000 ] - [ -0.0006114900000000, -0.0000233900000000, 0.0000576700000000 ] - [ 0.0006982900000000, -0.0003003800000000, 0.0002737600000000 ] - [ -0.0001633800000000, 0.0002857900000000, 0.0005494400000000 ] - [ -0.0009197700000000, -0.0007360300000000, -0.0009848900000000 ] - [ -0.0001449800000000, 0.0000880100000000, -0.0003747000000000 ] - [ 0.0003617800000000, -0.0000918200000000, 0.0000278600000000 ] - [ -0.0002866700000000, -0.0002258800000000, -0.0002024700000000 ] - [ 0.0002121900000000, -0.0002013700000000, -0.0000468900000000 ] - [ -0.0003016400000000, -0.0001882800000000, 0.0000309700000000 ] - [ 0.0000673600000000, -0.0017998100000000, 0.0021580200000000 ] - [ 0.0501728200000000, 0.0524589700000000, -0.0501174000000000 ] - [ 0.0002518800000000, 0.0001057400000000, 0.0011675300000000 ] - [ -0.0000277300000000, -0.0000109000000000, 0.0003976600000000 ] - [ -0.0001487800000000, 0.0006311200000000, -0.0004795000000000 ] - [ -0.0022758100000000, -0.0013212000000000, -0.0012622200000000 ] - [ 0.0004291500000000, 0.0000161200000000, -0.0002055400000000 ] - [ 0.0004760900000000, 0.0004267200000000, 0.0006406500000000 ] - [ 0.0008599700000000, 0.0000894200000000, -0.0018886900000000 ] - [ -0.0008565400000000, -0.0000778300000000, -0.0005280300000000 ] - [ -0.0004769500000000, -0.0005255900000000, 0.0000581700000000 ] - [ -0.0008324600000000, 0.0000546600000000, -0.0003125100000000 ] - [ 0.0003638400000000, 0.0000975100000000, 0.0001720000000000 ] - [ 0.0047862400000000, -0.0060464200000000, 0.0025593600000000 ] - [ -0.0008219700000000, 0.0005616900000000, 0.0000067800000000 ] - [ -0.0009738900000000, -0.0009021700000000, -0.0007028800000000 ] - [ 0.0002887900000000, -0.0003389600000000, -0.0002196600000000 ] - [ 0.0003646700000000, 0.0006380700000000, -0.0003336800000000 ] - [ -0.0007298800000000, 0.0001456500000000, -0.0004976600000000 ] - [ -0.0002014700000000, 0.0002337600000000, 0.0022191600000000 ] - [ 0.0000364000000000, 0.0000663800000000, 0.0001238600000000 ] - [ -0.0000967500000000, -0.0003895600000000, 0.0000279700000000 ] - [ 0.0001268100000000, -0.0004495900000000, -0.0000322800000000 ] - [ 0.0001893800000000, -0.0003119000000000, -0.0001311700000000 ] - [ -0.0003135500000000, -0.0002703000000000, 0.0002333100000000 ] - [ -0.0007401200000000, -0.0004815900000000, 0.0005073300000000 ] - [ 0.0001139300000000, 0.0000038400000000, -0.0002122400000000 ] - [ -0.0000734400000000, -0.0003982400000000, 0.0002519500000000 ] - [ 0.0001469200000000, -0.0003763000000000, -0.0001770700000000 ] - [ 0.0002235800000000, -0.0001956500000000, 0.0002770200000000 ] - [ -0.0000335800000000, -0.0002610600000000, -0.0002482900000000 ] - [ 0.0002030400000000, 0.0000863700000000, 0.0001698000000000 ] - [ -0.0003576300000000, 0.0012967000000000, -0.0013573400000000 ] - [ -0.0523649400000000, -0.0897157200000000, 0.0125809900000000 ] - [ 0.0008129100000000, 0.0000020500000000, 0.0003053800000000 ] - [ 0.0000664200000000, 0.0000059200000000, -0.0000522900000000 ] - [ 0.0005694800000000, 0.0004367400000000, -0.0006588800000000 ] - [ 0.0000762600000000, 0.0001324500000000, 0.0004183900000000 ] - [ 0.0002565800000000, -0.0004556400000000, -0.0001694300000000 ] - [ 0.0007375500000000, 0.0001061700000000, -0.0007640400000000 ] - [ 0.0000432000000000, -0.0002929000000000, 0.0005556600000000 ] - [ 0.0001534800000000, 0.0000667000000000, 0.0003270400000000 ] - [ -0.0022256000000000, 0.0014271100000000, 0.0016104800000000 ] - [ 0.0003434700000000, 0.0040969300000000, 0.0014650400000000 ] - [ 0.0018850500000000, 0.0037183700000000, 0.0009377400000000 ] - [ -0.0014733600000000, -0.0027501200000000, 0.0012711100000000 ] - [ 0.0003734800000000, 0.0002624300000000, 0.0002607200000000 ] - [ 0.0002551800000000, 0.0004883300000000, -0.0001013800000000 ] - [ 0.0004118900000000, -0.0001279100000000, 0.0007376100000000 ] - [ 0.0008598500000000, -0.0005959800000000, 0.0002510500000000 ] - [ -0.0004085700000000, -0.0003330000000000, -0.0004114600000000 ] - [ 0.0000921800000000, 0.0000836000000000, 0.0000623600000000 ] - [ -0.0001447700000000, -0.0000145700000000, 0.0000516300000000 ] - [ 0.0037028400000000, -0.0009568800000000, -0.0048157800000000 ] - [ 0.0000530200000000, 0.0000991400000000, -0.0002631400000000 ] - [ -0.0005878400000000, -0.0002622100000000, -0.0001340000000000 ] - [ 0.0003349600000000, 0.0293235900000000, -0.0020997100000000 ] - [ 0.0000513400000000, 0.0001999300000000, 0.0003432300000000 ] - [ -0.0002345900000000, -0.0001701100000000, 0.0002940700000000 ] - [ 0.0004647100000000, -0.0001278600000000, -0.0000093700000000 ] - [ -0.0001444000000000, 0.0017028700000000, -0.0004797200000000 ] - [ 0.0040223700000000, -0.0008965600000000, 0.0010205500000000 ] - [ 0.0004310700000000, 0.0003143600000000, 0.0000789600000000 ] - [ 0.0004528800000000, 0.0002782300000000, -0.0006508500000000 ] - [ 0.0002837500000000, 0.0003302400000000, 0.0006795800000000 ] - [ 0.0004053100000000, -0.0001176900000000, 0.0003031600000000 ] - [ 0.0003801200000000, -0.0000624000000000, 0.0000085600000000 ] - [ -0.0006438800000000, 0.0007576900000000, 0.0025588700000000 ] - [ 0.0001591600000000, -0.0002147000000000, 0.0002052600000000 ] - [ 0.0004793600000000, 0.0000645500000000, 0.0001665600000000 ] - [ 0.0004417100000000, -0.0002498200000000, 0.0001714400000000 ] - [ -0.0005195200000000, -0.0056141900000000, 0.0041663900000000 ] - [ 0.0002877700000000, 0.0001616100000000, 0.0000416100000000 ] - [ -0.0001688500000000, 0.0001288500000000, 0.0000634400000000 ] - [ 0.0005716800000000, 0.0000416700000000, -0.0000521900000000 ] - [ 0.0000506100000000, -0.0005046000000000, 0.0000657800000000 ] - [ -0.0008950000000000, -0.0004808500000000, -0.0003056700000000 ] - [ 0.0001508700000000, 0.0002767300000000, 0.0001487500000000 ] - [ 0.0011435000000000, -0.0005812700000000, -0.0005699100000000 ] - [ 0.0002395200000000, 0.0002104600000000, -0.0001745400000000 ] - [ -0.0001263500000000, -0.0001934600000000, 0.0000814100000000 ] - [ -0.0000575100000000, 0.0001392000000000, -0.0001109500000000 ] - [ -0.0115537200000000, -0.0057509800000000, 0.0122681000000000 ] - [ 0.0002000200000000, 0.0002688900000000, -0.0003775200000000 ] - [ -0.0002027800000000, -0.0000991800000000, 0.0001912700000000 ] - [ -0.0000438100000000, 0.0000003400000000, -0.0000634800000000 ] - [ 0.0004431100000000, 0.0001243000000000, -0.0001783300000000 ] - [ 0.0004987300000000, 0.0022503100000000, -0.0019715600000000 ] - [ -0.0006792500000000, 0.0001652500000000, -0.0005712900000000 ] - [ 0.0000935200000000, 0.0000640100000000, 0.0001272300000000 ] - [ 0.0003230100000000, -0.0000387500000000, -0.0002351400000000 ] - [ 0.0006330400000000, 0.0001490800000000, 0.0005684300000000 ]- atom: 54 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005661500000000, -0.0002202800000000, -0.0011578100000000 ] - [ -0.0063680900000000, -0.0077869600000000, -0.0048101600000000 ] - [ 0.0006232300000000, 0.0002547600000000, -0.0005462000000000 ] - [ -0.0018412200000000, 0.0005689800000000, 0.0008380700000000 ] - [ 0.0003220000000000, -0.0002420400000000, 0.0002251700000000 ] - [ 0.0050135700000000, -0.0115529000000000, -0.0146417500000000 ] - [ 0.0008625000000000, -0.0000008700000000, -0.0000964900000000 ] - [ 0.0000350200000000, -0.0000004000000000, -0.0004437600000000 ] - [ 0.0004077700000000, 0.0004668700000000, 0.0003379200000000 ] - [ 0.0003234300000000, -0.0001041500000000, -0.0001758700000000 ] - [ -0.0002717000000000, 0.0005047600000000, -0.0007621700000000 ] - [ 0.0003731200000000, 0.0000905500000000, 0.0003697300000000 ] - [ -0.0006945500000000, -0.0001522400000000, -0.0002664500000000 ] - [ 0.0003954200000000, 0.0003134100000000, 0.0006758800000000 ] - [ 0.0014239400000000, 0.0005702400000000, 0.0016506700000000 ] - [ 0.0003823300000000, -0.0000233000000000, -0.0000420700000000 ] - [ 0.0001332700000000, -0.0003093600000000, 0.0000670000000000 ] - [ -0.0002077900000000, -0.0002479300000000, 0.0001077900000000 ] - [ 0.0002855800000000, -0.0002027800000000, 0.0001467000000000 ] - [ -0.0001938300000000, -0.0002860700000000, -0.0001280700000000 ] - [ -0.0002625700000000, 0.0006217000000000, -0.0013889100000000 ] - [ -0.0515019300000000, -0.0522007600000000, 0.0502362800000000 ] - [ 0.0004399000000000, 0.0000982200000000, -0.0001439700000000 ] - [ 0.0006474000000000, 0.0000591800000000, 0.0001738500000000 ] - [ -0.0009165500000000, 0.0005182800000000, 0.0005197400000000 ] - [ 0.0024457700000000, 0.0001331100000000, 0.0004940800000000 ] - [ 0.0002350600000000, -0.0004864200000000, 0.0001531500000000 ] - [ 0.0005883600000000, 0.0007178700000000, -0.0006673000000000 ] - [ -0.0015345200000000, 0.0000744700000000, 0.0008564300000000 ] - [ 0.0001887600000000, -0.0003924800000000, 0.0005802500000000 ] - [ 0.0002804800000000, -0.0006514600000000, 0.0006932500000000 ] - [ 0.0002027600000000, -0.0000055600000000, -0.0002573700000000 ] - [ 0.0003416400000000, 0.0001104600000000, 0.0008420900000000 ] - [ -0.0040746700000000, 0.0060351500000000, -0.0019750800000000 ] - [ -0.0002550100000000, 0.0005865200000000, 0.0000376300000000 ] - [ 0.0011533700000000, -0.0002823700000000, -0.0000500400000000 ] - [ 0.0003778800000000, -0.0001335500000000, 0.0001641400000000 ] - [ 0.0007085400000000, 0.0005089300000000, 0.0002951800000000 ] - [ 0.0000285600000000, 0.0000588700000000, -0.0005166500000000 ] - [ -0.0004642700000000, -0.0006964000000000, -0.0021472300000000 ] - [ -0.0003505100000000, 0.0000896800000000, -0.0002706700000000 ] - [ -0.0001565000000000, -0.0004008900000000, 0.0002784400000000 ] - [ 0.0001319100000000, -0.0003500900000000, -0.0002700400000000 ] - [ 0.0002095900000000, -0.0001278000000000, 0.0004369000000000 ] - [ -0.0000901700000000, -0.0001666200000000, -0.0005440300000000 ] - [ 0.0010596000000000, 0.0006390200000000, -0.0003728900000000 ] - [ -0.0004220400000000, 0.0001501900000000, 0.0000576600000000 ] - [ -0.0001856700000000, -0.0003904200000000, 0.0000607500000000 ] - [ 0.0001108100000000, -0.0004192500000000, -0.0001271500000000 ] - [ 0.0001724400000000, -0.0002445900000000, 0.0000347800000000 ] - [ -0.0003646800000000, -0.0001752600000000, -0.0000687700000000 ] - [ 0.0001128000000000, 0.0000710300000000, -0.0000213700000000 ] - [ 0.0008843800000000, -0.0007172500000000, 0.0012587700000000 ] - [ 0.0526370500000000, 0.0894310300000000, -0.0142794200000000 ] - [ -0.0007863000000000, 0.0004668200000000, 0.0006777900000000 ] - [ 0.0004242000000000, -0.0001460100000000, 0.0003729200000000 ] - [ -0.0006607400000000, -0.0004475000000000, 0.0001248400000000 ] - [ -0.0005099400000000, 0.0002660600000000, 0.0007843400000000 ] - [ 0.0001296400000000, -0.0004202500000000, 0.0001845600000000 ] - [ 0.0000730700000000, 0.0001413300000000, 0.0004694300000000 ] - [ 0.0004949000000000, -0.0001746200000000, -0.0003274000000000 ] - [ -0.0005285300000000, 0.0001655500000000, 0.0002156000000000 ] - [ 0.0023282400000000, -0.0012241100000000, -0.0015429200000000 ] - [ -0.0011477400000000, -0.0038045700000000, -0.0011542200000000 ] - [ -0.0009811900000000, -0.0036839400000000, -0.0009371800000000 ] - [ 0.0010474600000000, 0.0018727800000000, -0.0013466300000000 ] - [ -0.0003424600000000, 0.0000212700000000, -0.0001011200000000 ] - [ -0.0007707300000000, 0.0000909900000000, 0.0001881200000000 ] - [ -0.0007531500000000, -0.0000037400000000, -0.0000292800000000 ] - [ -0.0004556000000000, 0.0010543600000000, -0.0006749600000000 ] - [ -0.0001328900000000, -0.0001329500000000, 0.0001789500000000 ] - [ -0.0001211900000000, 0.0001993700000000, -0.0002244000000000 ] - [ -0.0007539000000000, 0.0000040000000000, -0.0000752600000000 ] - [ -0.0037041100000000, 0.0013999700000000, 0.0038246600000000 ] - [ -0.0001708200000000, 0.0000854800000000, 0.0002209100000000 ] - [ 0.0000927700000000, 0.0001216500000000, -0.0001950000000000 ] - [ 0.0000010800000000, -0.0291150000000000, 0.0014415800000000 ] - [ -0.0004525700000000, 0.0002554200000000, 0.0000796300000000 ] - [ -0.0004832200000000, -0.0000118800000000, -0.0001258600000000 ] - [ 0.0002566800000000, -0.0000545000000000, -0.0001623000000000 ] - [ 0.0004916700000000, -0.0018090700000000, -0.0002202000000000 ] - [ -0.0038702500000000, 0.0008621100000000, -0.0004782800000000 ] - [ 0.0000905600000000, 0.0002631800000000, -0.0001637100000000 ] - [ -0.0000134400000000, 0.0001222000000000, -0.0005541600000000 ] - [ -0.0002620600000000, 0.0001396400000000, 0.0003081800000000 ] - [ 0.0000844400000000, -0.0000223700000000, 0.0000192100000000 ] - [ -0.0004751700000000, 0.0000484700000000, -0.0005373000000000 ] - [ 0.0001906300000000, -0.0003398600000000, -0.0013021600000000 ] - [ 0.0002095600000000, -0.0006541200000000, -0.0001893900000000 ] - [ 0.0003240400000000, 0.0001813000000000, -0.0004466900000000 ] - [ 0.0001019600000000, -0.0002150100000000, 0.0000551200000000 ] - [ 0.0002485000000000, 0.0058425800000000, -0.0036459400000000 ] - [ -0.0001644800000000, 0.0000242500000000, -0.0000025000000000 ] - [ -0.0006336000000000, 0.0001186100000000, 0.0002237300000000 ] - [ 0.0003315800000000, -0.0000513700000000, 0.0000752700000000 ] - [ -0.0004318800000000, -0.0003726800000000, -0.0000819700000000 ] - [ 0.0009177800000000, 0.0007620300000000, 0.0004590700000000 ] - [ -0.0006573600000000, 0.0003013700000000, -0.0000630400000000 ] - [ -0.0014877500000000, 0.0004516300000000, 0.0012729000000000 ] - [ 0.0001642600000000, 0.0002452800000000, -0.0002485600000000 ] - [ -0.0004168200000000, -0.0002714600000000, -0.0003104000000000 ] - [ 0.0000279500000000, 0.0001435600000000, -0.0000492300000000 ] - [ 0.0106418900000000, 0.0057949900000000, -0.0122517100000000 ] - [ -0.0002144900000000, 0.0002024300000000, -0.0006047500000000 ] - [ 0.0000730200000000, 0.0002766500000000, -0.0002294700000000 ] - [ -0.0004445700000000, -0.0001387900000000, -0.0002611400000000 ] - [ -0.0000613200000000, 0.0001083800000000, -0.0003624500000000 ] - [ -0.0008929800000000, -0.0018009500000000, 0.0023735700000000 ] - [ -0.0000376400000000, -0.0003435700000000, 0.0007275600000000 ] - [ 0.0006241100000000, -0.0002447500000000, -0.0002964000000000 ] - [ 0.0000241800000000, -0.0000932100000000, -0.0004699000000000 ] - [ -0.0005234000000000, -0.0001602800000000, -0.0000326300000000 ]- atom: 54 displacement: [ -0.0057565208649526, 0.0000000000000000, 0.0081769473235044 ] forces: - [ 0.0037837400000000, -0.0008487500000000, 0.0042996800000000 ] - [ -0.0046814900000000, 0.0034923400000000, 0.0140825900000000 ] - [ 0.0006336800000000, 0.0002844600000000, -0.0001101500000000 ] - [ -0.0055208900000000, -0.0022130700000000, -0.0079258800000000 ] - [ -0.0012129400000000, -0.0003828900000000, -0.0015225800000000 ] - [ -0.0137750000000000, 0.0047864100000000, 0.0218494900000000 ] - [ 0.0033013700000000, 0.0003222200000000, 0.0009610600000000 ] - [ 0.0012747500000000, -0.0000461500000000, -0.0017336200000000 ] - [ 0.0015201700000000, 0.0006491800000000, 0.0012507500000000 ] - [ 0.0015827200000000, -0.0002883300000000, -0.0003935500000000 ] - [ 0.0084476400000000, -0.0039847700000000, 0.0005358700000000 ] - [ 0.0002038200000000, 0.0001183100000000, -0.0005916100000000 ] - [ -0.0001842500000000, 0.0000607700000000, -0.0026566700000000 ] - [ 0.0010150300000000, 0.0003533600000000, 0.0004170800000000 ] - [ 0.0032775500000000, 0.0026395100000000, 0.0069694200000000 ] - [ -0.0044235400000000, 0.0002873900000000, -0.0012067300000000 ] - [ 0.0008930700000000, 0.0000765900000000, -0.0011214600000000 ] - [ -0.0005083300000000, -0.0001269200000000, 0.0000032200000000 ] - [ 0.0001138200000000, -0.0001512700000000, 0.0000410900000000 ] - [ 0.0001036300000000, -0.0003222100000000, -0.0008258300000000 ] - [ 0.0058212700000000, 0.0013016200000000, -0.0020092600000000 ] - [ -0.1285138500000000, -0.0638345300000000, 0.1343189200000000 ] - [ 0.0023783400000000, 0.0000927900000000, -0.0012386700000000 ] - [ 0.0016665100000000, 0.0001457800000000, 0.0001171300000000 ] - [ -0.0018801800000000, 0.0001571100000000, -0.0011623400000000 ] - [ 0.0005336600000000, -0.0004514700000000, 0.0016828000000000 ] - [ -0.0018131100000000, -0.0000920400000000, -0.0071266900000000 ] - [ 0.0039574500000000, 0.0013560300000000, -0.0040458100000000 ] - [ -0.0052940200000000, 0.0036643400000000, 0.0025020100000000 ] - [ -0.0006059900000000, -0.0004925300000000, 0.0003053800000000 ] - [ 0.0007436400000000, -0.0008573000000000, 0.0012313900000000 ] - [ 0.0007925500000000, -0.0000934000000000, -0.0002977800000000 ] - [ -0.0008701500000000, -0.0001352900000000, 0.0018800000000000 ] - [ -0.0122600300000000, -0.0005820000000000, 0.0087838400000000 ] - [ 0.0012273400000000, -0.0000457300000000, -0.0029614400000000 ] - [ 0.0045874200000000, 0.0007209300000000, -0.0005348200000000 ] - [ 0.0002229300000000, -0.0001876200000000, -0.0005984100000000 ] - [ -0.0008246100000000, 0.0008225900000000, 0.0000512300000000 ] - [ 0.0008007000000000, 0.0001125600000000, -0.0017479000000000 ] - [ 0.0013887500000000, -0.0003130500000000, -0.0061179400000000 ] - [ 0.0000824800000000, 0.0001574300000000, -0.0005653000000000 ] - [ -0.0010590200000000, -0.0000601900000000, 0.0012763700000000 ] - [ 0.0004666700000000, -0.0002957600000000, -0.0000713200000000 ] - [ -0.0014261400000000, -0.0005063800000000, 0.0020497300000000 ] - [ 0.0006705000000000, -0.0003910100000000, -0.0002086700000000 ] - [ -0.0017970900000000, -0.0008458500000000, 0.0030154900000000 ] - [ -0.0015127000000000, 0.0002394000000000, 0.0010462600000000 ] - [ 0.0002491600000000, -0.0005220100000000, 0.0001163800000000 ] - [ -0.0005383500000000, -0.0006523600000000, 0.0008122100000000 ] - [ 0.0005945000000000, -0.0001440800000000, -0.0001722900000000 ] - [ -0.0011121000000000, -0.0000669000000000, 0.0010650500000000 ] - [ 0.0001671800000000, 0.0000430600000000, -0.0000235900000000 ] - [ -0.0023820300000000, 0.0011904700000000, -0.0020463900000000 ] - [ 0.1705600000000000, 0.0438903400000000, -0.1884538400000000 ] - [ -0.0006878000000000, 0.0001309800000000, -0.0004733000000000 ] - [ -0.0003880500000000, 0.0002938500000000, 0.0011277700000000 ] - [ -0.0053464700000000, 0.0004165700000000, -0.0017012600000000 ] - [ -0.0009801800000000, 0.0005185100000000, 0.0007186200000000 ] - [ -0.0007531300000000, -0.0006916100000000, 0.0002412100000000 ] - [ -0.0011075200000000, 0.0000171100000000, 0.0008718500000000 ] - [ 0.0014889100000000, 0.0003125700000000, 0.0011682500000000 ] - [ -0.0011024900000000, 0.0000483800000000, -0.0002132700000000 ] - [ 0.0040571600000000, -0.0004328700000000, -0.0020025400000000 ] - [ 0.0006809000000000, -0.0007188500000000, -0.0055174600000000 ] - [ 0.0064792000000000, 0.0034932500000000, -0.0004342700000000 ] - [ 0.0069356000000000, -0.0016161800000000, 0.0049188800000000 ] - [ 0.0001747600000000, 0.0001110500000000, 0.0003156200000000 ] - [ -0.0008795400000000, 0.0007463200000000, -0.0009891300000000 ] - [ -0.0005310200000000, -0.0000344200000000, -0.0000046600000000 ] - [ 0.0036534500000000, -0.0018430800000000, 0.0047016100000000 ] - [ -0.0009321700000000, -0.0001370000000000, 0.0013615200000000 ] - [ 0.0024196400000000, -0.0009328000000000, 0.0014271500000000 ] - [ -0.0008990700000000, 0.0000521700000000, 0.0000266200000000 ] - [ -0.0165163900000000, -0.0069859000000000, 0.0066220200000000 ] - [ -0.0010789900000000, 0.0004132100000000, 0.0005450800000000 ] - [ 0.0010023000000000, -0.0001091100000000, 0.0014281200000000 ] - [ 0.0079829800000000, 0.0009231400000000, -0.0057510600000000 ] - [ -0.0002667500000000, 0.0002141500000000, 0.0001561000000000 ] - [ 0.0000403800000000, 0.0001239900000000, 0.0001606200000000 ] - [ 0.0004576300000000, 0.0010671200000000, 0.0025375400000000 ] - [ 0.0009624100000000, 0.0083711900000000, 0.0053050300000000 ] - [ -0.0007395800000000, -0.0006378600000000, -0.0016004600000000 ] - [ -0.0002302800000000, 0.0002302000000000, -0.0002750300000000 ] - [ -0.0004242700000000, 0.0000258500000000, -0.0003377300000000 ] - [ -0.0016689400000000, 0.0010009600000000, -0.0001285400000000 ] - [ 0.0013185300000000, -0.0003751100000000, 0.0007437700000000 ] - [ -0.0015572600000000, 0.0000975600000000, -0.0011284900000000 ] - [ 0.0024093800000000, -0.0016218200000000, -0.0072577000000000 ] - [ 0.0020967000000000, -0.0005862300000000, -0.0009826300000000 ] - [ 0.0006608400000000, 0.0004707200000000, -0.0019259900000000 ] - [ 0.0001540000000000, -0.0003954300000000, 0.0011621200000000 ] - [ -0.0134234500000000, 0.0035186200000000, -0.0083816200000000 ] - [ -0.0005108100000000, -0.0000540800000000, 0.0004106600000000 ] - [ -0.0013492200000000, 0.0001679700000000, 0.0009731600000000 ] - [ -0.0001832900000000, -0.0001711200000000, 0.0002308300000000 ] - [ -0.0007035500000000, -0.0003162800000000, 0.0001702400000000 ] - [ 0.0007575800000000, 0.0000310100000000, 0.0026966000000000 ] - [ -0.0026712100000000, -0.0000828900000000, -0.0000802300000000 ] - [ -0.0044209400000000, -0.0005345700000000, 0.0024763400000000 ] - [ -0.0000662500000000, 0.0000930600000000, 0.0001111400000000 ] - [ 0.0006041700000000, -0.0003896400000000, -0.0000769900000000 ] - [ -0.0000510600000000, 0.0003329400000000, 0.0005075100000000 ] - [ -0.0090760800000000, 0.0082569000000000, 0.0160969900000000 ] - [ -0.0006720000000000, 0.0001672000000000, -0.0007355600000000 ] - [ 0.0016178700000000, 0.0001643400000000, -0.0015606800000000 ] - [ -0.0002874600000000, -0.0000942900000000, 0.0005498400000000 ] - [ -0.0005813800000000, 0.0000288200000000, -0.0004706100000000 ] - [ -0.0028596300000000, 0.0006709800000000, 0.0053492900000000 ] - [ -0.0017132600000000, -0.0011293800000000, 0.0036992900000000 ] - [ 0.0002742300000000, -0.0000953800000000, 0.0008130200000000 ] - [ -0.0001885700000000, 0.0000602500000000, -0.0002194200000000 ] - [ -0.0022467400000000, -0.0006162000000000, -0.0005696100000000 ]- atom: 54 displacement: [ 0.0057565208649526, 0.0000000000000000, -0.0081769473235044 ] forces: - [ -0.0037611100000000, 0.0017179100000000, -0.0043513200000000 ] - [ 0.0042310200000000, -0.0036157700000000, -0.0148107700000000 ] - [ -0.0008549100000000, 0.0003133300000000, -0.0011182900000000 ] - [ 0.0052198000000000, 0.0022703100000000, 0.0083300100000000 ] - [ 0.0012269000000000, -0.0000692100000000, 0.0015297200000000 ] - [ 0.0145700100000000, -0.0050282000000000, -0.0220773800000000 ] - [ -0.0027797800000000, -0.0004667600000000, -0.0002699000000000 ] - [ -0.0010478100000000, 0.0001145800000000, 0.0013063800000000 ] - [ -0.0015157900000000, 0.0002220900000000, -0.0012417400000000 ] - [ -0.0020965700000000, 0.0001444500000000, -0.0003070700000000 ] - [ -0.0086430300000000, 0.0045583500000000, -0.0017461800000000 ] - [ -0.0004264900000000, -0.0000489200000000, 0.0010213300000000 ] - [ 0.0001687700000000, -0.0005106500000000, 0.0026543500000000 ] - [ -0.0007787900000000, 0.0002450800000000, 0.0008114700000000 ] - [ -0.0027567400000000, -0.0027661400000000, -0.0062412800000000 ] - [ 0.0046796800000000, -0.0002105500000000, 0.0007598100000000 ] - [ -0.0004063100000000, -0.0004844900000000, 0.0012188600000000 ] - [ 0.0000182800000000, -0.0003514400000000, -0.0000954700000000 ] - [ 0.0003738500000000, -0.0002541800000000, 0.0000532600000000 ] - [ -0.0005919400000000, -0.0001558900000000, 0.0007309200000000 ] - [ -0.0060120300000000, -0.0024507900000000, 0.0027047700000000 ] - [ 0.1201668100000000, 0.0596137400000000, -0.1281227700000000 ] - [ -0.0016862500000000, 0.0001109400000000, 0.0022473000000000 ] - [ -0.0010407700000000, -0.0000968700000000, 0.0004502700000000 ] - [ 0.0007955500000000, 0.0009891300000000, 0.0012104900000000 ] - [ -0.0002964000000000, -0.0007196400000000, -0.0024313200000000 ] - [ 0.0024950700000000, -0.0003919900000000, 0.0071043600000000 ] - [ -0.0028915000000000, -0.0002089300000000, 0.0040056100000000 ] - [ 0.0046094900000000, -0.0034702200000000, -0.0034463400000000 ] - [ -0.0000463700000000, 0.0000186100000000, -0.0002422700000000 ] - [ -0.0009329000000000, -0.0003214800000000, -0.0004686200000000 ] - [ -0.0014090600000000, 0.0001414100000000, -0.0002728800000000 ] - [ 0.0015604500000000, 0.0003339100000000, -0.0008614300000000 ] - [ 0.0127728500000000, 0.0006898600000000, -0.0082806200000000 ] - [ -0.0022985900000000, 0.0011956000000000, 0.0030072700000000 ] - [ -0.0043803200000000, -0.0018926500000000, -0.0002137700000000 ] - [ 0.0004399300000000, -0.0002825900000000, 0.0005474400000000 ] - [ 0.0019053700000000, 0.0003229100000000, -0.0000852700000000 ] - [ -0.0014927600000000, 0.0000909400000000, 0.0007338800000000 ] - [ -0.0020548800000000, -0.0001481100000000, 0.0061485200000000 ] - [ -0.0003972100000000, -0.0000042300000000, 0.0004024300000000 ] - [ 0.0008078100000000, -0.0007281700000000, -0.0009620600000000 ] - [ -0.0002212400000000, -0.0004961400000000, -0.0002417900000000 ] - [ 0.0018305300000000, 0.0000694300000000, -0.0017385600000000 ] - [ -0.0010797100000000, -0.0000398800000000, -0.0001196100000000 ] - [ 0.0021199400000000, 0.0010098500000000, -0.0028679500000000 ] - [ 0.0012009900000000, -0.0000857700000000, -0.0012040900000000 ] - [ -0.0004964800000000, -0.0002732600000000, 0.0001898700000000 ] - [ 0.0007930800000000, -0.0001464100000000, -0.0011172000000000 ] - [ -0.0001823100000000, -0.0002869400000000, 0.0004936600000000 ] - [ 0.0007050100000000, -0.0003656300000000, -0.0013827800000000 ] - [ 0.0001407100000000, 0.0001075000000000, 0.0001836600000000 ] - [ 0.0029146300000000, -0.0006244600000000, 0.0020098900000000 ] - [ -0.1628587900000000, -0.0385915400000000, 0.1818180300000000 ] - [ 0.0006922900000000, 0.0003458300000000, 0.0014658700000000 ] - [ 0.0008855800000000, -0.0004357200000000, -0.0008009600000000 ] - [ 0.0052707300000000, -0.0004364700000000, 0.0011877200000000 ] - [ 0.0005410100000000, -0.0001189400000000, 0.0004893700000000 ] - [ 0.0011394700000000, -0.0001843600000000, -0.0002227200000000 ] - [ 0.0019133700000000, 0.0002308200000000, -0.0011504800000000 ] - [ -0.0009355400000000, -0.0007698000000000, -0.0009506200000000 ] - [ 0.0007211100000000, 0.0001860300000000, 0.0007573900000000 ] - [ -0.0039196600000000, 0.0006285500000000, 0.0020065700000000 ] - [ -0.0015363900000000, 0.0009284100000000, 0.0057698900000000 ] - [ -0.0056061000000000, -0.0035459200000000, 0.0005044100000000 ] - [ -0.0072646100000000, 0.0007369700000000, -0.0049686500000000 ] - [ -0.0001526400000000, 0.0001697500000000, -0.0001605500000000 ] - [ 0.0003495600000000, -0.0001737500000000, 0.0010846400000000 ] - [ 0.0001754700000000, -0.0000970200000000, 0.0007033600000000 ] - [ -0.0032910600000000, 0.0023119200000000, -0.0051652200000000 ] - [ 0.0003930400000000, -0.0003253300000000, -0.0015860100000000 ] - [ -0.0024684100000000, 0.0012268800000000, -0.0015894000000000 ] - [ -0.0000064900000000, -0.0000633700000000, -0.0000518100000000 ] - [ 0.0167387100000000, 0.0075235800000000, -0.0076621600000000 ] - [ 0.0009595300000000, -0.0002286000000000, -0.0005832700000000 ] - [ -0.0014830000000000, -0.0000292900000000, -0.0017511700000000 ] - [ -0.0075719000000000, -0.0007164300000000, 0.0053299600000000 ] - [ -0.0001411000000000, 0.0002425100000000, 0.0002644300000000 ] - [ -0.0007623600000000, -0.0003045900000000, 0.0000041000000000 ] - [ 0.0002534600000000, -0.0012526900000000, -0.0027151000000000 ] - [ -0.0006176800000000, -0.0086103200000000, -0.0060525400000000 ] - [ 0.0007816800000000, 0.0006342300000000, 0.0021288900000000 ] - [ 0.0007491400000000, 0.0003460100000000, 0.0001847300000000 ] - [ 0.0008577800000000, 0.0003726100000000, -0.0008659700000000 ] - [ 0.0016839400000000, -0.0005278800000000, 0.0011073600000000 ] - [ -0.0008321700000000, 0.0002389700000000, -0.0004218300000000 ] - [ 0.0014495000000000, -0.0001088000000000, 0.0005900100000000 ] - [ -0.0028209100000000, 0.0020147000000000, 0.0084218800000000 ] - [ -0.0016983900000000, -0.0002965200000000, 0.0010015400000000 ] - [ 0.0001485700000000, -0.0002229800000000, 0.0016285700000000 ] - [ 0.0003867900000000, -0.0000675900000000, -0.0009386100000000 ] - [ 0.0129062800000000, -0.0032413800000000, 0.0088190900000000 ] - [ 0.0006291100000000, 0.0002387000000000, -0.0003706100000000 ] - [ 0.0005400100000000, 0.0000785700000000, -0.0006845900000000 ] - [ 0.0010849500000000, 0.0001589200000000, -0.0002056200000000 ] - [ 0.0003166400000000, -0.0005599900000000, -0.0001876300000000 ] - [ -0.0007143200000000, 0.0002586500000000, -0.0025256100000000 ] - [ 0.0021433800000000, 0.0006573500000000, 0.0001647600000000 ] - [ 0.0040412100000000, 0.0004017000000000, -0.0017542800000000 ] - [ 0.0004708200000000, 0.0003635500000000, -0.0005353200000000 ] - [ -0.0011513300000000, -0.0000766300000000, -0.0001505200000000 ] - [ 0.0000242300000000, -0.0000503700000000, -0.0006659400000000 ] - [ 0.0079639600000000, -0.0080910700000000, -0.0157673300000000 ] - [ 0.0006532500000000, 0.0003045000000000, -0.0002516700000000 ] - [ -0.0017330900000000, 0.0000276800000000, 0.0015220200000000 ] - [ -0.0002082000000000, -0.0000462600000000, -0.0008782000000000 ] - [ 0.0009576600000000, 0.0002043800000000, -0.0000731500000000 ] - [ 0.0024545800000000, -0.0002079000000000, -0.0048993300000000 ] - [ 0.0010025500000000, 0.0009472200000000, -0.0035287600000000 ] - [ 0.0004512500000000, -0.0000888600000000, -0.0009866200000000 ] - [ 0.0005332800000000, -0.0001930100000000, -0.0004870600000000 ] - [ 0.0023417600000000, 0.0006007300000000, 0.0010978900000000 ]- atom: 55 displacement: [ 0.0099999987502926, 0.0000000000000000, -0.0000049994145799 ] forces: - [ 0.0109799100000000, -0.0022793200000000, -0.0034776800000000 ] - [ -0.0074436200000000, 0.0014944500000000, -0.0024002400000000 ] - [ 0.0197187700000000, -0.0125776600000000, 0.0054668600000000 ] - [ -0.0016734600000000, -0.0000407300000000, 0.0019293000000000 ] - [ -0.0007356800000000, -0.0002448500000000, -0.0017773800000000 ] - [ -0.0016872800000000, 0.0003961100000000, -0.0012490500000000 ] - [ 0.0099124200000000, -0.0027836100000000, 0.0048613500000000 ] - [ 0.0006614900000000, -0.0001126200000000, 0.0028023500000000 ] - [ -0.0013663800000000, 0.0004110200000000, 0.0000769800000000 ] - [ -0.0033033000000000, -0.0000372800000000, -0.0008812100000000 ] - [ -0.0017560100000000, 0.0004544500000000, -0.0003704600000000 ] - [ -0.0021162900000000, -0.0001510800000000, -0.0026678000000000 ] - [ -0.0003134800000000, -0.0000954900000000, 0.0013920700000000 ] - [ -0.0020514800000000, 0.0001105200000000, 0.0022497900000000 ] - [ -0.0015513200000000, -0.0001262000000000, -0.0001318500000000 ] - [ -0.0008831000000000, 0.0002157500000000, -0.0015535800000000 ] - [ 0.0003784000000000, -0.0000126500000000, -0.0002441700000000 ] - [ 0.0001166300000000, -0.0004492100000000, 0.0002020300000000 ] - [ 0.0002924400000000, -0.0003945700000000, 0.0003015200000000 ] - [ -0.0003847800000000, -0.0001246100000000, -0.0001779800000000 ] - [ 0.0007462200000000, -0.0011322700000000, -0.0033844600000000 ] - [ -0.0026065500000000, 0.0001073800000000, -0.0001835500000000 ] - [ 0.0039214400000000, 0.0002027900000000, 0.0004920700000000 ] - [ -0.0025251300000000, -0.0009815800000000, 0.0042069000000000 ] - [ -0.0017294500000000, 0.0011420200000000, 0.0026238200000000 ] - [ 0.0638566900000000, -0.0420200800000000, -0.0360434100000000 ] - [ -0.0007910400000000, -0.0007792100000000, -0.0022725800000000 ] - [ 0.0008327300000000, 0.0005872600000000, 0.0005626600000000 ] - [ -0.0018159800000000, -0.0003950500000000, 0.0031825500000000 ] - [ -0.0001016600000000, 0.0004080800000000, -0.0050483800000000 ] - [ -0.0015627900000000, -0.0003360100000000, 0.0007562700000000 ] - [ -0.0046695000000000, 0.0003551000000000, -0.0008342300000000 ] - [ -0.0004112400000000, -0.0000707000000000, 0.0002894900000000 ] - [ -0.0018559500000000, -0.0001430500000000, -0.0007432300000000 ] - [ -0.0010170700000000, 0.0002714300000000, -0.0014104300000000 ] - [ -0.0016852000000000, -0.0008468800000000, -0.0007372300000000 ] - [ 0.0003419300000000, -0.0000529400000000, 0.0023062700000000 ] - [ 0.0015366900000000, 0.0008563100000000, -0.0014448600000000 ] - [ -0.0018108900000000, 0.0005064800000000, -0.0012068600000000 ] - [ -0.0010829300000000, -0.0001634200000000, 0.0002581700000000 ] - [ -0.0034185500000000, 0.0005139000000000, -0.0013014200000000 ] - [ -0.0000866600000000, -0.0003727000000000, 0.0001975300000000 ] - [ 0.0000102200000000, -0.0003596500000000, -0.0005440100000000 ] - [ -0.0003896100000000, -0.0003414300000000, 0.0004278700000000 ] - [ 0.0006311000000000, 0.0000849100000000, -0.0023075800000000 ] - [ 0.0000870600000000, 0.0001968000000000, 0.0009607900000000 ] - [ 0.0002227600000000, 0.0000734900000000, -0.0000946600000000 ] - [ -0.0006318400000000, -0.0003607600000000, 0.0002662200000000 ] - [ 0.0002002400000000, -0.0004073300000000, 0.0001185400000000 ] - [ 0.0002438300000000, -0.0002143700000000, 0.0002514000000000 ] - [ 0.0000900600000000, -0.0003324100000000, 0.0001769900000000 ] - [ 0.0004345600000000, 0.0001366400000000, -0.0003607900000000 ] - [ 0.0024560200000000, 0.0038063200000000, 0.0036930000000000 ] - [ 0.0016128200000000, 0.0009976300000000, -0.0004623700000000 ] - [ -0.1274155500000000, 0.0746445700000000, 0.0356441500000000 ] - [ -0.0000623100000000, -0.0001351800000000, -0.0004839700000000 ] - [ -0.0017498300000000, -0.0024379200000000, 0.0053504200000000 ] - [ 0.0132757900000000, -0.0035306200000000, -0.0103704300000000 ] - [ -0.0013451400000000, -0.0011246700000000, -0.0015219000000000 ] - [ -0.0033186500000000, 0.0007822700000000, 0.0024195200000000 ] - [ 0.0004816300000000, -0.0000115000000000, -0.0011902500000000 ] - [ 0.0016289400000000, -0.0002468100000000, -0.0015263100000000 ] - [ 0.0012509400000000, 0.0001599800000000, -0.0012830100000000 ] - [ 0.0012516500000000, 0.0000412900000000, -0.0021699900000000 ] - [ 0.0014124300000000, -0.0003099200000000, 0.0008451900000000 ] - [ 0.0011731500000000, -0.0002325500000000, -0.0010293700000000 ] - [ 0.0006792900000000, 0.0002261000000000, 0.0013028200000000 ] - [ -0.0102978300000000, -0.0038129000000000, 0.0020930400000000 ] - [ -0.0045382000000000, -0.0012060500000000, 0.0080935700000000 ] - [ 0.0007090000000000, 0.0001079500000000, 0.0006805600000000 ] - [ -0.0006301700000000, -0.0002124900000000, -0.0009101700000000 ] - [ 0.0008529700000000, -0.0000548400000000, 0.0007831100000000 ] - [ 0.0040792700000000, -0.0005215000000000, 0.0009140200000000 ] - [ 0.0006167000000000, 0.0002371400000000, 0.0015364000000000 ] - [ -0.0006736400000000, 0.0023011400000000, -0.0030130700000000 ] - [ -0.0000581000000000, 0.0001288400000000, -0.0009311800000000 ] - [ 0.0026330400000000, -0.0003831400000000, 0.0016779600000000 ] - [ 0.0008300500000000, 0.0012831400000000, 0.0035589200000000 ] - [ -0.0004602500000000, -0.0006795900000000, 0.0019926500000000 ] - [ 0.0004977000000000, 0.0002095600000000, 0.0010707600000000 ] - [ 0.0012305200000000, 0.0005081700000000, 0.0014260800000000 ] - [ 0.0276723700000000, -0.0122901500000000, -0.0067818900000000 ] - [ 0.0010799600000000, 0.0001776400000000, -0.0003315500000000 ] - [ 0.0018637600000000, 0.0004728500000000, -0.0014953200000000 ] - [ 0.0008276500000000, -0.0000222900000000, 0.0004626800000000 ] - [ 0.0004148100000000, -0.0000787400000000, 0.0007972100000000 ] - [ 0.0011387200000000, -0.0000694500000000, 0.0000181900000000 ] - [ 0.0007380600000000, -0.0000075000000000, 0.0004646900000000 ] - [ 0.0008265500000000, -0.0003124200000000, 0.0003749800000000 ] - [ 0.0009944900000000, 0.0000447900000000, -0.0003990900000000 ] - [ 0.0008647600000000, -0.0002753300000000, 0.0010603000000000 ] - [ 0.0010667500000000, -0.0001052200000000, 0.0007229000000000 ] - [ 0.0010370200000000, 0.0003044100000000, 0.0005448500000000 ] - [ 0.0004565800000000, 0.0002248800000000, -0.0001419000000000 ] - [ 0.0008634200000000, 0.0017752900000000, -0.0022356700000000 ] - [ 0.0011838500000000, -0.0008387200000000, 0.0007648800000000 ] - [ 0.0005279000000000, 0.0004835300000000, -0.0002767100000000 ] - [ 0.0004545400000000, 0.0003482000000000, 0.0000747600000000 ] - [ 0.0006258800000000, -0.0000197500000000, 0.0004281400000000 ] - [ 0.0006158600000000, 0.0003439200000000, -0.0017223400000000 ] - [ -0.0001727400000000, -0.0001959900000000, 0.0005417300000000 ] - [ -0.0002984400000000, 0.0000942300000000, -0.0010718000000000 ] - [ 0.0006503500000000, -0.0001561700000000, -0.0002382900000000 ] - [ 0.0009547900000000, 0.0005155600000000, -0.0008543800000000 ] - [ 0.0004449500000000, -0.0000047900000000, 0.0002584500000000 ] - [ 0.0004516800000000, 0.0000028300000000, 0.0007545800000000 ] - [ 0.0026669900000000, 0.0005164600000000, -0.0001887200000000 ] - [ 0.0004196500000000, 0.0000517700000000, -0.0000575700000000 ] - [ -0.0000088700000000, -0.0001434200000000, -0.0005693100000000 ] - [ 0.0011465200000000, -0.0006997000000000, -0.0018715200000000 ] - [ 0.0010024400000000, -0.0005631600000000, -0.0014805300000000 ] - [ 0.0016100800000000, 0.0001068500000000, 0.0007473800000000 ]- atom: 55 displacement: [ -0.0099999987502926, 0.0000000000000000, 0.0000049994145799 ] forces: - [ -0.0114550800000000, 0.0028278300000000, 0.0031799500000000 ] - [ 0.0069402600000000, -0.0016493500000000, 0.0017081800000000 ] - [ -0.0194227400000000, 0.0124562500000000, -0.0063740900000000 ] - [ 0.0014345900000000, 0.0001079300000000, -0.0015143000000000 ] - [ 0.0007360700000000, -0.0002047300000000, 0.0017738400000000 ] - [ 0.0019176700000000, 0.0002011500000000, 0.0024796300000000 ] - [ -0.0093373500000000, 0.0027060400000000, -0.0042881900000000 ] - [ -0.0004207900000000, 0.0001775900000000, -0.0032193900000000 ] - [ 0.0013628100000000, 0.0004573400000000, -0.0000756200000000 ] - [ 0.0027719900000000, -0.0001061300000000, 0.0001754200000000 ] - [ 0.0015212600000000, 0.0001447000000000, -0.0008565800000000 ] - [ 0.0018751500000000, 0.0002203700000000, 0.0030808900000000 ] - [ 0.0003095800000000, -0.0003530400000000, -0.0013913500000000 ] - [ 0.0022784100000000, 0.0004887000000000, -0.0010165200000000 ] - [ 0.0020730300000000, -0.0000176600000000, 0.0008379700000000 ] - [ 0.0011176200000000, -0.0001476600000000, 0.0011310600000000 ] - [ 0.0001078300000000, -0.0003949100000000, 0.0003426300000000 ] - [ -0.0006048300000000, -0.0000258900000000, -0.0003000600000000 ] - [ 0.0001945300000000, -0.0000140800000000, -0.0002015600000000 ] - [ -0.0001057400000000, -0.0003515900000000, 0.0000745000000000 ] - [ -0.0009748700000000, -0.0000286700000000, 0.0041469900000000 ] - [ 0.0019855600000000, -0.0000582500000000, -0.0003898100000000 ] - [ -0.0032241700000000, 0.0000018200000000, 0.0005208900000000 ] - [ 0.0031744200000000, 0.0009982700000000, -0.0036563700000000 ] - [ 0.0006419300000000, 0.0000086300000000, -0.0025768700000000 ] - [ -0.0642660900000000, 0.0424272200000000, 0.0367531700000000 ] - [ 0.0014529000000000, 0.0003042500000000, 0.0022140000000000 ] - [ 0.0002366400000000, 0.0005583100000000, -0.0006010200000000 ] - [ 0.0011114900000000, 0.0006053100000000, -0.0042133800000000 ] - [ -0.0005502500000000, -0.0008925000000000, 0.0050954000000000 ] - [ 0.0013673100000000, -0.0008403700000000, 0.0000045400000000 ] - [ 0.0040247800000000, -0.0003073900000000, 0.0002624000000000 ] - [ 0.0011076900000000, 0.0002747000000000, 0.0007308200000000 ] - [ 0.0024820300000000, 0.0001923100000000, 0.0013178700000000 ] - [ -0.0000554500000000, 0.0008741200000000, 0.0014428000000000 ] - [ 0.0018747800000000, -0.0003302700000000, -0.0000215800000000 ] - [ 0.0003226500000000, -0.0004182900000000, -0.0023491500000000 ] - [ -0.0004577000000000, 0.0002899100000000, 0.0014070200000000 ] - [ 0.0011107700000000, -0.0003023600000000, 0.0001869200000000 ] - [ 0.0004155500000000, -0.0003094200000000, -0.0002075500000000 ] - [ 0.0031107000000000, -0.0003602600000000, 0.0011220800000000 ] - [ -0.0001610700000000, -0.0004148000000000, 0.0001191200000000 ] - [ 0.0002392900000000, -0.0004352900000000, 0.0002371000000000 ] - [ 0.0007909500000000, -0.0000975500000000, -0.0001154200000000 ] - [ -0.0010141800000000, -0.0005172700000000, 0.0019724100000000 ] - [ 0.0002284100000000, -0.0000383500000000, -0.0008134000000000 ] - [ -0.0005311700000000, 0.0000798000000000, -0.0000643900000000 ] - [ 0.0003810900000000, -0.0004313700000000, 0.0000406900000000 ] - [ 0.0000499600000000, -0.0003955700000000, -0.0004174500000000 ] - [ 0.0001596300000000, -0.0002223500000000, 0.0000613200000000 ] - [ -0.0005003300000000, -0.0000993200000000, -0.0004944200000000 ] - [ -0.0001234500000000, 0.0000189000000000, 0.0005098200000000 ] - [ -0.0019520900000000, -0.0032569500000000, -0.0038022800000000 ] - [ -0.0011793400000000, -0.0006018700000000, -0.0007432700000000 ] - [ 0.1283711600000000, -0.0748617700000000, -0.0359617800000000 ] - [ 0.0005526900000000, -0.0000056600000000, 0.0008080100000000 ] - [ 0.0016926400000000, 0.0024206100000000, -0.0058749800000000 ] - [ -0.0135248800000000, 0.0038808600000000, 0.0114414900000000 ] - [ 0.0017225000000000, 0.0002500800000000, 0.0015411000000000 ] - [ 0.0041247700000000, -0.0005370200000000, -0.0027019100000000 ] - [ 0.0000639400000000, -0.0004571600000000, 0.0014211300000000 ] - [ -0.0019978100000000, 0.0004809000000000, 0.0020449700000000 ] - [ -0.0011290600000000, 0.0000287800000000, 0.0013311000000000 ] - [ -0.0020524700000000, 0.0002098600000000, 0.0024623200000000 ] - [ -0.0005122700000000, 0.0003001800000000, -0.0008239200000000 ] - [ -0.0015592000000000, -0.0006491500000000, 0.0010229600000000 ] - [ -0.0006509200000000, 0.0000587100000000, -0.0011411000000000 ] - [ 0.0098286400000000, 0.0043139600000000, -0.0020241400000000 ] - [ 0.0041756500000000, 0.0010491600000000, -0.0073451400000000 ] - [ -0.0003068500000000, 0.0003474700000000, -0.0011027800000000 ] - [ 0.0000893900000000, -0.0002523000000000, 0.0006830700000000 ] - [ -0.0008830100000000, 0.0003383900000000, -0.0009411900000000 ] - [ -0.0049712300000000, 0.0005131100000000, -0.0009403400000000 ] - [ -0.0006233500000000, 0.0002303300000000, -0.0025209700000000 ] - [ 0.0005525700000000, -0.0021260700000000, 0.0029836900000000 ] - [ -0.0004264100000000, -0.0002669500000000, 0.0006071600000000 ] - [ -0.0022637600000000, 0.0006214000000000, -0.0022318200000000 ] - [ -0.0012260000000000, -0.0008188000000000, -0.0031122900000000 ] - [ -0.0002589300000000, 0.0004967600000000, -0.0018192800000000 ] - [ 0.0002184400000000, -0.0003893200000000, -0.0012365800000000 ] - [ -0.0008793600000000, -0.0006418600000000, -0.0021298700000000 ] - [ -0.0282739400000000, 0.0125599400000000, 0.0074404000000000 ] - [ -0.0005587600000000, 0.0003991200000000, 0.0002421600000000 ] - [ -0.0014229800000000, -0.0000724000000000, 0.0002882100000000 ] - [ -0.0008112900000000, 0.0004938800000000, 0.0005217100000000 ] - [ 0.0000730400000000, -0.0000609100000000, -0.0004726000000000 ] - [ -0.0012404100000000, 0.0000566300000000, -0.0005520600000000 ] - [ -0.0011760600000000, 0.0004069800000000, 0.0007391900000000 ] - [ -0.0004439100000000, -0.0005644400000000, -0.0003598700000000 ] - [ -0.0001876300000000, 0.0002029800000000, 0.0001068900000000 ] - [ -0.0003225900000000, -0.0001905600000000, -0.0008287800000000 ] - [ -0.0014461300000000, 0.0003380600000000, -0.0001806100000000 ] - [ -0.0009133500000000, -0.0001183500000000, -0.0005028100000000 ] - [ -0.0012614100000000, 0.0000232900000000, 0.0004316200000000 ] - [ 0.0000330100000000, -0.0017739400000000, 0.0022504300000000 ] - [ -0.0015649500000000, -0.0000384600000000, -0.0007788800000000 ] - [ -0.0004955600000000, -0.0001996300000000, 0.0004377000000000 ] - [ -0.0009746500000000, 0.0002290400000000, 0.0000129800000000 ] - [ -0.0009714400000000, -0.0001133100000000, 0.0002782500000000 ] - [ -0.0002127800000000, 0.0001098400000000, 0.0012928100000000 ] - [ -0.0003711600000000, -0.0002706200000000, -0.0007704200000000 ] - [ 0.0002657200000000, 0.0001902900000000, 0.0009094300000000 ] - [ -0.0015540600000000, 0.0001452600000000, 0.0002171700000000 ] - [ -0.0009694700000000, -0.0000432600000000, -0.0001321400000000 ] - [ -0.0005668400000000, 0.0001903200000000, -0.0002999700000000 ] - [ -0.0009410000000000, -0.0001432800000000, -0.0010767200000000 ] - [ -0.0022793600000000, -0.0002803300000000, -0.0003512800000000 ] - [ -0.0008213400000000, 0.0004036900000000, 0.0004803600000000 ] - [ -0.0007072600000000, -0.0000375600000000, 0.0007387800000000 ] - [ -0.0004243700000000, 0.0005152800000000, 0.0016986500000000 ] - [ -0.0006537600000000, 0.0004297900000000, 0.0007688600000000 ] - [ -0.0015048500000000, -0.0001197600000000, -0.0002137400000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0022298700000000, -0.0012219600000000, 0.0011555800000000 ] - [ 0.0024178300000000, -0.0010245800000000, 0.0015557000000000 ] - [ -0.0125108200000000, 0.0134432700000000, -0.0080223300000000 ] - [ 0.0008090700000000, 0.0000299900000000, 0.0000366600000000 ] - [ -0.0000778100000000, -0.0001847400000000, 0.0002485400000000 ] - [ -0.0003040200000000, 0.0004308300000000, 0.0010077900000000 ] - [ -0.0008886500000000, 0.0056375800000000, -0.0006641600000000 ] - [ -0.0002158200000000, 0.0003959100000000, -0.0010161900000000 ] - [ 0.0004234500000000, 0.0004592000000000, -0.0001325300000000 ] - [ 0.0010291500000000, -0.0000568400000000, -0.0004552900000000 ] - [ 0.0004086800000000, 0.0002326400000000, -0.0005752200000000 ] - [ 0.0003004600000000, 0.0001213200000000, 0.0019552200000000 ] - [ 0.0004727500000000, -0.0003065800000000, -0.0003854700000000 ] - [ 0.0007164600000000, 0.0003923900000000, -0.0001846700000000 ] - [ 0.0007031800000000, -0.0000390200000000, 0.0004839400000000 ] - [ 0.0001593400000000, 0.0000017900000000, 0.0000761200000000 ] - [ 0.0002749500000000, -0.0002143900000000, 0.0000699200000000 ] - [ -0.0010637200000000, 0.0003868300000000, 0.0001363300000000 ] - [ 0.0002006400000000, -0.0001405400000000, -0.0000579200000000 ] - [ -0.0001814200000000, -0.0002675700000000, -0.0000127900000000 ] - [ 0.0009859300000000, -0.0017637800000000, 0.0004450700000000 ] - [ 0.0003787800000000, 0.0000386500000000, 0.0000060400000000 ] - [ 0.0013547500000000, -0.0001226400000000, -0.0004679100000000 ] - [ 0.0014230400000000, -0.0007174700000000, -0.0023197000000000 ] - [ 0.0009642800000000, -0.0002249200000000, -0.0016611200000000 ] - [ -0.0463961300000000, 0.0827204600000000, 0.0586796300000000 ] - [ 0.0003908100000000, -0.0002342600000000, 0.0002080500000000 ] - [ 0.0008620000000000, 0.0006185000000000, -0.0002065500000000 ] - [ 0.0001657500000000, 0.0003444200000000, -0.0011666200000000 ] - [ -0.0019060900000000, 0.0028389300000000, -0.0008436200000000 ] - [ 0.0002307400000000, -0.0006654600000000, 0.0000866400000000 ] - [ -0.0007180200000000, -0.0015618600000000, -0.0014878000000000 ] - [ 0.0004642900000000, 0.0001341900000000, 0.0005007600000000 ] - [ 0.0007127300000000, 0.0000376200000000, 0.0006922800000000 ] - [ -0.0004011900000000, 0.0006132600000000, 0.0003682000000000 ] - [ 0.0007522700000000, -0.0004870500000000, -0.0002522600000000 ] - [ 0.0000783300000000, -0.0004166900000000, -0.0010682600000000 ] - [ 0.0002714800000000, 0.0005557000000000, 0.0002742500000000 ] - [ 0.0001034300000000, -0.0001524900000000, -0.0003487000000000 ] - [ 0.0001049900000000, -0.0002515600000000, 0.0001018800000000 ] - [ 0.0014298900000000, 0.0001366300000000, -0.0048413500000000 ] - [ -0.0002131300000000, -0.0003716200000000, 0.0001581200000000 ] - [ 0.0004495900000000, -0.0002746800000000, -0.0001626800000000 ] - [ 0.0001328500000000, -0.0002255700000000, 0.0002237000000000 ] - [ -0.0024697400000000, -0.0007469000000000, 0.0027811300000000 ] - [ 0.0001688900000000, 0.0001149500000000, 0.0000436600000000 ] - [ -0.0003111700000000, 0.0000674000000000, -0.0000678200000000 ] - [ 0.0001462000000000, -0.0005032100000000, 0.0000893900000000 ] - [ 0.0000668400000000, -0.0004010600000000, -0.0001985300000000 ] - [ 0.0002235600000000, -0.0002116900000000, 0.0001407300000000 ] - [ -0.0003158000000000, -0.0001677500000000, -0.0002691900000000 ] - [ 0.0001129500000000, 0.0000583200000000, 0.0002793000000000 ] - [ 0.0015862900000000, 0.0036397700000000, 0.0011901100000000 ] - [ -0.0000504400000000, -0.0000311300000000, -0.0009237400000000 ] - [ 0.0756736200000000, -0.1431234500000000, -0.0475755900000000 ] - [ 0.0001328000000000, 0.0000337600000000, 0.0003133100000000 ] - [ -0.0014759400000000, -0.0015562000000000, -0.0023591200000000 ] - [ -0.0059741500000000, -0.0009541200000000, 0.0054208100000000 ] - [ 0.0004052800000000, -0.0010749500000000, 0.0000810000000000 ] - [ 0.0003017100000000, 0.0014129500000000, 0.0013308400000000 ] - [ -0.0000529800000000, -0.0000545500000000, 0.0004230100000000 ] - [ 0.0016747200000000, 0.0025132400000000, 0.0020146900000000 ] - [ -0.0002781600000000, 0.0000760400000000, 0.0001493600000000 ] - [ -0.0004845300000000, 0.0009977400000000, -0.0009868100000000 ] - [ 0.0003558600000000, 0.0001451700000000, -0.0002590400000000 ] - [ -0.0008459600000000, -0.0005220300000000, 0.0001097600000000 ] - [ 0.0005356200000000, 0.0000211000000000, 0.0001910300000000 ] - [ -0.0026452400000000, 0.0392005400000000, -0.0015761100000000 ] - [ 0.0045727500000000, 0.0051610400000000, 0.0029366500000000 ] - [ 0.0002028200000000, 0.0002693800000000, -0.0003601200000000 ] - [ -0.0004434900000000, -0.0002830200000000, 0.0000029700000000 ] - [ -0.0000488300000000, 0.0001417300000000, -0.0001825200000000 ] - [ -0.0065921800000000, 0.0019135400000000, -0.0002138300000000 ] - [ -0.0000175400000000, -0.0000062600000000, -0.0011466100000000 ] - [ 0.0001768600000000, 0.0020054700000000, -0.0014197000000000 ] - [ -0.0006966600000000, -0.0002567700000000, 0.0001332400000000 ] - [ -0.0004131700000000, 0.0003365900000000, -0.0010631700000000 ] - [ -0.0004474900000000, -0.0018089200000000, -0.0018410400000000 ] - [ -0.0000572400000000, -0.0001417900000000, -0.0003080200000000 ] - [ 0.0004121000000000, -0.0001496500000000, -0.0003059700000000 ] - [ 0.0002451900000000, -0.0001173100000000, -0.0004373200000000 ] - [ -0.0071913200000000, -0.0059079000000000, -0.0014906400000000 ] - [ -0.0000004800000000, 0.0003362600000000, 0.0001550000000000 ] - [ -0.0001531100000000, 0.0002948000000000, 0.0000610000000000 ] - [ -0.0002482100000000, 0.0003215300000000, 0.0005021800000000 ] - [ 0.0002846800000000, -0.0000883400000000, 0.0000789100000000 ] - [ -0.0003355400000000, -0.0000173200000000, -0.0002868500000000 ] - [ -0.0004082000000000, 0.0002330700000000, 0.0005533100000000 ] - [ 0.0000925900000000, -0.0004499700000000, -0.0000672700000000 ] - [ 0.0002567400000000, 0.0001470900000000, -0.0000510900000000 ] - [ 0.0001396800000000, -0.0002562600000000, -0.0001995700000000 ] - [ -0.0005589000000000, 0.0002026600000000, 0.0000623500000000 ] - [ -0.0002345300000000, -0.0000210500000000, -0.0001569100000000 ] - [ -0.0007268700000000, 0.0001019300000000, 0.0003433200000000 ] - [ 0.0003820100000000, -0.0007673400000000, 0.0011376700000000 ] - [ -0.0009547100000000, -0.0000538400000000, -0.0003853900000000 ] - [ -0.0003344300000000, -0.0000272100000000, 0.0000881600000000 ] - [ -0.0004933100000000, 0.0002608500000000, 0.0000392800000000 ] - [ -0.0004718800000000, -0.0000328000000000, 0.0002253300000000 ] - [ 0.0002081600000000, 0.0001659400000000, 0.0003824500000000 ] - [ -0.0002382000000000, -0.0002461400000000, -0.0002377200000000 ] - [ 0.0001684400000000, 0.0001205000000000, 0.0002888600000000 ] - [ -0.0008330600000000, -0.0000324900000000, -0.0001242800000000 ] - [ -0.0002866700000000, 0.0001667000000000, -0.0002973800000000 ] - [ -0.0001306200000000, 0.0000976800000000, -0.0000866400000000 ] - [ -0.0003584900000000, -0.0000079800000000, -0.0004236700000000 ] - [ -0.0009761600000000, 0.0000499400000000, 0.0000546800000000 ] - [ -0.0004786500000000, 0.0002982800000000, 0.0002068300000000 ] - [ -0.0006639200000000, -0.0001101900000000, 0.0002379600000000 ] - [ -0.0004016900000000, 0.0004382500000000, 0.0008123600000000 ] - [ 0.0000187200000000, 0.0001791900000000, 0.0001831400000000 ] - [ -0.0005106300000000, -0.0000376500000000, 0.0001206100000000 ]- atom: 55 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0020805200000000, 0.0019360000000000, -0.0012682300000000 ] - [ -0.0029584000000000, 0.0008870700000000, -0.0022760200000000 ] - [ 0.0129587700000000, -0.0134923900000000, 0.0071626900000000 ] - [ -0.0010509700000000, 0.0000376600000000, 0.0003871600000000 ] - [ 0.0000778500000000, -0.0002646200000000, -0.0002552200000000 ] - [ 0.0005427800000000, 0.0001713800000000, 0.0002151700000000 ] - [ 0.0015083200000000, -0.0056971400000000, 0.0011587200000000 ] - [ 0.0004518400000000, -0.0003325300000000, 0.0005971400000000 ] - [ -0.0004278000000000, 0.0004086300000000, 0.0001355300000000 ] - [ -0.0015646400000000, -0.0000887800000000, -0.0002449300000000 ] - [ -0.0006486500000000, 0.0003669600000000, -0.0006490600000000 ] - [ -0.0005446000000000, -0.0000586800000000, -0.0015512400000000 ] - [ -0.0004775200000000, -0.0001427200000000, 0.0003876200000000 ] - [ -0.0004852600000000, 0.0002079200000000, 0.0014198900000000 ] - [ -0.0001850100000000, -0.0001046600000000, 0.0002209300000000 ] - [ 0.0000755100000000, 0.0000664100000000, -0.0005038800000000 ] - [ 0.0002091200000000, -0.0001915900000000, 0.0000268000000000 ] - [ 0.0005776000000000, -0.0008649600000000, -0.0002410700000000 ] - [ 0.0002902600000000, -0.0002661800000000, 0.0001554600000000 ] - [ -0.0003038000000000, -0.0002091500000000, -0.0000837800000000 ] - [ -0.0011963400000000, 0.0005898300000000, 0.0003164900000000 ] - [ -0.0010070200000000, 0.0000099000000000, -0.0005780300000000 ] - [ -0.0006725300000000, 0.0003303100000000, 0.0014975800000000 ] - [ -0.0008051500000000, 0.0007781700000000, 0.0029146500000000 ] - [ -0.0020477600000000, 0.0013765300000000, 0.0017074800000000 ] - [ 0.0441315700000000, -0.0811567400000000, -0.0564938300000000 ] - [ 0.0002720900000000, -0.0002398100000000, -0.0002702700000000 ] - [ 0.0002067800000000, 0.0005282900000000, 0.0001706900000000 ] - [ -0.0008593400000000, -0.0001444300000000, 0.0001407200000000 ] - [ 0.0012622300000000, -0.0033035300000000, 0.0008947500000000 ] - [ -0.0004257800000000, -0.0005117700000000, 0.0006742500000000 ] - [ 0.0000914300000000, 0.0016426000000000, 0.0009369000000000 ] - [ 0.0002312700000000, 0.0000695800000000, 0.0005168200000000 ] - [ -0.0000940500000000, 0.0000100100000000, -0.0001246300000000 ] - [ -0.0006723500000000, 0.0005330400000000, -0.0003358700000000 ] - [ -0.0005647600000000, -0.0006910600000000, -0.0005052900000000 ] - [ 0.0005882800000000, -0.0000536600000000, 0.0010191600000000 ] - [ 0.0008071200000000, 0.0005915000000000, -0.0003164600000000 ] - [ -0.0008054300000000, 0.0003596600000000, -0.0006698500000000 ] - [ -0.0007733900000000, -0.0002202000000000, -0.0000472500000000 ] - [ -0.0017478800000000, 0.0000261000000000, 0.0047023300000000 ] - [ -0.0000350100000000, -0.0004159000000000, 0.0001509900000000 ] - [ -0.0001988200000000, -0.0005254400000000, -0.0001388000000000 ] - [ 0.0002679500000000, -0.0002122500000000, 0.0000880500000000 ] - [ 0.0020761800000000, 0.0003191400000000, -0.0031137000000000 ] - [ 0.0001393300000000, 0.0000381300000000, 0.0001038300000000 ] - [ 0.0000085800000000, 0.0000816800000000, -0.0000854500000000 ] - [ -0.0003969200000000, -0.0002827200000000, 0.0002249200000000 ] - [ 0.0001841800000000, -0.0003951200000000, -0.0000995200000000 ] - [ 0.0001769300000000, -0.0002261700000000, 0.0001718100000000 ] - [ -0.0000883200000000, -0.0002653700000000, -0.0000457300000000 ] - [ 0.0001981000000000, 0.0000967400000000, -0.0001340100000000 ] - [ -0.0010674300000000, -0.0030713600000000, -0.0012764700000000 ] - [ 0.0004888200000000, 0.0004334300000000, -0.0002786900000000 ] - [ -0.0738154000000000, 0.1412245800000000, 0.0454134800000000 ] - [ 0.0003604100000000, -0.0001756800000000, 0.0000097600000000 ] - [ 0.0014120700000000, 0.0015287800000000, 0.0018617200000000 ] - [ 0.0055397200000000, 0.0014022300000000, -0.0042195700000000 ] - [ -0.0000210300000000, 0.0001984900000000, -0.0000667700000000 ] - [ 0.0005086500000000, -0.0011792200000000, -0.0016481800000000 ] - [ 0.0005966000000000, -0.0004128400000000, -0.0001944900000000 ] - [ -0.0020546200000000, -0.0022957000000000, -0.0014902600000000 ] - [ 0.0003982500000000, 0.0001065700000000, -0.0001086700000000 ] - [ -0.0003383000000000, -0.0007562600000000, 0.0012907500000000 ] - [ 0.0005479700000000, -0.0001572500000000, 0.0002836400000000 ] - [ 0.0004642200000000, -0.0003504400000000, -0.0001260400000000 ] - [ -0.0005049100000000, 0.0002620800000000, -0.0000226600000000 ] - [ 0.0019359700000000, -0.0382241100000000, 0.0017480100000000 ] - [ -0.0049225700000000, -0.0053048900000000, -0.0021868400000000 ] - [ 0.0002004500000000, 0.0001846300000000, -0.0000608700000000 ] - [ -0.0000943400000000, -0.0001824200000000, -0.0002321300000000 ] - [ 0.0000214900000000, 0.0001429200000000, 0.0000260400000000 ] - [ 0.0057878600000000, -0.0019557600000000, 0.0001896400000000 ] - [ -0.0000101800000000, 0.0004964000000000, 0.0001534600000000 ] - [ -0.0002995600000000, -0.0018396400000000, 0.0014014100000000 ] - [ 0.0002097100000000, 0.0001176100000000, -0.0004588000000000 ] - [ 0.0007982100000000, -0.0001073100000000, 0.0005283500000000 ] - [ 0.0000442900000000, 0.0022873000000000, 0.0022806700000000 ] - [ -0.0006638200000000, -0.0000405800000000, 0.0004812000000000 ] - [ 0.0003055500000000, -0.0000307600000000, 0.0001436900000000 ] - [ 0.0001060800000000, -0.0000113300000000, -0.0002661300000000 ] - [ 0.0073714000000000, 0.0058076900000000, 0.0020088100000000 ] - [ 0.0005212900000000, 0.0002414500000000, -0.0002452200000000 ] - [ 0.0005971800000000, 0.0001034300000000, -0.0012776200000000 ] - [ 0.0002677200000000, 0.0001486700000000, 0.0004817500000000 ] - [ 0.0002058300000000, -0.0000517000000000, 0.0002466400000000 ] - [ 0.0002359800000000, 0.0000039700000000, -0.0002462000000000 ] - [ -0.0000269600000000, 0.0001660200000000, 0.0006510700000000 ] - [ 0.0002928900000000, -0.0004258400000000, 0.0000839100000000 ] - [ 0.0005507400000000, 0.0001001300000000, -0.0002394100000000 ] - [ 0.0004023200000000, -0.0002087400000000, 0.0004325600000000 ] - [ 0.0001826200000000, 0.0000294700000000, 0.0004810700000000 ] - [ 0.0003576100000000, 0.0002069000000000, 0.0001981900000000 ] - [ -0.0000756700000000, 0.0001456100000000, -0.0000574100000000 ] - [ 0.0005212600000000, 0.0007594500000000, -0.0011239000000000 ] - [ 0.0005794300000000, -0.0008260100000000, 0.0003734800000000 ] - [ 0.0003656900000000, 0.0003129800000000, 0.0000714300000000 ] - [ -0.0000237200000000, 0.0003178100000000, 0.0000482800000000 ] - [ 0.0001283100000000, -0.0000969700000000, 0.0004832100000000 ] - [ 0.0001938600000000, 0.0002905600000000, -0.0008085300000000 ] - [ -0.0003035400000000, -0.0002197300000000, 0.0000111500000000 ] - [ -0.0001979900000000, 0.0001636900000000, -0.0004498800000000 ] - [ -0.0000664900000000, 0.0000223800000000, 0.0001024500000000 ] - [ 0.0002719400000000, 0.0003051500000000, -0.0006901400000000 ] - [ 0.0000117300000000, 0.0000869000000000, 0.0000466400000000 ] - [ -0.0001307600000000, -0.0001328700000000, 0.0001032400000000 ] - [ 0.0013612800000000, 0.0001809600000000, -0.0006045700000000 ] - [ 0.0000779800000000, 0.0001553500000000, 0.0002155400000000 ] - [ -0.0000518800000000, -0.0000707200000000, -0.0000727700000000 ] - [ 0.0011252800000000, -0.0006225300000000, -0.0009840600000000 ] - [ 0.0003260300000000, -0.0003125100000000, -0.0008938400000000 ] - [ 0.0006174100000000, 0.0000239300000000, 0.0004125000000000 ]- atom: 55 displacement: [ -0.0057565208649526, 0.0000000000000000, 0.0081769473235044 ] forces: - [ -0.0105299700000000, -0.0029426500000000, 0.0093174300000000 ] - [ 0.0053443600000000, -0.0013233200000000, 0.0039311500000000 ] - [ -0.0058417900000000, -0.0031224400000000, 0.0091940000000000 ] - [ 0.0023837200000000, 0.0000682800000000, -0.0008525400000000 ] - [ -0.0011530300000000, -0.0001779600000000, -0.0000115500000000 ] - [ -0.0008983500000000, 0.0003792200000000, 0.0020828200000000 ] - [ -0.0011220700000000, 0.0064895000000000, -0.0021611900000000 ] - [ 0.0021599800000000, -0.0002318500000000, -0.0043976800000000 ] - [ 0.0009025400000000, 0.0004095900000000, -0.0002564900000000 ] - [ 0.0020006500000000, -0.0003443400000000, 0.0006306900000000 ] - [ 0.0009950800000000, 0.0001499500000000, -0.0008294600000000 ] - [ -0.0010359900000000, -0.0000143700000000, 0.0022199600000000 ] - [ 0.0019212700000000, -0.0002849400000000, -0.0018027600000000 ] - [ 0.0028207800000000, 0.0008561900000000, -0.0006896200000000 ] - [ 0.0011520400000000, 0.0000545000000000, 0.0002895300000000 ] - [ -0.0005493600000000, 0.0000423700000000, -0.0001482000000000 ] - [ 0.0000585000000000, -0.0003644700000000, -0.0001379200000000 ] - [ -0.0000673000000000, -0.0005268100000000, -0.0009988400000000 ] - [ 0.0002067700000000, -0.0000881400000000, -0.0005819300000000 ] - [ -0.0002506100000000, -0.0003266100000000, -0.0001698000000000 ] - [ -0.0061240400000000, 0.0008098800000000, 0.0022444100000000 ] - [ 0.0013440000000000, 0.0000591000000000, 0.0002973400000000 ] - [ -0.0024421700000000, 0.0007360300000000, -0.0022733000000000 ] - [ 0.0049202400000000, 0.0003807000000000, -0.0024537100000000 ] - [ 0.0036142300000000, -0.0005117000000000, -0.0036871200000000 ] - [ -0.0749502700000000, 0.0790873300000000, 0.0921864000000000 ] - [ -0.0005734800000000, -0.0004518900000000, -0.0002839000000000 ] - [ 0.0012996700000000, 0.0006665900000000, -0.0018715600000000 ] - [ 0.0023034900000000, 0.0003501100000000, -0.0018292200000000 ] - [ -0.0043514900000000, 0.0003373700000000, 0.0000437800000000 ] - [ 0.0013526100000000, -0.0009378600000000, -0.0004072100000000 ] - [ 0.0022129700000000, 0.0007653300000000, 0.0028961800000000 ] - [ 0.0004842900000000, 0.0000844000000000, -0.0001549200000000 ] - [ 0.0009026900000000, 0.0000459700000000, 0.0011886300000000 ] - [ -0.0010980700000000, 0.0004843900000000, 0.0002923900000000 ] - [ 0.0011555100000000, -0.0003747600000000, -0.0003368400000000 ] - [ 0.0013896600000000, -0.0005675500000000, -0.0028040300000000 ] - [ -0.0007036300000000, 0.0007676100000000, -0.0006750500000000 ] - [ 0.0001269700000000, -0.0001295000000000, -0.0000782400000000 ] - [ 0.0003952400000000, -0.0001017500000000, -0.0005812000000000 ] - [ 0.0015106700000000, -0.0009974600000000, 0.0070883200000000 ] - [ -0.0001264200000000, -0.0003160100000000, 0.0004185200000000 ] - [ -0.0003530400000000, -0.0006918000000000, 0.0007427800000000 ] - [ 0.0003752200000000, -0.0001083900000000, 0.0010101700000000 ] - [ -0.0034436600000000, -0.0005316100000000, 0.0038595400000000 ] - [ 0.0006792800000000, 0.0000462800000000, -0.0000575400000000 ] - [ -0.0003955900000000, 0.0000665200000000, 0.0000789600000000 ] - [ 0.0001966900000000, -0.0003526100000000, 0.0006238700000000 ] - [ 0.0002820000000000, -0.0003460800000000, -0.0001034500000000 ] - [ 0.0001116000000000, -0.0001708600000000, 0.0006735300000000 ] - [ -0.0002343900000000, -0.0002009800000000, -0.0002841600000000 ] - [ -0.0003081300000000, 0.0000446600000000, 0.0008221700000000 ] - [ 0.0010692300000000, -0.0000361100000000, -0.0020894100000000 ] - [ -0.0003432400000000, -0.0004132200000000, -0.0014853100000000 ] - [ 0.1041488200000000, -0.0832813100000000, -0.1086411100000000 ] - [ -0.0000546900000000, 0.0003278000000000, 0.0010838700000000 ] - [ 0.0104828000000000, -0.0017890200000000, 0.0044392300000000 ] - [ -0.0164692700000000, 0.0058323400000000, 0.0079146600000000 ] - [ 0.0002185900000000, 0.0000434600000000, 0.0020309200000000 ] - [ 0.0031544300000000, 0.0001597600000000, -0.0003622900000000 ] - [ -0.0009206700000000, -0.0000261100000000, 0.0011257100000000 ] - [ -0.0028315200000000, -0.0012074200000000, -0.0025099100000000 ] - [ -0.0012144700000000, -0.0002394400000000, 0.0003186000000000 ] - [ -0.0013975100000000, 0.0008655900000000, -0.0011787700000000 ] - [ 0.0004975600000000, 0.0002749300000000, -0.0004792300000000 ] - [ -0.0017929900000000, -0.0002884900000000, 0.0000338100000000 ] - [ 0.0016717800000000, 0.0007256100000000, -0.0000116000000000 ] - [ 0.0091677500000000, 0.0015177500000000, -0.0131325900000000 ] - [ 0.0047553100000000, 0.0023012800000000, -0.0018792700000000 ] - [ 0.0005832900000000, 0.0004633800000000, -0.0004692400000000 ] - [ -0.0004314900000000, -0.0000681500000000, 0.0016301300000000 ] - [ 0.0005797400000000, -0.0000635700000000, 0.0000280300000000 ] - [ -0.0014987800000000, -0.0006715300000000, -0.0015834900000000 ] - [ 0.0012949200000000, 0.0007612600000000, -0.0029476900000000 ] - [ -0.0013200900000000, -0.0041511500000000, 0.0066911700000000 ] - [ -0.0016262700000000, -0.0007162000000000, 0.0004776700000000 ] - [ -0.0010489100000000, 0.0006736200000000, -0.0020442900000000 ] - [ 0.0009616500000000, -0.0009214700000000, -0.0018655400000000 ] - [ 0.0003817200000000, -0.0001582600000000, -0.0001718900000000 ] - [ 0.0008481400000000, -0.0001572400000000, -0.0002713400000000 ] - [ 0.0016134900000000, -0.0003320800000000, -0.0002550600000000 ] - [ -0.0181403500000000, 0.0037089200000000, -0.0041978800000000 ] - [ -0.0005494200000000, 0.0004862100000000, 0.0003385400000000 ] - [ -0.0007935400000000, 0.0001946100000000, -0.0007469800000000 ] - [ -0.0004874700000000, 0.0003922400000000, 0.0006046600000000 ] - [ 0.0008805700000000, -0.0003125100000000, 0.0003921100000000 ] - [ -0.0008887500000000, 0.0000561700000000, -0.0003219600000000 ] - [ -0.0005857800000000, 0.0002266000000000, 0.0005704000000000 ] - [ 0.0001500400000000, -0.0004007700000000, 0.0000623600000000 ] - [ 0.0000137400000000, 0.0001456600000000, 0.0003384600000000 ] - [ 0.0005452700000000, -0.0002890300000000, -0.0002020400000000 ] - [ -0.0009609900000000, 0.0003332300000000, -0.0000976200000000 ] - [ -0.0000959000000000, 0.0001839600000000, -0.0006424600000000 ] - [ -0.0008546100000000, 0.0000132900000000, 0.0001888500000000 ] - [ -0.0009445100000000, -0.0014636700000000, 0.0016870800000000 ] - [ -0.0006978700000000, -0.0003639300000000, -0.0006965500000000 ] - [ -0.0007427500000000, -0.0003026900000000, 0.0004169800000000 ] - [ -0.0006942100000000, 0.0002145300000000, 0.0001534400000000 ] - [ -0.0007119300000000, -0.0001452300000000, 0.0004366500000000 ] - [ -0.0009645000000000, -0.0001366700000000, 0.0013876400000000 ] - [ 0.0002725200000000, -0.0001033100000000, 0.0001736000000000 ] - [ -0.0006766700000000, 0.0006904000000000, 0.0010547000000000 ] - [ -0.0014314300000000, -0.0000453800000000, -0.0001414200000000 ] - [ -0.0008575500000000, -0.0000860500000000, -0.0000983900000000 ] - [ -0.0000854500000000, 0.0000427300000000, 0.0000638300000000 ] - [ 0.0001404500000000, 0.0002089300000000, -0.0002901800000000 ] - [ -0.0032635500000000, -0.0006756400000000, -0.0011488900000000 ] - [ -0.0008455400000000, 0.0004811000000000, 0.0005076800000000 ] - [ -0.0014929700000000, -0.0003932100000000, 0.0013621800000000 ] - [ -0.0018430600000000, 0.0009080400000000, 0.0024495600000000 ] - [ -0.0009644300000000, 0.0003979200000000, 0.0007640800000000 ] - [ -0.0009586000000000, -0.0000356100000000, 0.0000227300000000 ]- atom: 55 displacement: [ 0.0057565208649526, 0.0000000000000000, -0.0081769473235044 ] forces: - [ 0.0105084600000000, 0.0037706400000000, -0.0094055300000000 ] - [ -0.0058570000000000, 0.0011746500000000, -0.0046253900000000 ] - [ 0.0056161000000000, 0.0037764300000000, -0.0104515200000000 ] - [ -0.0026187400000000, -0.0000004000000000, 0.0012776700000000 ] - [ 0.0011568600000000, -0.0002724100000000, 0.0000178500000000 ] - [ 0.0011254200000000, 0.0002219000000000, -0.0008581500000000 ] - [ 0.0018417300000000, -0.0063197600000000, 0.0022940400000000 ] - [ -0.0019420700000000, 0.0003056100000000, 0.0039897400000000 ] - [ -0.0009026600000000, 0.0004585800000000, 0.0002550500000000 ] - [ -0.0025193800000000, 0.0002041100000000, -0.0013441900000000 ] - [ -0.0012287700000000, 0.0004489700000000, -0.0003939200000000 ] - [ 0.0008158000000000, 0.0000834300000000, -0.0017848200000000 ] - [ -0.0019254900000000, -0.0001648700000000, 0.0018082900000000 ] - [ -0.0025939500000000, -0.0002606800000000, 0.0019099200000000 ] - [ -0.0006303300000000, -0.0001983000000000, 0.0004164200000000 ] - [ 0.0007835900000000, 0.0000255700000000, -0.0002729000000000 ] - [ 0.0004359000000000, -0.0000390900000000, 0.0002372800000000 ] - [ -0.0004151900000000, 0.0000438600000000, 0.0008897100000000 ] - [ 0.0002843600000000, -0.0003172200000000, 0.0006796700000000 ] - [ -0.0002397200000000, -0.0001482800000000, 0.0000725700000000 ] - [ 0.0059441500000000, -0.0019929200000000, -0.0015075100000000 ] - [ -0.0019654900000000, -0.0000105300000000, -0.0008649100000000 ] - [ 0.0031631500000000, -0.0005447700000000, 0.0032998500000000 ] - [ -0.0042745900000000, -0.0003588000000000, 0.0029777400000000 ] - [ -0.0046906700000000, 0.0016574400000000, 0.0037225700000000 ] - [ 0.0723023600000000, -0.0757128500000000, -0.0897647000000000 ] - [ 0.0012407300000000, -0.0000234300000000, 0.0002283200000000 ] - [ -0.0002260500000000, 0.0004802400000000, 0.0018447700000000 ] - [ -0.0029951200000000, -0.0001479400000000, 0.0008073100000000 ] - [ 0.0036863500000000, -0.0008223800000000, 0.0000503900000000 ] - [ -0.0015487800000000, -0.0002381600000000, 0.0011632800000000 ] - [ -0.0028238700000000, -0.0007388200000000, -0.0034936100000000 ] - [ 0.0002109800000000, 0.0001196100000000, 0.0011739100000000 ] - [ -0.0002798700000000, 0.0000004600000000, -0.0006161400000000 ] - [ 0.0000324900000000, 0.0006637400000000, -0.0002558700000000 ] - [ -0.0009612300000000, -0.0008024700000000, -0.0004198600000000 ] - [ -0.0007324700000000, 0.0000936900000000, 0.0027515500000000 ] - [ 0.0017670000000000, 0.0003766000000000, 0.0006479100000000 ] - [ -0.0008191700000000, 0.0003310300000000, -0.0009391800000000 ] - [ -0.0010570900000000, -0.0003729500000000, 0.0006402500000000 ] - [ -0.0017969100000000, 0.0010825500000000, -0.0071103600000000 ] - [ -0.0001116700000000, -0.0004723800000000, -0.0001057700000000 ] - [ 0.0005860900000000, -0.0001071800000000, -0.0010433200000000 ] - [ 0.0000296900000000, -0.0003270700000000, -0.0006940900000000 ] - [ 0.0030305600000000, 0.0001043200000000, -0.0041891200000000 ] - [ -0.0003731000000000, 0.0001084400000000, 0.0002161600000000 ] - [ 0.0000908400000000, 0.0000827900000000, -0.0002432900000000 ] - [ -0.0004254300000000, -0.0004356100000000, -0.0003123200000000 ] - [ -0.0000461000000000, -0.0004553300000000, -0.0001969900000000 ] - [ 0.0003020100000000, -0.0002596800000000, -0.0003540500000000 ] - [ -0.0001825900000000, -0.0002268200000000, -0.0000383700000000 ] - [ 0.0006137800000000, 0.0001043300000000, -0.0006627900000000 ] - [ -0.0005281400000000, 0.0006620100000000, 0.0020291300000000 ] - [ 0.0007807800000000, 0.0008115000000000, 0.0002768300000000 ] - [ -0.1015618500000000, 0.0788211700000000, 0.1073164000000000 ] - [ 0.0005471900000000, -0.0004695600000000, -0.0007633300000000 ] - [ -0.0106359100000000, 0.0017682800000000, -0.0049412900000000 ] - [ 0.0162527600000000, -0.0054979900000000, -0.0067480700000000 ] - [ 0.0001704200000000, -0.0009200500000000, -0.0020208700000000 ] - [ -0.0023801800000000, 0.0000884900000000, 0.0000769300000000 ] - [ 0.0014617600000000, -0.0004392400000000, -0.0008969900000000 ] - [ 0.0024672100000000, 0.0014638700000000, 0.0031019800000000 ] - [ 0.0013336100000000, 0.0004239100000000, -0.0002765400000000 ] - [ 0.0005901300000000, -0.0006063900000000, 0.0014503200000000 ] - [ 0.0004048600000000, -0.0002830900000000, 0.0004995200000000 ] - [ 0.0014062200000000, -0.0005866800000000, -0.0000477200000000 ] - [ -0.0016447600000000, -0.0004416000000000, 0.0001650000000000 ] - [ -0.0095792100000000, -0.0009220200000000, 0.0131007100000000 ] - [ -0.0050926100000000, -0.0024347500000000, 0.0025271800000000 ] - [ -0.0001816500000000, -0.0000102000000000, 0.0000473800000000 ] - [ -0.0001101200000000, -0.0003992600000000, -0.0018680900000000 ] - [ -0.0006124100000000, 0.0003488400000000, -0.0001885500000000 ] - [ 0.0005361200000000, 0.0006858500000000, 0.0015625400000000 ] - [ -0.0013067500000000, -0.0002979400000000, 0.0019707100000000 ] - [ 0.0012257700000000, 0.0043896600000000, -0.0068119600000000 ] - [ 0.0011343800000000, 0.0005757500000000, -0.0008020600000000 ] - [ 0.0014288300000000, -0.0004386200000000, 0.0014965800000000 ] - [ -0.0013747900000000, 0.0013702500000000, 0.0022671000000000 ] - [ -0.0010961200000000, -0.0000181700000000, 0.0003270900000000 ] - [ -0.0001349900000000, -0.0000230800000000, 0.0001043600000000 ] - [ -0.0012688500000000, 0.0002026500000000, -0.0004469100000000 ] - [ 0.0179832500000000, -0.0036278400000000, 0.0046481800000000 ] - [ 0.0010694200000000, 0.0000926800000000, -0.0004230100000000 ] - [ 0.0012260700000000, 0.0002041400000000, -0.0004462600000000 ] - [ 0.0005046100000000, 0.0000776800000000, 0.0003777800000000 ] - [ -0.0003864300000000, 0.0001712500000000, -0.0000703200000000 ] - [ 0.0007892400000000, -0.0000712800000000, -0.0002087500000000 ] - [ 0.0001472300000000, 0.0001731700000000, 0.0006339600000000 ] - [ 0.0002358700000000, -0.0004735200000000, -0.0000465000000000 ] - [ 0.0007929300000000, 0.0001014900000000, -0.0006262200000000 ] - [ -0.0000098800000000, -0.0001761200000000, 0.0004289600000000 ] - [ 0.0005787500000000, -0.0000997600000000, 0.0006386300000000 ] - [ 0.0002100000000000, -0.0000025500000000, 0.0006851400000000 ] - [ 0.0000456400000000, 0.0002340200000000, 0.0001019100000000 ] - [ 0.0018495900000000, 0.0014565100000000, -0.0016592000000000 ] - [ 0.0003044300000000, -0.0005068800000000, 0.0006800000000000 ] - [ 0.0007724000000000, 0.0005873900000000, -0.0002584700000000 ] - [ 0.0001745000000000, 0.0003645000000000, -0.0000672300000000 ] - [ 0.0003653500000000, 0.0000160700000000, 0.0002666400000000 ] - [ 0.0013729900000000, 0.0005891200000000, -0.0018115400000000 ] - [ -0.0008107700000000, -0.0003623400000000, -0.0004050100000000 ] - [ 0.0006508300000000, -0.0004081700000000, -0.0012166800000000 ] - [ 0.0005271300000000, 0.0000349000000000, 0.0001190600000000 ] - [ 0.0008395700000000, 0.0005560300000000, -0.0008821100000000 ] - [ -0.0000327300000000, 0.0001403800000000, -0.0001053100000000 ] - [ -0.0006383400000000, -0.0003506300000000, -0.0000375300000000 ] - [ 0.0036647200000000, 0.0009160900000000, 0.0006198100000000 ] - [ 0.0004426700000000, -0.0000279100000000, -0.0000874600000000 ] - [ 0.0007796400000000, 0.0002137700000000, -0.0012009500000000 ] - [ 0.0025620700000000, -0.0010889500000000, -0.0026189200000000 ] - [ 0.0013149000000000, -0.0005261700000000, -0.0014686000000000 ] - [ 0.0010577000000000, 0.0000214700000000, 0.0005090600000000 ]- atom: 56 displacement: [ 0.0099999987502926, 0.0000000000000000, -0.0000049994145799 ] forces: - [ 0.0006119400000000, 0.0002451100000000, 0.0021099100000000 ] - [ 0.0000489600000000, 0.0000932400000000, 0.0017951800000000 ] - [ -0.0000694700000000, 0.0004796000000000, -0.0007722400000000 ] - [ 0.0045532100000000, -0.0012797100000000, 0.0031083600000000 ] - [ -0.0022054700000000, -0.0002649400000000, -0.0002332800000000 ] - [ -0.0010875100000000, 0.0001922700000000, 0.0021344500000000 ] - [ 0.0027428500000000, -0.0001624300000000, 0.0013752500000000 ] - [ 0.0104760500000000, 0.0002725000000000, -0.0001689100000000 ] - [ -0.0009479400000000, 0.0005378000000000, -0.0018662700000000 ] - [ -0.0013973000000000, -0.0000393800000000, -0.0026023600000000 ] - [ 0.0006357000000000, 0.0001110400000000, -0.0016072000000000 ] - [ -0.0018037400000000, -0.0000610100000000, -0.0008989800000000 ] - [ 0.0180284000000000, -0.0051352900000000, -0.0016585300000000 ] - [ -0.0011612200000000, 0.0000464900000000, -0.0024098300000000 ] - [ -0.0007411600000000, -0.0001016600000000, -0.0005153600000000 ] - [ -0.0017633800000000, 0.0001099400000000, -0.0000753100000000 ] - [ -0.0009219700000000, 0.0002293400000000, 0.0006420700000000 ] - [ -0.0005525800000000, -0.0003334600000000, 0.0001346000000000 ] - [ -0.0000264000000000, -0.0002193300000000, -0.0000194500000000 ] - [ -0.0006636800000000, -0.0008989300000000, -0.0010779200000000 ] - [ -0.0004367500000000, -0.0002825800000000, 0.0039137600000000 ] - [ 0.0002736500000000, 0.0001996300000000, 0.0003699100000000 ] - [ 0.0050361300000000, 0.0008066900000000, 0.0052285100000000 ] - [ 0.0022016800000000, 0.0011707400000000, -0.0018423400000000 ] - [ -0.0068568000000000, -0.0008233600000000, 0.0028939200000000 ] - [ -0.0000556000000000, -0.0006996800000000, 0.0009505600000000 ] - [ -0.0017633600000000, -0.0000825200000000, 0.0006801000000000 ] - [ 0.0975771700000000, -0.0717026100000000, 0.0338505100000000 ] - [ -0.0002561900000000, -0.0001905500000000, 0.0023925700000000 ] - [ -0.0014686300000000, -0.0003666700000000, -0.0001924700000000 ] - [ -0.0027916600000000, -0.0001101300000000, -0.0015324300000000 ] - [ -0.0004596100000000, -0.0002683200000000, -0.0016411000000000 ] - [ -0.0008566200000000, -0.0000104200000000, 0.0001527700000000 ] - [ -0.0003694100000000, -0.0000535800000000, 0.0006153900000000 ] - [ -0.0034999900000000, 0.0002848400000000, -0.0005323000000000 ] - [ -0.0002499500000000, -0.0003961800000000, -0.0023607400000000 ] - [ -0.0042242900000000, 0.0005064600000000, -0.0037128200000000 ] - [ -0.0014158900000000, 0.0006908200000000, 0.0000387900000000 ] - [ -0.0014556700000000, 0.0003927700000000, -0.0022701200000000 ] - [ 0.0030243800000000, 0.0019910000000000, -0.0028752000000000 ] - [ 0.0001698000000000, 0.0001385600000000, -0.0004894500000000 ] - [ 0.0040447600000000, -0.0046002300000000, 0.0009891000000000 ] - [ 0.0009649700000000, -0.0000993000000000, -0.0004411500000000 ] - [ 0.0041193000000000, -0.0021102200000000, -0.0041751900000000 ] - [ 0.0008900900000000, -0.0003519500000000, -0.0017064800000000 ] - [ 0.0008018500000000, -0.0000291100000000, -0.0010339100000000 ] - [ -0.0002840200000000, -0.0001396500000000, 0.0010396200000000 ] - [ 0.0004667500000000, -0.0005202200000000, 0.0001019700000000 ] - [ 0.0018267700000000, -0.0006303300000000, 0.0000228800000000 ] - [ 0.0008409400000000, -0.0000326500000000, 0.0000155100000000 ] - [ 0.0003365000000000, -0.0004535700000000, 0.0005412200000000 ] - [ 0.0011674700000000, -0.0001333900000000, 0.0004554400000000 ] - [ 0.0002916700000000, -0.0003841800000000, -0.0015798200000000 ] - [ 0.0003283200000000, 0.0000199900000000, -0.0013041100000000 ] - [ -0.0002979700000000, 0.0001204400000000, -0.0000942700000000 ] - [ -0.1147924800000000, 0.0928797800000000, -0.0308788700000000 ] - [ -0.0012291200000000, 0.0003601700000000, -0.0017092400000000 ] - [ -0.0012764700000000, 0.0005407300000000, 0.0013771300000000 ] - [ -0.0033034700000000, -0.0016856000000000, -0.0002555200000000 ] - [ -0.0007075000000000, 0.0000809900000000, -0.0009534400000000 ] - [ 0.0020963200000000, -0.0018695500000000, -0.0045698300000000 ] - [ -0.0005086200000000, -0.0001321200000000, 0.0005797700000000 ] - [ -0.0003381300000000, -0.0001979000000000, -0.0011199200000000 ] - [ -0.0002033800000000, -0.0000103500000000, -0.0014004800000000 ] - [ 0.0010056200000000, 0.0001741300000000, -0.0001212000000000 ] - [ -0.0008915700000000, -0.0001064900000000, -0.0009502400000000 ] - [ 0.0009580100000000, 0.0004880700000000, 0.0004083200000000 ] - [ -0.0004523100000000, 0.0005941100000000, -0.0006613000000000 ] - [ 0.0000118800000000, -0.0002122300000000, 0.0005469000000000 ] - [ 0.0010641200000000, 0.0005947400000000, -0.0006257200000000 ] - [ -0.0152632300000000, -0.0044313100000000, -0.0050939900000000 ] - [ 0.0012299900000000, -0.0003799100000000, -0.0000260300000000 ] - [ -0.0001469700000000, 0.0003049600000000, 0.0006442500000000 ] - [ 0.0001742700000000, 0.0006861300000000, -0.0020508700000000 ] - [ -0.0043806000000000, 0.0025754500000000, -0.0002432800000000 ] - [ 0.0046721700000000, 0.0016773800000000, -0.0052225700000000 ] - [ 0.0002628200000000, 0.0003469500000000, -0.0007975300000000 ] - [ 0.0002790200000000, 0.0000977000000000, 0.0004034600000000 ] - [ 0.0005989100000000, 0.0000690900000000, 0.0000533900000000 ] - [ 0.0015002400000000, -0.0002139300000000, -0.0002784200000000 ] - [ 0.0008417800000000, -0.0002111800000000, -0.0007344400000000 ] - [ -0.0003051300000000, -0.0002149400000000, -0.0005908500000000 ] - [ 0.0009920900000000, 0.0004582900000000, 0.0010377800000000 ] - [ 0.0001114700000000, 0.0003598700000000, 0.0006398200000000 ] - [ 0.0001804200000000, 0.0002743400000000, 0.0013886900000000 ] - [ 0.0013735200000000, -0.0005223600000000, 0.0004586600000000 ] - [ 0.0014001700000000, -0.0005061100000000, 0.0008072400000000 ] - [ -0.0000332400000000, -0.0000016000000000, 0.0006845100000000 ] - [ 0.0008691200000000, -0.0001917000000000, 0.0002446500000000 ] - [ 0.0008700800000000, 0.0001239500000000, 0.0000614100000000 ] - [ 0.0015471400000000, -0.0004953800000000, 0.0008739800000000 ] - [ -0.0002885700000000, 0.0003403500000000, 0.0003482300000000 ] - [ 0.0006259300000000, 0.0003461200000000, 0.0008275200000000 ] - [ -0.0002590900000000, 0.0002047600000000, 0.0012002100000000 ] - [ 0.0003691100000000, -0.0028372700000000, 0.0036032800000000 ] - [ 0.0005536400000000, -0.0007412700000000, 0.0008763700000000 ] - [ -0.0042561000000000, -0.0009977400000000, -0.0019771700000000 ] - [ -0.0001308500000000, 0.0000232600000000, 0.0009389200000000 ] - [ -0.0007284900000000, -0.0003173400000000, 0.0008934400000000 ] - [ 0.0027888600000000, 0.0007073900000000, 0.0018143100000000 ] - [ 0.0006925900000000, -0.0000734600000000, 0.0000442400000000 ] - [ 0.0092335300000000, -0.0057060700000000, 0.0047954200000000 ] - [ -0.0010081900000000, -0.0001457400000000, -0.0005861800000000 ] - [ 0.0006879400000000, 0.0003480300000000, 0.0004764900000000 ] - [ 0.0006161000000000, -0.0001935600000000, 0.0000755700000000 ] - [ 0.0012932700000000, 0.0004207300000000, 0.0004989400000000 ] - [ 0.0006756600000000, -0.0002783500000000, 0.0011445800000000 ] - [ -0.0014901500000000, 0.0006591800000000, 0.0008165000000000 ] - [ -0.0170266500000000, -0.0014613100000000, 0.0036603900000000 ] - [ 0.0051566100000000, 0.0012222400000000, 0.0005910600000000 ] - [ 0.0020280200000000, 0.0012815500000000, 0.0029412500000000 ] - [ 0.0008847900000000, 0.0002225700000000, 0.0012275900000000 ]- atom: 56 displacement: [ -0.0099999987502926, 0.0000000000000000, 0.0000049994145799 ] forces: - [ -0.0006157600000000, 0.0006229900000000, -0.0021012200000000 ] - [ -0.0005686900000000, -0.0002369100000000, -0.0024935800000000 ] - [ -0.0001683800000000, 0.0001206600000000, -0.0004494100000000 ] - [ -0.0047559400000000, 0.0013518100000000, -0.0026751800000000 ] - [ 0.0021983300000000, -0.0001844500000000, 0.0002332500000000 ] - [ 0.0013219100000000, 0.0004070200000000, -0.0009048800000000 ] - [ -0.0022179500000000, 0.0000193300000000, -0.0006615600000000 ] - [ -0.0100763500000000, -0.0000441500000000, 0.0000503900000000 ] - [ 0.0009447700000000, 0.0003286100000000, 0.0018594200000000 ] - [ 0.0008731600000000, -0.0001046300000000, 0.0018913100000000 ] - [ -0.0008714100000000, 0.0004890100000000, 0.0003773500000000 ] - [ 0.0015635300000000, 0.0001275500000000, 0.0013217500000000 ] - [ -0.0177397000000000, 0.0041239700000000, 0.0013960900000000 ] - [ 0.0013983900000000, 0.0005525300000000, 0.0036233000000000 ] - [ 0.0012601600000000, -0.0000425100000000, 0.0012157800000000 ] - [ 0.0019927600000000, -0.0000426700000000, -0.0003492700000000 ] - [ 0.0014244500000000, -0.0006354700000000, -0.0005579200000000 ] - [ 0.0000544500000000, -0.0001452200000000, -0.0002377500000000 ] - [ 0.0005224500000000, -0.0001867600000000, 0.0001214800000000 ] - [ 0.0001828400000000, 0.0004246600000000, 0.0009841300000000 ] - [ 0.0002464900000000, -0.0008938900000000, -0.0031620400000000 ] - [ -0.0008924300000000, -0.0001513900000000, -0.0009405800000000 ] - [ -0.0043516200000000, -0.0006269200000000, -0.0041741600000000 ] - [ -0.0015652600000000, -0.0011260000000000, 0.0024091100000000 ] - [ 0.0057581100000000, 0.0019591100000000, -0.0028495800000000 ] - [ 0.0002466200000000, -0.0004791400000000, -0.0017010500000000 ] - [ 0.0024211400000000, -0.0003865300000000, -0.0007305900000000 ] - [ -0.0985806800000000, 0.0763504100000000, -0.0354107400000000 ] - [ -0.0004395000000000, 0.0003942200000000, -0.0033945900000000 ] - [ 0.0008007800000000, -0.0001057700000000, 0.0002492000000000 ] - [ 0.0025876900000000, -0.0010654100000000, 0.0022791900000000 ] - [ -0.0001633400000000, 0.0003155800000000, 0.0010687400000000 ] - [ 0.0015484900000000, 0.0002142000000000, 0.0008614100000000 ] - [ 0.0009926400000000, 0.0001011600000000, -0.0000456400000000 ] - [ 0.0024191500000000, 0.0008622800000000, 0.0005700000000000 ] - [ 0.0004406000000000, -0.0007822200000000, 0.0015985900000000 ] - [ 0.0048823200000000, -0.0009749200000000, 0.0036295300000000 ] - [ 0.0024807200000000, 0.0004570900000000, -0.0000756700000000 ] - [ 0.0007568100000000, -0.0001882200000000, 0.0012492900000000 ] - [ -0.0037087900000000, -0.0024659600000000, 0.0029121900000000 ] - [ -0.0004738600000000, 0.0000123300000000, 0.0003183300000000 ] - [ -0.0043276200000000, 0.0038205600000000, -0.0006741700000000 ] - [ -0.0007213800000000, -0.0007065100000000, 0.0001398000000000 ] - [ -0.0037912700000000, 0.0017127100000000, 0.0045500200000000 ] - [ -0.0013016900000000, -0.0000758300000000, 0.0013738400000000 ] - [ -0.0004932800000000, 0.0001786700000000, 0.0011909200000000 ] - [ -0.0000247800000000, 0.0002937000000000, -0.0012001200000000 ] - [ -0.0007012000000000, -0.0002646300000000, 0.0002194800000000 ] - [ -0.0015790000000000, -0.0001660300000000, -0.0003321500000000 ] - [ -0.0004296700000000, -0.0004016200000000, 0.0003026700000000 ] - [ -0.0007427400000000, 0.0000185900000000, -0.0008573000000000 ] - [ -0.0008506200000000, 0.0002879200000000, -0.0002919200000000 ] - [ 0.0002283800000000, 0.0009654800000000, 0.0014949900000000 ] - [ 0.0001085200000000, 0.0003788200000000, 0.0000979200000000 ] - [ 0.0003147700000000, 0.0003498900000000, 0.0010741500000000 ] - [ 0.1166348100000000, -0.0959617400000000, 0.0325523000000000 ] - [ 0.0011299900000000, -0.0003746700000000, 0.0011783100000000 ] - [ 0.0008344000000000, -0.0001390000000000, -0.0001730500000000 ] - [ 0.0036848800000000, 0.0008155600000000, 0.0002517900000000 ] - [ 0.0015148800000000, 0.0001714700000000, 0.0006524300000000 ] - [ -0.0015326900000000, 0.0013984000000000, 0.0047791600000000 ] - [ 0.0001268700000000, 0.0003642100000000, -0.0000383800000000 ] - [ 0.0004556700000000, 0.0003794500000000, 0.0011555600000000 ] - [ -0.0006008300000000, 0.0002564000000000, 0.0016814900000000 ] - [ -0.0001025600000000, -0.0001843200000000, 0.0001446600000000 ] - [ 0.0005046400000000, -0.0007676500000000, 0.0009292400000000 ] - [ -0.0009220800000000, -0.0002036000000000, -0.0002478200000000 ] - [ -0.0000659400000000, -0.0000138300000000, 0.0007416300000000 ] - [ -0.0003559500000000, 0.0000810900000000, 0.0001539900000000 ] - [ -0.0006601800000000, -0.0001404600000000, 0.0002037900000000 ] - [ 0.0148310400000000, 0.0039003200000000, 0.0049155300000000 ] - [ -0.0012586000000000, 0.0006620600000000, -0.0001344500000000 ] - [ -0.0007539100000000, -0.0003146900000000, -0.0006666500000000 ] - [ -0.0001915700000000, -0.0002193500000000, 0.0010689000000000 ] - [ 0.0042426200000000, -0.0023831400000000, 0.0002010700000000 ] - [ -0.0051127700000000, -0.0018065000000000, 0.0048408400000000 ] - [ 0.0001169800000000, -0.0001136700000000, 0.0002541500000000 ] - [ -0.0006780200000000, 0.0003554200000000, 0.0000154200000000 ] - [ -0.0013105300000000, -0.0002488400000000, 0.0001143700000000 ] - [ -0.0007807300000000, 0.0000329400000000, 0.0001088800000000 ] - [ -0.0004981200000000, 0.0000807000000000, 0.0000282500000000 ] - [ 0.0004070800000000, 0.0002003500000000, 0.0011193500000000 ] - [ -0.0004704100000000, 0.0001214400000000, -0.0011172700000000 ] - [ 0.0003252400000000, 0.0000404300000000, -0.0018410800000000 ] - [ -0.0001630600000000, 0.0001969300000000, -0.0004029700000000 ] - [ -0.0008767200000000, 0.0003798300000000, -0.0001332900000000 ] - [ -0.0014960600000000, 0.0004901800000000, -0.0013338700000000 ] - [ -0.0004047900000000, 0.0004004300000000, 0.0005220300000000 ] - [ -0.0004824000000000, -0.0006816000000000, -0.0002266600000000 ] - [ -0.0000623900000000, 0.0001229500000000, -0.0003476400000000 ] - [ -0.0010024800000000, 0.0000289800000000, -0.0006433100000000 ] - [ -0.0000924500000000, -0.0001070000000000, 0.0001949100000000 ] - [ -0.0005042600000000, -0.0001624500000000, -0.0007858900000000 ] - [ -0.0005467200000000, 0.0000423200000000, -0.0009095400000000 ] - [ 0.0005309200000000, 0.0028230200000000, -0.0035773900000000 ] - [ -0.0009361500000000, -0.0001334600000000, -0.0008907800000000 ] - [ 0.0042749700000000, 0.0012894100000000, 0.0021609600000000 ] - [ -0.0003870800000000, 0.0005543600000000, -0.0008511100000000 ] - [ 0.0003839700000000, 0.0001823800000000, -0.0001815600000000 ] - [ -0.0024032000000000, -0.0002802400000000, -0.0022231600000000 ] - [ -0.0012297900000000, -0.0003921900000000, -0.0002723100000000 ] - [ -0.0091592700000000, 0.0059285600000000, -0.0048862300000000 ] - [ 0.0001024300000000, 0.0001346300000000, 0.0005614900000000 ] - [ -0.0007020900000000, 0.0001225500000000, -0.0014549400000000 ] - [ -0.0007339300000000, 0.0003755200000000, -0.0001146700000000 ] - [ -0.0017807600000000, -0.0005602000000000, -0.0008222200000000 ] - [ -0.0002971100000000, 0.0005094900000000, -0.0016834300000000 ] - [ 0.0010871000000000, -0.0002001600000000, -0.0003898100000000 ] - [ 0.0164149100000000, 0.0012026400000000, -0.0035119900000000 ] - [ -0.0044114000000000, -0.0013688300000000, -0.0007456000000000 ] - [ -0.0016735000000000, -0.0014088100000000, -0.0036227200000000 ] - [ -0.0007804300000000, -0.0002351500000000, -0.0006932900000000 ]- atom: 56 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001563700000000, 0.0004497400000000, -0.0012053600000000 ] - [ -0.0002057200000000, -0.0001897300000000, -0.0014944000000000 ] - [ 0.0001032700000000, 0.0002659200000000, -0.0009526300000000 ] - [ -0.0029635100000000, 0.0016158100000000, -0.0005208600000000 ] - [ 0.0008112900000000, -0.0002108900000000, 0.0000472200000000 ] - [ 0.0007079500000000, 0.0003288600000000, -0.0000626900000000 ] - [ -0.0001510600000000, 0.0003217400000000, -0.0005137200000000 ] - [ 0.0023495000000000, 0.0133548200000000, 0.0107207100000000 ] - [ 0.0001985900000000, 0.0003990600000000, 0.0006567000000000 ] - [ -0.0002536200000000, -0.0000299400000000, 0.0002271400000000 ] - [ -0.0005285500000000, 0.0004233800000000, -0.0002802500000000 ] - [ 0.0004505900000000, 0.0000528500000000, 0.0003890100000000 ] - [ -0.0132557300000000, 0.0059684800000000, 0.0059903300000000 ] - [ -0.0003756600000000, 0.0003072800000000, 0.0017054000000000 ] - [ 0.0005190100000000, -0.0000809400000000, 0.0006397500000000 ] - [ 0.0008386400000000, 0.0000010700000000, -0.0002703700000000 ] - [ 0.0002695200000000, -0.0002959900000000, -0.0000016500000000 ] - [ -0.0000719800000000, -0.0002330700000000, -0.0001263400000000 ] - [ 0.0003508400000000, -0.0002390600000000, 0.0001398300000000 ] - [ -0.0004771100000000, -0.0001654600000000, -0.0000163000000000 ] - [ 0.0003841400000000, -0.0007266100000000, -0.0008867300000000 ] - [ -0.0006721800000000, -0.0001251200000000, -0.0008641900000000 ] - [ -0.0010587200000000, -0.0026545600000000, -0.0014988100000000 ] - [ -0.0001368400000000, 0.0006309900000000, 0.0004749100000000 ] - [ 0.0021208600000000, 0.0004141400000000, 0.0012552000000000 ] - [ 0.0004911400000000, -0.0005027300000000, -0.0011515300000000 ] - [ 0.0011829600000000, -0.0002845900000000, -0.0002207800000000 ] - [ -0.0799190400000000, 0.1042772000000000, -0.0386297100000000 ] - [ -0.0000462300000000, 0.0003845000000000, -0.0023636000000000 ] - [ 0.0001725600000000, -0.0001734300000000, -0.0000718000000000 ] - [ 0.0007063200000000, -0.0007388900000000, 0.0012400100000000 ] - [ -0.0003314900000000, 0.0000233700000000, -0.0002352700000000 ] - [ 0.0007742400000000, 0.0001451700000000, 0.0006883000000000 ] - [ 0.0005521900000000, 0.0000754600000000, 0.0000685700000000 ] - [ 0.0003795300000000, 0.0006619300000000, 0.0001977500000000 ] - [ 0.0000521100000000, -0.0007136400000000, 0.0002053400000000 ] - [ 0.0023719400000000, -0.0022060500000000, 0.0026171700000000 ] - [ 0.0013666000000000, 0.0005255500000000, -0.0000738100000000 ] - [ -0.0000761000000000, 0.0000306500000000, 0.0000053600000000 ] - [ -0.0022079100000000, -0.0051764300000000, 0.0018114500000000 ] - [ -0.0003817200000000, 0.0000545900000000, 0.0001835500000000 ] - [ -0.0009419200000000, 0.0025526200000000, 0.0002569800000000 ] - [ -0.0002994100000000, -0.0005799500000000, -0.0001362900000000 ] - [ -0.0011999300000000, -0.0003018100000000, 0.0020474800000000 ] - [ -0.0009140400000000, -0.0000389400000000, 0.0005016800000000 ] - [ -0.0001915400000000, 0.0001053700000000, 0.0004754700000000 ] - [ -0.0000567300000000, 0.0002253100000000, -0.0004172200000000 ] - [ -0.0004029800000000, -0.0003358300000000, 0.0001789400000000 ] - [ -0.0003392500000000, -0.0000590800000000, -0.0002943400000000 ] - [ -0.0000376900000000, -0.0002922400000000, 0.0001756200000000 ] - [ -0.0002786500000000, -0.0001369300000000, -0.0003249600000000 ] - [ -0.0001943300000000, 0.0002333300000000, -0.0002346500000000 ] - [ 0.0001077900000000, 0.0005530600000000, 0.0006345000000000 ] - [ 0.0001408800000000, 0.0002755900000000, -0.0002147400000000 ] - [ -0.0000562100000000, 0.0003398500000000, 0.0009305300000000 ] - [ 0.0965083900000000, -0.1725060900000000, 0.0197164300000000 ] - [ 0.0000948800000000, -0.0001687200000000, 0.0002581500000000 ] - [ -0.0001658400000000, 0.0000080200000000, 0.0006861500000000 ] - [ 0.0013589800000000, -0.0001829900000000, -0.0009209900000000 ] - [ 0.0004083700000000, -0.0000402400000000, 0.0010577900000000 ] - [ -0.0036295600000000, 0.0034851900000000, 0.0042647700000000 ] - [ -0.0000920500000000, 0.0001742700000000, 0.0004546000000000 ] - [ 0.0001442200000000, 0.0002201300000000, 0.0007973100000000 ] - [ -0.0006686700000000, 0.0002094700000000, 0.0011382600000000 ] - [ 0.0002290400000000, -0.0000947300000000, 0.0000936200000000 ] - [ 0.0000721000000000, -0.0006344700000000, 0.0005104100000000 ] - [ -0.0003394700000000, 0.0000010100000000, 0.0000233600000000 ] - [ -0.0003215600000000, 0.0000987900000000, 0.0005172700000000 ] - [ -0.0003341600000000, -0.0000882700000000, 0.0004112700000000 ] - [ -0.0001512300000000, 0.0000906900000000, -0.0000556900000000 ] - [ -0.0001581400000000, 0.0342235200000000, 0.0033735400000000 ] - [ -0.0005144200000000, 0.0003504800000000, -0.0001066300000000 ] - [ -0.0005499500000000, -0.0000136000000000, -0.0000678100000000 ] - [ -0.0002044600000000, 0.0000492500000000, 0.0001557600000000 ] - [ 0.0004070600000000, 0.0000632600000000, 0.0008347000000000 ] - [ -0.0019974800000000, -0.0026362900000000, 0.0012259000000000 ] - [ 0.0001654900000000, 0.0000293500000000, 0.0000175100000000 ] - [ -0.0004140700000000, 0.0003144200000000, 0.0002705400000000 ] - [ -0.0007414100000000, -0.0001667100000000, 0.0001753500000000 ] - [ -0.0000451800000000, -0.0000675100000000, -0.0000302000000000 ] - [ -0.0001639900000000, -0.0000152700000000, -0.0002354200000000 ] - [ -0.0000244600000000, 0.0001046700000000, 0.0006472500000000 ] - [ 0.0001385800000000, 0.0001739700000000, -0.0004890500000000 ] - [ 0.0003669700000000, 0.0001523500000000, -0.0008721400000000 ] - [ -0.0000022700000000, 0.0002176200000000, 0.0001891200000000 ] - [ -0.0002030500000000, 0.0001079600000000, 0.0000516000000000 ] - [ -0.0004581900000000, 0.0001668900000000, -0.0006472500000000 ] - [ -0.0002579700000000, 0.0002689100000000, 0.0006017600000000 ] - [ -0.0000490800000000, -0.0005272800000000, -0.0000780800000000 ] - [ 0.0002774000000000, 0.0001197900000000, -0.0002575900000000 ] - [ -0.0001503000000000, -0.0001428700000000, -0.0001006400000000 ] - [ -0.0000257000000000, 0.0000105500000000, 0.0003099500000000 ] - [ -0.0000845100000000, 0.0000114500000000, -0.0001622000000000 ] - [ -0.0003793500000000, 0.0001137900000000, -0.0002075300000000 ] - [ 0.0013895900000000, -0.0014279100000000, 0.0017397600000000 ] - [ -0.0003746400000000, -0.0003519500000000, -0.0002075600000000 ] - [ 0.0026743700000000, 0.0020229500000000, 0.0047201000000000 ] - [ -0.0002675600000000, 0.0003764600000000, -0.0002522100000000 ] - [ 0.0004401700000000, 0.0004037000000000, -0.0002563500000000 ] - [ 0.0013957100000000, 0.0018909900000000, -0.0015158200000000 ] - [ -0.0006510800000000, -0.0002939600000000, -0.0001736500000000 ] - [ -0.0066952100000000, 0.0017955500000000, -0.0048204800000000 ] - [ -0.0001666500000000, 0.0000716100000000, 0.0004848900000000 ] - [ -0.0000812900000000, 0.0002976900000000, -0.0008832100000000 ] - [ -0.0003038700000000, 0.0001961500000000, -0.0000557200000000 ] - [ -0.0007329200000000, -0.0002279900000000, -0.0003460400000000 ] - [ 0.0006159600000000, 0.0001022300000000, -0.0002250700000000 ] - [ 0.0000824300000000, 0.0004320600000000, -0.0006247500000000 ] - [ 0.0046413300000000, 0.0095981000000000, -0.0076392000000000 ] - [ 0.0010258400000000, 0.0036450600000000, -0.0030227900000000 ] - [ -0.0005207300000000, -0.0004501500000000, -0.0018810200000000 ] - [ -0.0000493900000000, -0.0000671400000000, 0.0000060900000000 ]- atom: 56 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001559200000000, 0.0004141800000000, 0.0012157000000000 ] - [ -0.0003188600000000, 0.0000467400000000, 0.0008038200000000 ] - [ -0.0003446100000000, 0.0003340300000000, -0.0002676000000000 ] - [ 0.0027371800000000, -0.0015380900000000, 0.0009506500000000 ] - [ -0.0008209900000000, -0.0002384100000000, -0.0000473200000000 ] - [ -0.0004793300000000, 0.0002707100000000, 0.0012968400000000 ] - [ 0.0006720000000000, -0.0004635200000000, 0.0012290000000000 ] - [ -0.0019130900000000, -0.0132730000000000, -0.0108866800000000 ] - [ -0.0001979800000000, 0.0004677700000000, -0.0006604700000000 ] - [ -0.0002668600000000, -0.0001150900000000, -0.0009356700000000 ] - [ 0.0002999000000000, 0.0001751900000000, -0.0009392400000000 ] - [ -0.0006924900000000, 0.0000137000000000, 0.0000330000000000 ] - [ 0.0139327800000000, -0.0071519300000000, -0.0064149300000000 ] - [ 0.0006181100000000, 0.0002898800000000, -0.0004850600000000 ] - [ 0.0000033100000000, -0.0000630100000000, 0.0000650300000000 ] - [ -0.0006111400000000, 0.0000662200000000, -0.0001516300000000 ] - [ 0.0002195800000000, -0.0001112800000000, 0.0000920700000000 ] - [ -0.0004247000000000, -0.0002453500000000, 0.0000208900000000 ] - [ 0.0001435300000000, -0.0001666500000000, -0.0000370600000000 ] - [ -0.0000092800000000, -0.0003108200000000, -0.0000820200000000 ] - [ -0.0005806400000000, -0.0004492800000000, 0.0016594800000000 ] - [ 0.0000492600000000, 0.0001744200000000, 0.0003039600000000 ] - [ 0.0017700400000000, 0.0028554400000000, 0.0024625500000000 ] - [ 0.0007657500000000, -0.0005853800000000, 0.0000973900000000 ] - [ -0.0032090500000000, 0.0007649800000000, -0.0012356200000000 ] - [ -0.0003037900000000, -0.0006760100000000, 0.0004022200000000 ] - [ -0.0005295200000000, -0.0001863300000000, 0.0001705400000000 ] - [ 0.0766216400000000, -0.0987841800000000, 0.0363249400000000 ] - [ -0.0006568700000000, -0.0001849300000000, 0.0013666900000000 ] - [ -0.0008428100000000, -0.0002993700000000, 0.0001275600000000 ] - [ -0.0009033000000000, -0.0004386700000000, -0.0004905000000000 ] - [ -0.0002933900000000, 0.0000246500000000, -0.0003346700000000 ] - [ -0.0000814300000000, 0.0000586000000000, 0.0003268800000000 ] - [ 0.0000686000000000, -0.0000289100000000, 0.0005066200000000 ] - [ -0.0014635300000000, 0.0004836400000000, -0.0001624300000000 ] - [ 0.0001501000000000, -0.0004621000000000, -0.0009643600000000 ] - [ -0.0017156700000000, 0.0017570800000000, -0.0027109700000000 ] - [ -0.0003033800000000, 0.0006220000000000, 0.0000361500000000 ] - [ -0.0006221100000000, 0.0001739500000000, -0.0010285700000000 ] - [ 0.0015821600000000, 0.0047042700000000, -0.0017338200000000 ] - [ 0.0000773300000000, 0.0000968300000000, -0.0003536900000000 ] - [ 0.0006925500000000, -0.0033606500000000, 0.0000560200000000 ] - [ 0.0005447900000000, -0.0002285300000000, -0.0001584200000000 ] - [ 0.0016167500000000, -0.0001503200000000, -0.0017410200000000 ] - [ 0.0005050300000000, -0.0003924200000000, -0.0008341000000000 ] - [ 0.0005022300000000, 0.0000458100000000, -0.0003236700000000 ] - [ -0.0002561100000000, -0.0000730400000000, 0.0002608400000000 ] - [ 0.0001681700000000, -0.0004457200000000, 0.0001443900000000 ] - [ 0.0005907300000000, -0.0007373200000000, -0.0000115200000000 ] - [ 0.0004443100000000, -0.0001449000000000, 0.0001405000000000 ] - [ -0.0001296400000000, -0.0002969000000000, 0.0000092800000000 ] - [ 0.0005099400000000, -0.0000765400000000, 0.0003921500000000 ] - [ 0.0004125900000000, 0.0000219300000000, -0.0007276800000000 ] - [ 0.0002991100000000, 0.0001235000000000, -0.0009963600000000 ] - [ 0.0000742900000000, 0.0001295300000000, 0.0000478200000000 ] - [ -0.0923851500000000, 0.1683545900000000, -0.0169612500000000 ] - [ -0.0001972000000000, 0.0001561000000000, -0.0007950800000000 ] - [ -0.0002715500000000, 0.0003916900000000, 0.0005152300000000 ] - [ -0.0009719800000000, -0.0006768200000000, 0.0009272100000000 ] - [ 0.0004000800000000, 0.0002813000000000, -0.0013337900000000 ] - [ 0.0042397200000000, -0.0040096100000000, -0.0040933600000000 ] - [ -0.0002874100000000, 0.0000576000000000, 0.0000857900000000 ] - [ -0.0000220300000000, -0.0000364800000000, -0.0007672700000000 ] - [ -0.0001337700000000, 0.0000360000000000, -0.0008614300000000 ] - [ 0.0006751900000000, 0.0000868500000000, -0.0000732800000000 ] - [ -0.0004567400000000, -0.0002404200000000, -0.0005319000000000 ] - [ 0.0003753600000000, 0.0002834400000000, 0.0001370500000000 ] - [ -0.0001968200000000, 0.0004798700000000, -0.0004348200000000 ] - [ -0.0000083700000000, -0.0000432100000000, 0.0002911400000000 ] - [ 0.0005570800000000, 0.0003651700000000, -0.0003691000000000 ] - [ -0.0005430600000000, -0.0342548200000000, -0.0034576500000000 ] - [ 0.0004885800000000, -0.0000695800000000, -0.0000537900000000 ] - [ -0.0003503900000000, 0.0000032700000000, 0.0000447800000000 ] - [ 0.0001898100000000, 0.0004230100000000, -0.0011468900000000 ] - [ -0.0005128800000000, 0.0001034400000000, -0.0008760400000000 ] - [ 0.0014837500000000, 0.0025342500000000, -0.0015368600000000 ] - [ 0.0002149600000000, 0.0002038900000000, -0.0005642700000000 ] - [ 0.0000153800000000, 0.0001390800000000, 0.0001495800000000 ] - [ 0.0000298400000000, -0.0000133300000000, -0.0000080200000000 ] - [ 0.0007660400000000, -0.0001135300000000, -0.0001395600000000 ] - [ 0.0005123800000000, -0.0001164300000000, -0.0004717300000000 ] - [ 0.0001274400000000, -0.0001194100000000, -0.0001194300000000 ] - [ 0.0003805100000000, 0.0004052300000000, 0.0004076900000000 ] - [ 0.0000692700000000, 0.0002473800000000, -0.0003312800000000 ] - [ 0.0000164700000000, 0.0002535100000000, 0.0007947300000000 ] - [ 0.0007001800000000, -0.0002505500000000, 0.0002733600000000 ] - [ 0.0003585700000000, -0.0001825200000000, 0.0001180900000000 ] - [ -0.0001789600000000, 0.0001296400000000, 0.0005997400000000 ] - [ 0.0004355700000000, -0.0003473700000000, 0.0000945600000000 ] - [ 0.0005296000000000, 0.0001274300000000, -0.0000299500000000 ] - [ 0.0006958600000000, -0.0003235400000000, 0.0003322400000000 ] - [ -0.0003564000000000, 0.0002224900000000, 0.0002287600000000 ] - [ 0.0002052500000000, 0.0001721200000000, 0.0002037400000000 ] - [ -0.0004287800000000, 0.0001332500000000, 0.0004993300000000 ] - [ -0.0004938100000000, 0.0014272500000000, -0.0017181300000000 ] - [ -0.0000084000000000, -0.0005236200000000, 0.0001931000000000 ] - [ -0.0026675400000000, -0.0017122900000000, -0.0045901200000000 ] - [ -0.0002544500000000, 0.0002007400000000, 0.0003384100000000 ] - [ -0.0007933300000000, -0.0005320600000000, 0.0009518200000000 ] - [ -0.0010404400000000, -0.0014681200000000, 0.0011027300000000 ] - [ 0.0001142600000000, -0.0001714400000000, -0.0000544700000000 ] - [ 0.0067258000000000, -0.0014942900000000, 0.0047146800000000 ] - [ -0.0007375900000000, -0.0000844400000000, -0.0005157000000000 ] - [ 0.0000638300000000, 0.0001718700000000, -0.0000966500000000 ] - [ 0.0001863700000000, -0.0000139100000000, 0.0000152000000000 ] - [ 0.0002471400000000, 0.0000895200000000, 0.0000240200000000 ] - [ -0.0002398300000000, 0.0001295300000000, -0.0003182700000000 ] - [ -0.0004922900000000, 0.0000225700000000, 0.0010343500000000 ] - [ -0.0054346000000000, -0.0097607400000000, 0.0077289300000000 ] - [ -0.0003035500000000, -0.0038794400000000, 0.0028984400000000 ] - [ 0.0008704200000000, 0.0003172400000000, 0.0011921000000000 ] - [ 0.0001472500000000, 0.0000522500000000, 0.0005253600000000 ]- atom: 56 displacement: [ -0.0057565208649526, 0.0000000000000000, 0.0081769473235044 ] forces: - [ 0.0010165300000000, 0.0003790400000000, -0.0022231200000000 ] - [ 0.0007124200000000, -0.0002059600000000, -0.0021790600000000 ] - [ 0.0003150200000000, 0.0003631000000000, -0.0016722900000000 ] - [ 0.0004602800000000, 0.0015772000000000, -0.0043765900000000 ] - [ 0.0006906900000000, -0.0002002800000000, -0.0000382300000000 ] - [ 0.0014391400000000, 0.0002852100000000, -0.0004672500000000 ] - [ 0.0003542100000000, -0.0001991600000000, -0.0024306700000000 ] - [ -0.0053403300000000, 0.0030233500000000, 0.0107994900000000 ] - [ -0.0004637800000000, 0.0003799900000000, 0.0000050000000000 ] - [ -0.0011687600000000, 0.0000615600000000, -0.0003912600000000 ] - [ -0.0011069200000000, 0.0005842800000000, -0.0017791200000000 ] - [ 0.0001700500000000, 0.0000070400000000, 0.0000621200000000 ] - [ -0.0135835100000000, 0.0101932700000000, 0.0147100600000000 ] - [ -0.0012556400000000, 0.0004085100000000, 0.0009532800000000 ] - [ 0.0000408600000000, -0.0001536900000000, -0.0000930600000000 ] - [ 0.0008442500000000, -0.0000010400000000, -0.0005084500000000 ] - [ 0.0010064300000000, 0.0002493400000000, 0.0003922400000000 ] - [ 0.0000338400000000, -0.0002950900000000, -0.0001093100000000 ] - [ 0.0003500900000000, -0.0003288000000000, 0.0002601600000000 ] - [ -0.0001542700000000, 0.0001323000000000, 0.0005106500000000 ] - [ 0.0016567300000000, -0.0007603000000000, -0.0013295700000000 ] - [ 0.0000286500000000, -0.0002573400000000, -0.0019576400000000 ] - [ 0.0016140200000000, 0.0023373500000000, -0.0028565800000000 ] - [ -0.0015165500000000, 0.0004322800000000, -0.0008291600000000 ] - [ 0.0045729600000000, 0.0029464400000000, 0.0011979800000000 ] - [ 0.0011232900000000, -0.0003931600000000, -0.0016604400000000 ] - [ 0.0014265400000000, -0.0001784900000000, 0.0000051500000000 ] - [ -0.0274960200000000, 0.0112674200000000, 0.0170580000000000 ] - [ 0.0009075600000000, 0.0001436100000000, -0.0025794900000000 ] - [ 0.0001625300000000, -0.0001461700000000, -0.0003926600000000 ] - [ -0.0003583000000000, -0.0005310900000000, 0.0007626800000000 ] - [ -0.0006882800000000, -0.0001059700000000, -0.0008937800000000 ] - [ 0.0005479700000000, 0.0001142300000000, 0.0005177700000000 ] - [ 0.0008419600000000, 0.0002198200000000, -0.0005495400000000 ] - [ 0.0000681900000000, 0.0007382900000000, 0.0003370300000000 ] - [ -0.0015370400000000, -0.0010282200000000, -0.0005964200000000 ] - [ 0.0012533800000000, -0.0008810900000000, 0.0041140200000000 ] - [ 0.0013330700000000, 0.0005194900000000, -0.0001683600000000 ] - [ -0.0005940400000000, 0.0000980300000000, -0.0001100900000000 ] - [ -0.0064368300000000, -0.0014669200000000, -0.0030808900000000 ] - [ -0.0004991100000000, 0.0000474500000000, 0.0003407800000000 ] - [ -0.0006315700000000, -0.0000357400000000, -0.0007273000000000 ] - [ -0.0003904300000000, -0.0006648900000000, -0.0003666000000000 ] - [ -0.0044781300000000, 0.0026127100000000, -0.0001112900000000 ] - [ -0.0012054300000000, -0.0000834700000000, 0.0006762200000000 ] - [ -0.0004758100000000, 0.0000589600000000, 0.0004525500000000 ] - [ 0.0004728600000000, 0.0002592500000000, -0.0004210000000000 ] - [ -0.0004700100000000, -0.0003553600000000, 0.0001530300000000 ] - [ -0.0002954800000000, -0.0004140000000000, -0.0004488100000000 ] - [ 0.0000586700000000, -0.0002628500000000, 0.0001398200000000 ] - [ -0.0001318500000000, -0.0002032900000000, -0.0005264000000000 ] - [ 0.0002336500000000, 0.0001054600000000, -0.0002583400000000 ] - [ -0.0003272300000000, 0.0007502600000000, 0.0009694600000000 ] - [ -0.0003862300000000, 0.0001288700000000, 0.0003826500000000 ] - [ -0.0003424400000000, 0.0004264600000000, 0.0013799800000000 ] - [ 0.0403733800000000, -0.0389100200000000, -0.0396291200000000 ] - [ -0.0006820700000000, -0.0001364100000000, 0.0002535700000000 ] - [ 0.0000094400000000, -0.0000205300000000, 0.0014777800000000 ] - [ 0.0002386800000000, -0.0011036800000000, 0.0033042200000000 ] - [ -0.0004380700000000, -0.0000340800000000, 0.0018858400000000 ] - [ -0.0022681000000000, 0.0010374400000000, 0.0026943900000000 ] - [ 0.0002199300000000, 0.0001475900000000, 0.0009895700000000 ] - [ -0.0006508600000000, -0.0001201400000000, 0.0011618000000000 ] - [ -0.0012421300000000, 0.0001808300000000, 0.0018277700000000 ] - [ 0.0000944500000000, -0.0002714900000000, 0.0003555100000000 ] - [ -0.0005525800000000, -0.0003913500000000, 0.0008276500000000 ] - [ -0.0002533100000000, 0.0000226600000000, 0.0001414900000000 ] - [ -0.0005910800000000, -0.0000265900000000, 0.0010332900000000 ] - [ -0.0004169600000000, -0.0002255900000000, 0.0006601000000000 ] - [ -0.0002763600000000, 0.0000701500000000, 0.0000101000000000 ] - [ 0.0029202400000000, 0.0091057700000000, -0.0053240300000000 ] - [ -0.0006053500000000, 0.0003872900000000, -0.0001070800000000 ] - [ -0.0004138300000000, 0.0001612400000000, 0.0002641600000000 ] - [ -0.0007423200000000, -0.0002674600000000, 0.0006010700000000 ] - [ 0.0002632900000000, 0.0000822600000000, 0.0009899700000000 ] - [ -0.0071218000000000, -0.0021872600000000, 0.0026204300000000 ] - [ -0.0000780600000000, 0.0000373500000000, 0.0002803500000000 ] - [ -0.0003916300000000, 0.0003635900000000, 0.0004916600000000 ] - [ -0.0007106100000000, -0.0001930300000000, 0.0003077900000000 ] - [ 0.0000278900000000, -0.0001421200000000, -0.0000777800000000 ] - [ -0.0006195300000000, 0.0000201600000000, -0.0003435700000000 ] - [ -0.0005441600000000, 0.0001987200000000, 0.0007770400000000 ] - [ 0.0005398800000000, 0.0001878800000000, -0.0002353900000000 ] - [ 0.0005591300000000, 0.0002240600000000, -0.0005352400000000 ] - [ 0.0004273600000000, 0.0001466600000000, 0.0005757300000000 ] - [ -0.0001588400000000, 0.0000990300000000, 0.0001085700000000 ] - [ 0.0001788600000000, 0.0000023900000000, -0.0002351000000000 ] - [ -0.0004241600000000, 0.0002343600000000, 0.0011988700000000 ] - [ 0.0000499300000000, -0.0004750800000000, 0.0001025600000000 ] - [ 0.0004233100000000, 0.0000893200000000, -0.0000867900000000 ] - [ -0.0000047400000000, -0.0001657200000000, -0.0000569700000000 ] - [ 0.0000099100000000, 0.0000840600000000, 0.0008984700000000 ] - [ 0.0001486000000000, 0.0000903000000000, 0.0000013800000000 ] - [ -0.0000763800000000, 0.0001428400000000, -0.0001669300000000 ] - [ 0.0016125700000000, -0.0008871100000000, 0.0013233400000000 ] - [ -0.0000886000000000, -0.0004460400000000, 0.0000052900000000 ] - [ 0.0026264700000000, 0.0019083200000000, 0.0059740800000000 ] - [ 0.0001941600000000, 0.0003323200000000, 0.0001753200000000 ] - [ 0.0010472900000000, -0.0008653900000000, 0.0023826800000000 ] - [ 0.0041277200000000, 0.0033246000000000, -0.0011204200000000 ] - [ -0.0006068200000000, -0.0002670500000000, -0.0000896000000000 ] - [ -0.0009872800000000, -0.0003614500000000, -0.0044745200000000 ] - [ -0.0004060100000000, 0.0004760500000000, 0.0011958100000000 ] - [ 0.0003407000000000, 0.0003870700000000, -0.0006470200000000 ] - [ -0.0002534600000000, 0.0001516900000000, 0.0001240500000000 ] - [ -0.0005849200000000, -0.0001987900000000, -0.0002847500000000 ] - [ 0.0011554000000000, 0.0003118100000000, 0.0002404600000000 ] - [ 0.0007413800000000, 0.0008308700000000, 0.0015503000000000 ] - [ 0.0123416500000000, -0.0056450200000000, 0.0010913000000000 ] - [ -0.0021821200000000, 0.0008760000000000, -0.0054142500000000 ] - [ 0.0004653200000000, -0.0002306300000000, -0.0016335200000000 ] - [ 0.0008333000000000, 0.0001591700000000, 0.0005109800000000 ]- atom: 56 displacement: [ 0.0057565208649526, 0.0000000000000000, -0.0081769473235044 ] forces: - [ -0.0010180800000000, 0.0004913700000000, 0.0022308800000000 ] - [ -0.0012328800000000, 0.0000622400000000, 0.0014827500000000 ] - [ -0.0005538400000000, 0.0002360900000000, 0.0004475900000000 ] - [ -0.0006800700000000, -0.0015303800000000, 0.0048293400000000 ] - [ -0.0007001000000000, -0.0002514700000000, 0.0000386900000000 ] - [ -0.0012071800000000, 0.0003131300000000, 0.0017011500000000 ] - [ 0.0001689100000000, 0.0000500200000000, 0.0031362300000000 ] - [ 0.0057443200000000, -0.0029201300000000, -0.0111256700000000 ] - [ 0.0004628400000000, 0.0004905000000000, -0.0000112500000000 ] - [ 0.0006458300000000, -0.0002059700000000, -0.0003209600000000 ] - [ 0.0008800500000000, 0.0000122500000000, 0.0005526200000000 ] - [ -0.0004119100000000, 0.0000603200000000, 0.0003593000000000 ] - [ 0.0140097900000000, -0.0112796200000000, -0.0149075800000000 ] - [ 0.0014922600000000, 0.0001907500000000, 0.0002634100000000 ] - [ 0.0004803600000000, 0.0000101200000000, 0.0007962000000000 ] - [ -0.0006162800000000, 0.0000689400000000, 0.0000856700000000 ] - [ -0.0005102300000000, -0.0006431700000000, -0.0002848500000000 ] - [ -0.0005263200000000, -0.0001802200000000, 0.0000116300000000 ] - [ 0.0001412400000000, -0.0000753700000000, -0.0001637600000000 ] - [ -0.0003364900000000, -0.0006117800000000, -0.0006100700000000 ] - [ -0.0018453700000000, -0.0004164900000000, 0.0020860200000000 ] - [ -0.0006491000000000, 0.0003062700000000, 0.0013944500000000 ] - [ -0.0009133200000000, -0.0021106900000000, 0.0038949700000000 ] - [ 0.0021377200000000, -0.0003891700000000, 0.0013962100000000 ] - [ -0.0056749800000000, -0.0018292600000000, -0.0011691900000000 ] - [ -0.0009353200000000, -0.0007860100000000, 0.0009084600000000 ] - [ -0.0007684200000000, -0.0002914700000000, -0.0000519600000000 ] - [ 0.0290666700000000, -0.0105919200000000, -0.0169843800000000 ] - [ -0.0016079300000000, 0.0000608900000000, 0.0015759500000000 ] - [ -0.0008325000000000, -0.0003262900000000, 0.0004473700000000 ] - [ 0.0001606700000000, -0.0006465500000000, -0.0000121500000000 ] - [ 0.0000618900000000, 0.0001533900000000, 0.0003206800000000 ] - [ 0.0001456700000000, 0.0000894900000000, 0.0004974500000000 ] - [ -0.0002183300000000, -0.0001728000000000, 0.0011224000000000 ] - [ -0.0011563200000000, 0.0004090100000000, -0.0003003700000000 ] - [ 0.0017356200000000, -0.0001472600000000, -0.0001668500000000 ] - [ -0.0005967400000000, 0.0004038000000000, -0.0041857900000000 ] - [ -0.0002683500000000, 0.0006286700000000, 0.0001313300000000 ] - [ -0.0001070200000000, 0.0001074200000000, -0.0009147700000000 ] - [ 0.0058115600000000, 0.0010232800000000, 0.0031294000000000 ] - [ 0.0001939900000000, 0.0001037200000000, -0.0004998100000000 ] - [ 0.0003978700000000, -0.0007844300000000, 0.0010419500000000 ] - [ 0.0006425200000000, -0.0001282200000000, 0.0000622500000000 ] - [ 0.0047625900000000, -0.0030145900000000, 0.0004466700000000 ] - [ 0.0008054600000000, -0.0003489800000000, -0.0010006600000000 ] - [ 0.0007881000000000, 0.0000951900000000, -0.0003129300000000 ] - [ -0.0007867900000000, -0.0001070500000000, 0.0002751000000000 ] - [ 0.0002257500000000, -0.0004361800000000, 0.0001550000000000 ] - [ 0.0005625400000000, -0.0003863000000000, 0.0001463000000000 ] - [ 0.0003494000000000, -0.0001699400000000, 0.0001772800000000 ] - [ -0.0002667700000000, -0.0002332600000000, 0.0002166200000000 ] - [ 0.0000756200000000, 0.0000445700000000, 0.0004152500000000 ] - [ 0.0008466000000000, -0.0001709000000000, -0.0010590800000000 ] - [ 0.0008233600000000, 0.0002701900000000, -0.0015920400000000 ] - [ 0.0003618700000000, 0.0000432800000000, -0.0003982800000000 ] - [ -0.0409488400000000, 0.0398187300000000, 0.0400745500000000 ] - [ 0.0005787200000000, 0.0001242500000000, -0.0007909900000000 ] - [ -0.0004454200000000, 0.0004209100000000, -0.0002709300000000 ] - [ 0.0001414400000000, 0.0002155600000000, -0.0032594100000000 ] - [ 0.0012439900000000, 0.0002816300000000, -0.0021822000000000 ] - [ 0.0028151600000000, -0.0014996200000000, -0.0024856900000000 ] - [ -0.0005974200000000, 0.0000842800000000, -0.0004479400000000 ] - [ 0.0007718800000000, 0.0003043000000000, -0.0011274600000000 ] - [ 0.0004391500000000, 0.0000649400000000, -0.0015469900000000 ] - [ 0.0008084400000000, 0.0002608000000000, -0.0003336300000000 ] - [ 0.0001671000000000, -0.0004843100000000, -0.0008491500000000 ] - [ 0.0002866000000000, 0.0002627500000000, 0.0000182000000000 ] - [ 0.0000731100000000, 0.0006060500000000, -0.0009493500000000 ] - [ 0.0000731600000000, 0.0000939800000000, 0.0000463400000000 ] - [ 0.0006825200000000, 0.0003862500000000, -0.0004360300000000 ] - [ -0.0034617100000000, -0.0095890000000000, 0.0050265900000000 ] - [ 0.0005809100000000, -0.0001054300000000, -0.0000534400000000 ] - [ -0.0004858600000000, -0.0001724100000000, -0.0002863200000000 ] - [ 0.0007232500000000, 0.0007349800000000, -0.0015872900000000 ] - [ -0.0003815900000000, 0.0001039900000000, -0.0010375300000000 ] - [ 0.0067340200000000, 0.0020750900000000, -0.0029911300000000 ] - [ 0.0004562700000000, 0.0001958000000000, -0.0008255500000000 ] - [ -0.0000086600000000, 0.0000902000000000, -0.0000704100000000 ] - [ -0.0000041300000000, 0.0000121200000000, -0.0001433800000000 ] - [ 0.0006979800000000, -0.0000407400000000, -0.0000918300000000 ] - [ 0.0009647000000000, -0.0001533300000000, -0.0003685000000000 ] - [ 0.0006481600000000, -0.0002120000000000, -0.0002457000000000 ] - [ -0.0000198700000000, 0.0003909600000000, 0.0001520800000000 ] - [ -0.0001225400000000, 0.0001760900000000, -0.0006674500000000 ] - [ -0.0004110300000000, 0.0003248800000000, 0.0004120000000000 ] - [ 0.0006554500000000, -0.0002408100000000, 0.0002155700000000 ] - [ -0.0002789400000000, -0.0000167100000000, -0.0002962500000000 ] - [ -0.0000131300000000, 0.0001644800000000, 0.0000053500000000 ] - [ 0.0003367300000000, -0.0004005800000000, -0.0000862400000000 ] - [ 0.0003828600000000, 0.0001571800000000, -0.0002004500000000 ] - [ 0.0005549800000000, -0.0003007900000000, 0.0002876200000000 ] - [ -0.0003915500000000, 0.0001496100000000, -0.0003587900000000 ] - [ -0.0000250100000000, 0.0000955300000000, 0.0000414600000000 ] - [ -0.0007295400000000, 0.0001036900000000, 0.0004595300000000 ] - [ -0.0007185100000000, 0.0008871100000000, -0.0013139400000000 ] - [ -0.0002925600000000, -0.0004320000000000, -0.0000182200000000 ] - [ -0.0026300300000000, -0.0016597700000000, -0.0058859000000000 ] - [ -0.0007150600000000, 0.0002443100000000, -0.0000855800000000 ] - [ -0.0014031300000000, 0.0007340900000000, -0.0016807500000000 ] - [ -0.0037159300000000, -0.0028611400000000, 0.0007113700000000 ] - [ 0.0000675300000000, -0.0001982300000000, -0.0001386200000000 ] - [ 0.0009555700000000, 0.0006510000000000, 0.0043312100000000 ] - [ -0.0004986500000000, -0.0004887700000000, -0.0012252800000000 ] - [ -0.0003578700000000, 0.0000834500000000, -0.0003351900000000 ] - [ 0.0001347900000000, 0.0000322900000000, -0.0001646300000000 ] - [ 0.0001013100000000, 0.0000616000000000, -0.0000369200000000 ] - [ -0.0007775100000000, -0.0000781400000000, -0.0007815500000000 ] - [ -0.0011518200000000, -0.0003817600000000, -0.0011298200000000 ] - [ -0.0131221000000000, 0.0055367300000000, -0.0009545200000000 ] - [ 0.0029170100000000, -0.0010854900000000, 0.0052923600000000 ] - [ -0.0001142600000000, 0.0001041900000000, 0.0009377900000000 ] - [ -0.0007305600000000, -0.0001718200000000, 0.0000247300000000 ]- atom: 57 displacement: [ 0.0099999987502926, 0.0000000000000000, -0.0000049994145799 ] forces: - [ 0.0252377600000000, 0.0087252600000000, -0.0028154300000000 ] - [ -0.0005169400000000, 0.0009114600000000, 0.0099985700000000 ] - [ 0.0007397200000000, 0.0007816000000000, -0.0058861000000000 ] - [ 0.0000694600000000, 0.0001614000000000, 0.0031746000000000 ] - [ -0.0021115100000000, -0.0003593100000000, -0.0032552000000000 ] - [ -0.0077387700000000, -0.0008225600000000, -0.0006571000000000 ] - [ 0.0376468100000000, 0.0070077700000000, -0.0014698800000000 ] - [ -0.0022440500000000, -0.0001929400000000, 0.0058352800000000 ] - [ -0.0021430500000000, 0.0005174100000000, -0.0001746700000000 ] - [ -0.0041145800000000, -0.0000638100000000, -0.0020560700000000 ] - [ -0.0020641000000000, 0.0002751500000000, 0.0008252800000000 ] - [ -0.0019271300000000, -0.0003117000000000, -0.0035087900000000 ] - [ 0.0001772800000000, -0.0002730700000000, 0.0023915000000000 ] - [ -0.0036958500000000, -0.0001412100000000, 0.0015880700000000 ] - [ -0.0032553800000000, -0.0000334500000000, 0.0001082200000000 ] - [ -0.0040183800000000, 0.0007134100000000, -0.0025064600000000 ] - [ 0.0015457000000000, 0.0008349800000000, -0.0006981100000000 ] - [ 0.0000047000000000, -0.0005713200000000, -0.0002692200000000 ] - [ 0.0000232600000000, -0.0003991200000000, 0.0000583200000000 ] - [ -0.0001912600000000, 0.0000758200000000, -0.0002288900000000 ] - [ 0.1171092400000000, -0.0383916000000000, 0.0579255700000000 ] - [ -0.0027045000000000, 0.0005872900000000, 0.0028484900000000 ] - [ 0.0043486400000000, 0.0038763300000000, 0.0095708300000000 ] - [ -0.0057064400000000, 0.0000370100000000, 0.0011409300000000 ] - [ -0.0007284200000000, 0.0007584100000000, 0.0019091000000000 ] - [ 0.0096126600000000, -0.0008403000000000, -0.0042530100000000 ] - [ -0.0041933100000000, -0.0048579400000000, -0.0104344300000000 ] - [ 0.0025719000000000, 0.0006741600000000, 0.0021701100000000 ] - [ 0.0010511000000000, -0.0003155700000000, 0.0015473400000000 ] - [ -0.0014050900000000, -0.0001063400000000, -0.0031107400000000 ] - [ -0.0031444700000000, -0.0001457700000000, 0.0001830200000000 ] - [ -0.0066429300000000, 0.0009293300000000, -0.0048396600000000 ] - [ -0.0019008300000000, -0.0002846400000000, 0.0000575500000000 ] - [ -0.0046168600000000, -0.0004865800000000, 0.0017838200000000 ] - [ 0.0000925100000000, -0.0000561800000000, -0.0035925700000000 ] - [ -0.0018244700000000, -0.0008346900000000, -0.0007417600000000 ] - [ -0.0009149600000000, -0.0002431900000000, 0.0015357800000000 ] - [ -0.0005697700000000, 0.0010839400000000, -0.0018008300000000 ] - [ -0.0020035600000000, 0.0006102900000000, -0.0020675800000000 ] - [ 0.0000859900000000, -0.0002989500000000, 0.0015914100000000 ] - [ -0.0008049000000000, 0.0000449900000000, 0.0012062700000000 ] - [ -0.0007965300000000, -0.0002830300000000, 0.0000789100000000 ] - [ 0.0002468700000000, -0.0003888600000000, -0.0003138600000000 ] - [ -0.0028879800000000, -0.0007710400000000, -0.0010607700000000 ] - [ -0.0007356500000000, -0.0000979600000000, -0.0004907800000000 ] - [ -0.0004634800000000, 0.0008237300000000, 0.0034380500000000 ] - [ 0.0000483200000000, 0.0000203300000000, -0.0001225500000000 ] - [ -0.0000018800000000, -0.0004428600000000, 0.0004350900000000 ] - [ -0.0005605900000000, -0.0006043100000000, 0.0005745800000000 ] - [ 0.0007814700000000, -0.0000428000000000, 0.0002987200000000 ] - [ -0.0001859100000000, -0.0003002600000000, 0.0007181000000000 ] - [ 0.0008851800000000, 0.0001148300000000, -0.0002351000000000 ] - [ 0.0020758700000000, -0.0097318600000000, -0.0078464600000000 ] - [ 0.0037895600000000, 0.0008130300000000, -0.0045753700000000 ] - [ -0.0017434100000000, -0.0012108200000000, 0.0122382800000000 ] - [ -0.0009403600000000, 0.0000774000000000, -0.0014446200000000 ] - [ -0.2206814300000000, 0.0224945000000000, -0.0594229000000000 ] - [ 0.0037025000000000, -0.0037736400000000, 0.0024349100000000 ] - [ 0.0041242300000000, -0.0045969800000000, -0.0064560700000000 ] - [ -0.0047026000000000, 0.0002921900000000, -0.0020515000000000 ] - [ -0.0000329500000000, 0.0000464900000000, -0.0013319600000000 ] - [ 0.0099464300000000, 0.0043617300000000, 0.0113479300000000 ] - [ -0.0000961500000000, -0.0006352000000000, -0.0020069300000000 ] - [ -0.0019637300000000, -0.0004119300000000, -0.0016384200000000 ] - [ 0.0038958600000000, 0.0003122700000000, 0.0000042500000000 ] - [ -0.0007516300000000, 0.0001226800000000, -0.0017126600000000 ] - [ 0.0011586600000000, 0.0003196400000000, 0.0015617600000000 ] - [ -0.0049166400000000, 0.0034967200000000, 0.0038898000000000 ] - [ -0.0010246900000000, -0.0012724800000000, 0.0026124500000000 ] - [ 0.0024629500000000, 0.0008838200000000, 0.0017817600000000 ] - [ -0.0012851700000000, -0.0010641300000000, -0.0029066400000000 ] - [ 0.0034837700000000, -0.0007598200000000, 0.0027817100000000 ] - [ 0.0015328700000000, 0.0016414000000000, 0.0033516400000000 ] - [ 0.0276180700000000, 0.0074321400000000, -0.0028702500000000 ] - [ 0.0006386500000000, 0.0028866000000000, -0.0060833400000000 ] - [ -0.0006030100000000, 0.0000062800000000, -0.0011464600000000 ] - [ 0.0024627300000000, 0.0008433700000000, -0.0016612200000000 ] - [ 0.0002361800000000, 0.0007225100000000, 0.0021337400000000 ] - [ 0.0000438000000000, -0.0003349600000000, 0.0018838100000000 ] - [ 0.0008676200000000, 0.0011561500000000, 0.0030557400000000 ] - [ 0.0122829600000000, 0.0001213100000000, 0.0070377300000000 ] - [ -0.0065092200000000, -0.0008012700000000, -0.0059039500000000 ] - [ 0.0016045800000000, 0.0001415800000000, -0.0000293500000000 ] - [ 0.0026472400000000, 0.0006289900000000, -0.0007397500000000 ] - [ 0.0012017500000000, -0.0000516900000000, 0.0003046000000000 ] - [ 0.0016981700000000, -0.0004794900000000, 0.0014656600000000 ] - [ 0.0022657000000000, -0.0002493200000000, 0.0004486900000000 ] - [ 0.0018451600000000, -0.0003799000000000, -0.0007542000000000 ] - [ 0.0019210800000000, 0.0000025300000000, 0.0005569400000000 ] - [ 0.0016869800000000, 0.0000349600000000, -0.0007943900000000 ] - [ 0.0009386100000000, -0.0004157700000000, 0.0018682400000000 ] - [ 0.0015385800000000, 0.0000148400000000, -0.0000198700000000 ] - [ 0.0011143300000000, 0.0002303600000000, 0.0011518500000000 ] - [ 0.0005709800000000, 0.0003172700000000, 0.0002630200000000 ] - [ 0.0035507000000000, 0.0002094400000000, -0.0013112200000000 ] - [ 0.0013075900000000, -0.0007002400000000, 0.0012723600000000 ] - [ -0.0003693300000000, 0.0001790400000000, -0.0009038500000000 ] - [ 0.0006989600000000, 0.0003176500000000, -0.0000324000000000 ] - [ 0.0005367400000000, 0.0003610800000000, -0.0003931200000000 ] - [ 0.0014588000000000, 0.0006885400000000, -0.0013118100000000 ] - [ 0.0008825800000000, -0.0001253100000000, 0.0010028300000000 ] - [ 0.0006683000000000, -0.0004851600000000, -0.0013299900000000 ] - [ 0.0000968300000000, -0.0010857700000000, -0.0016484500000000 ] - [ 0.0015540100000000, 0.0008011000000000, -0.0006298400000000 ] - [ 0.0015347400000000, -0.0003453900000000, 0.0001917300000000 ] - [ 0.0005906600000000, 0.0000285500000000, 0.0013840800000000 ] - [ 0.0032593300000000, 0.0006893100000000, 0.0008605000000000 ] - [ -0.0000018600000000, 0.0000951700000000, -0.0008644000000000 ] - [ -0.0003282200000000, 0.0001054600000000, -0.0016599400000000 ] - [ 0.0011438800000000, -0.0002394300000000, -0.0019903000000000 ] - [ 0.0017919400000000, -0.0004306400000000, -0.0007986700000000 ] - [ 0.0020544300000000, 0.0001016200000000, 0.0009803900000000 ]- atom: 57 displacement: [ -0.0099999987502926, 0.0000000000000000, 0.0000049994145799 ] forces: - [ -0.0251673600000000, -0.0079650000000000, 0.0029416200000000 ] - [ -0.0000403600000000, -0.0010698100000000, -0.0107243600000000 ] - [ -0.0009244400000000, -0.0001834100000000, 0.0046187700000000 ] - [ -0.0003068500000000, -0.0000959000000000, -0.0027416400000000 ] - [ 0.0020994900000000, -0.0000925100000000, 0.0032395200000000 ] - [ 0.0079759000000000, 0.0014673000000000, 0.0019302000000000 ] - [ -0.0346678300000000, -0.0064298600000000, 0.0025307000000000 ] - [ 0.0024742100000000, 0.0002556100000000, -0.0061995300000000 ] - [ 0.0021288800000000, 0.0003512300000000, 0.0001720500000000 ] - [ 0.0035614500000000, -0.0000808700000000, 0.0013368300000000 ] - [ 0.0018214500000000, 0.0003235800000000, -0.0020500500000000 ] - [ 0.0016833900000000, 0.0003764900000000, 0.0039050500000000 ] - [ -0.0001685700000000, -0.0001749600000000, -0.0023762200000000 ] - [ 0.0038986800000000, 0.0007370600000000, -0.0003503700000000 ] - [ 0.0037615500000000, -0.0001105000000000, 0.0005955400000000 ] - [ 0.0042322600000000, -0.0006414800000000, 0.0020761600000000 ] - [ -0.0010467600000000, -0.0012354700000000, 0.0007867200000000 ] - [ -0.0004982100000000, 0.0000932800000000, 0.0001724300000000 ] - [ 0.0004713200000000, -0.0000073200000000, 0.0000433100000000 ] - [ -0.0003060400000000, -0.0005473000000000, 0.0001287600000000 ] - [ -0.1237507800000000, 0.0403966600000000, -0.0609910800000000 ] - [ 0.0020708300000000, -0.0005398100000000, -0.0034163600000000 ] - [ -0.0035124500000000, -0.0036678700000000, -0.0085835300000000 ] - [ 0.0062791600000000, 0.0000142500000000, -0.0005546000000000 ] - [ -0.0003468600000000, 0.0003911600000000, -0.0018524200000000 ] - [ -0.0093233300000000, -0.0003355200000000, 0.0035640100000000 ] - [ 0.0048311300000000, 0.0043544800000000, 0.0103214800000000 ] - [ -0.0014611200000000, 0.0004789000000000, -0.0022133000000000 ] - [ -0.0017605200000000, 0.0005214800000000, -0.0025304800000000 ] - [ 0.0007427700000000, -0.0003685800000000, 0.0031541300000000 ] - [ 0.0029321700000000, -0.0010293100000000, 0.0005747900000000 ] - [ 0.0059621300000000, -0.0008770400000000, 0.0042228800000000 ] - [ 0.0025856300000000, 0.0004869900000000, 0.0009592800000000 ] - [ 0.0052239900000000, 0.0005297200000000, -0.0012047300000000 ] - [ -0.0011689600000000, 0.0011995300000000, 0.0036110300000000 ] - [ 0.0020046700000000, -0.0003446500000000, -0.0000222000000000 ] - [ 0.0015757200000000, -0.0002280600000000, -0.0015712100000000 ] - [ 0.0016361300000000, 0.0000651100000000, 0.0017562600000000 ] - [ 0.0012931400000000, -0.0004023400000000, 0.0010371500000000 ] - [ -0.0007506000000000, -0.0001705200000000, -0.0015408100000000 ] - [ 0.0004834100000000, 0.0001120500000000, -0.0013576900000000 ] - [ 0.0005416700000000, -0.0005065700000000, 0.0002329300000000 ] - [ 0.0000055100000000, -0.0004118000000000, 0.0000082300000000 ] - [ 0.0032556300000000, 0.0003167100000000, 0.0014149700000000 ] - [ 0.0003289100000000, -0.0003364400000000, 0.0001672400000000 ] - [ 0.0007980700000000, -0.0006467500000000, -0.0032738800000000 ] - [ -0.0003589800000000, 0.0001341500000000, -0.0000275600000000 ] - [ -0.0002484000000000, -0.0003465000000000, -0.0001201300000000 ] - [ 0.0008131100000000, -0.0001909800000000, -0.0008734900000000 ] - [ -0.0003754500000000, -0.0003938100000000, 0.0000151600000000 ] - [ -0.0002160600000000, -0.0001363400000000, -0.0010258200000000 ] - [ -0.0005663200000000, 0.0000416600000000, 0.0003836900000000 ] - [ -0.0015426700000000, 0.0103663600000000, 0.0077947900000000 ] - [ -0.0033585400000000, -0.0004168800000000, 0.0033744900000000 ] - [ 0.0016927800000000, 0.0016750300000000, -0.0111655800000000 ] - [ 0.0014173300000000, -0.0002135400000000, 0.0017557900000000 ] - [ 0.2250862900000000, -0.0262410900000000, 0.0620863700000000 ] - [ -0.0041061500000000, 0.0041187200000000, -0.0012036200000000 ] - [ -0.0037063700000000, 0.0036438500000000, 0.0063827200000000 ] - [ 0.0053425100000000, -0.0000248900000000, 0.0018040000000000 ] - [ 0.0005730200000000, -0.0005081800000000, 0.0015502300000000 ] - [ -0.0101997600000000, -0.0040581900000000, -0.0106590100000000 ] - [ 0.0002274100000000, 0.0008278500000000, 0.0020419700000000 ] - [ 0.0012001100000000, 0.0006638400000000, 0.0018649700000000 ] - [ -0.0029867500000000, -0.0003214900000000, 0.0000159100000000 ] - [ 0.0003764200000000, -0.0010032300000000, 0.0016933800000000 ] - [ -0.0011263600000000, -0.0000375400000000, -0.0013941200000000 ] - [ 0.0043172800000000, -0.0029099300000000, -0.0038160000000000 ] - [ 0.0006597800000000, 0.0011344400000000, -0.0019004000000000 ] - [ -0.0020506500000000, -0.0004217300000000, -0.0022040600000000 ] - [ 0.0007272100000000, 0.0005975000000000, 0.0026646000000000 ] - [ -0.0034976700000000, 0.0010395600000000, -0.0029290300000000 ] - [ -0.0024212000000000, -0.0016279000000000, -0.0033381000000000 ] - [ -0.0283323300000000, -0.0071306800000000, 0.0019185900000000 ] - [ -0.0007850100000000, -0.0026429200000000, 0.0059637700000000 ] - [ 0.0001098900000000, -0.0001459400000000, 0.0008166500000000 ] - [ -0.0020744500000000, -0.0006093900000000, 0.0011171900000000 ] - [ -0.0006411100000000, -0.0002635800000000, -0.0016999800000000 ] - [ -0.0007590800000000, 0.0001536700000000, -0.0017061900000000 ] - [ -0.0001468600000000, -0.0013315000000000, -0.0032103300000000 ] - [ -0.0119024300000000, -0.0002535900000000, -0.0077314700000000 ] - [ 0.0066212300000000, 0.0007617600000000, 0.0063461700000000 ] - [ -0.0010754100000000, 0.0004349000000000, -0.0000567000000000 ] - [ -0.0021858100000000, -0.0002251900000000, -0.0004668300000000 ] - [ -0.0011786700000000, 0.0005210300000000, 0.0006800800000000 ] - [ -0.0011995500000000, 0.0003370600000000, -0.0011360300000000 ] - [ -0.0023527300000000, 0.0002335800000000, -0.0009763200000000 ] - [ -0.0022762900000000, 0.0007770700000000, 0.0019553700000000 ] - [ -0.0015292900000000, -0.0008761300000000, -0.0005386100000000 ] - [ -0.0008742800000000, 0.0002122100000000, 0.0005029600000000 ] - [ -0.0003912700000000, -0.0000505900000000, -0.0016276600000000 ] - [ -0.0019169400000000, 0.0002186800000000, 0.0005620600000000 ] - [ -0.0009862400000000, -0.0000455800000000, -0.0011013900000000 ] - [ -0.0013701500000000, -0.0000682400000000, 0.0000277800000000 ] - [ -0.0026186900000000, -0.0002204600000000, 0.0013123800000000 ] - [ -0.0016800300000000, -0.0001767100000000, -0.0012770300000000 ] - [ 0.0003987000000000, 0.0001044100000000, 0.0010617700000000 ] - [ -0.0012138400000000, 0.0002594400000000, 0.0001209700000000 ] - [ -0.0008790700000000, -0.0004924300000000, 0.0011014500000000 ] - [ -0.0010487200000000, -0.0002292100000000, 0.0008769700000000 ] - [ -0.0014182600000000, -0.0003400400000000, -0.0012268800000000 ] - [ -0.0006983100000000, 0.0007651400000000, 0.0011580800000000 ] - [ -0.0009946500000000, 0.0010779300000000, 0.0016267400000000 ] - [ -0.0015596700000000, -0.0003260000000000, -0.0003546600000000 ] - [ -0.0016470900000000, 0.0005273100000000, -0.0002313400000000 ] - [ -0.0010743300000000, -0.0001674800000000, -0.0016981200000000 ] - [ -0.0028538700000000, -0.0004524400000000, -0.0013932500000000 ] - [ -0.0003998400000000, 0.0003601500000000, 0.0012877200000000 ] - [ -0.0003989400000000, -0.0002934700000000, 0.0018285800000000 ] - [ -0.0004225600000000, 0.0000554600000000, 0.0018046900000000 ] - [ -0.0014349900000000, 0.0002934900000000, 0.0000860900000000 ] - [ -0.0019391500000000, -0.0001143700000000, -0.0004419500000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001721600000000, 0.0109150800000000, -0.0062702200000000 ] - [ -0.0019280400000000, 0.0005931000000000, -0.0024292100000000 ] - [ 0.0015654900000000, -0.0002359600000000, -0.0004379400000000 ] - [ -0.0010863600000000, -0.0001109000000000, 0.0004552000000000 ] - [ 0.0007789000000000, -0.0001687700000000, 0.0008698600000000 ] - [ 0.0003173000000000, -0.0026094800000000, -0.0012152600000000 ] - [ 0.0146933200000000, 0.0060480200000000, 0.0012169300000000 ] - [ 0.0000777100000000, 0.0000624300000000, -0.0002881000000000 ] - [ 0.0001811000000000, 0.0004139400000000, 0.0000404100000000 ] - [ 0.0000241300000000, -0.0000610700000000, -0.0001636300000000 ] - [ -0.0002722400000000, 0.0004310400000000, -0.0008992600000000 ] - [ 0.0004837900000000, 0.0000867500000000, 0.0006741000000000 ] - [ -0.0005027200000000, -0.0001889900000000, 0.0001038400000000 ] - [ 0.0002424300000000, 0.0002836600000000, 0.0006786500000000 ] - [ 0.0006428100000000, -0.0001622800000000, 0.0001785400000000 ] - [ 0.0014164800000000, -0.0002311700000000, 0.0000818700000000 ] - [ 0.0001207000000000, -0.0002713100000000, 0.0001194000000000 ] - [ -0.0002167800000000, -0.0002178000000000, 0.0001458200000000 ] - [ 0.0003146000000000, -0.0001989000000000, 0.0001609900000000 ] - [ -0.0002821800000000, -0.0002871100000000, 0.0000418500000000 ] - [ -0.0429293000000000, 0.0347699000000000, -0.0293328600000000 ] - [ -0.0008566800000000, -0.0000480500000000, -0.0011884300000000 ] - [ 0.0023133900000000, -0.0022219500000000, -0.0017003700000000 ] - [ 0.0005593400000000, 0.0001842500000000, 0.0004443100000000 ] - [ -0.0008582200000000, 0.0006068100000000, 0.0005682300000000 ] - [ 0.0005911100000000, 0.0009309200000000, 0.0005377500000000 ] - [ 0.0018968400000000, 0.0024534500000000, 0.0039683000000000 ] - [ -0.0004030900000000, 0.0003959000000000, 0.0001200700000000 ] - [ -0.0017845000000000, 0.0008086500000000, 0.0015777700000000 ] - [ 0.0005359500000000, -0.0004632000000000, 0.0009704000000000 ] - [ 0.0002154000000000, -0.0006136100000000, 0.0005318300000000 ] - [ -0.0000492200000000, 0.0000307500000000, -0.0005097900000000 ] - [ 0.0008080500000000, 0.0001642700000000, 0.0006259200000000 ] - [ 0.0012533600000000, 0.0003398100000000, -0.0010260700000000 ] - [ -0.0007564800000000, 0.0007601600000000, 0.0008998900000000 ] - [ 0.0000743900000000, -0.0006274500000000, -0.0003111900000000 ] - [ 0.0004501300000000, -0.0001483200000000, 0.0002566900000000 ] - [ 0.0010277200000000, 0.0004026900000000, 0.0004487900000000 ] - [ -0.0001749500000000, 0.0000483900000000, -0.0002118800000000 ] - [ -0.0007556500000000, -0.0002541800000000, 0.0000082500000000 ] - [ -0.0003596100000000, 0.0001452300000000, -0.0004387700000000 ] - [ 0.0000290200000000, -0.0004581800000000, 0.0000983000000000 ] - [ 0.0000958100000000, -0.0003559500000000, -0.0002922300000000 ] - [ 0.0005098700000000, -0.0003777900000000, -0.0005489400000000 ] - [ -0.0000407700000000, -0.0001926100000000, -0.0006040200000000 ] - [ 0.0010175100000000, -0.0015373100000000, -0.0002923500000000 ] - [ -0.0000747300000000, 0.0000890400000000, -0.0001486600000000 ] - [ -0.0002474500000000, -0.0003710500000000, 0.0000248200000000 ] - [ 0.0002617100000000, -0.0003830200000000, -0.0003509200000000 ] - [ 0.0000752100000000, -0.0002637900000000, 0.0000726600000000 ] - [ -0.0001421500000000, -0.0002143700000000, -0.0003730200000000 ] - [ 0.0000893800000000, 0.0000788100000000, -0.0000002700000000 ] - [ -0.0032467400000000, 0.0076480500000000, 0.0011325700000000 ] - [ 0.0005257300000000, 0.0006419600000000, 0.0001261600000000 ] - [ -0.0024186500000000, -0.0012882600000000, -0.0033950900000000 ] - [ 0.0006097300000000, -0.0002311100000000, 0.0002581200000000 ] - [ 0.0247938000000000, -0.0733710500000000, 0.0395645500000000 ] - [ -0.0004568000000000, -0.0006810100000000, 0.0012097800000000 ] - [ -0.0006811000000000, -0.0001721300000000, -0.0000110400000000 ] - [ -0.0012032900000000, 0.0206473900000000, 0.0008146900000000 ] - [ 0.0005299100000000, -0.0000656800000000, -0.0002710400000000 ] - [ -0.0003362300000000, 0.0010676200000000, 0.0007824500000000 ] - [ 0.0013705800000000, 0.0007326600000000, -0.0003630000000000 ] - [ 0.0042327300000000, 0.0008645400000000, -0.0051595700000000 ] - [ -0.0003298600000000, -0.0001270200000000, 0.0005103600000000 ] - [ 0.0006408700000000, -0.0010726200000000, 0.0002272400000000 ] - [ -0.0005762900000000, -0.0000121200000000, -0.0002980900000000 ] - [ -0.0022348700000000, 0.0038062000000000, 0.0019217200000000 ] - [ -0.0009048500000000, -0.0000186000000000, -0.0003844500000000 ] - [ -0.0004109700000000, -0.0003529500000000, -0.0004420000000000 ] - [ -0.0000142200000000, -0.0000039300000000, 0.0000746500000000 ] - [ -0.0012851100000000, 0.0004114600000000, -0.0011723900000000 ] - [ -0.0008153300000000, 0.0000320200000000, -0.0000484400000000 ] - [ 0.0124350700000000, -0.0055971100000000, 0.0037988200000000 ] - [ -0.0005172300000000, 0.0007374100000000, 0.0000581900000000 ] - [ -0.0000386700000000, 0.0000419800000000, -0.0002645800000000 ] - [ 0.0001679200000000, -0.0002074300000000, 0.0007473200000000 ] - [ -0.0005806800000000, 0.0002636100000000, -0.0000165000000000 ] - [ -0.0006269000000000, -0.0000199700000000, -0.0003076400000000 ] - [ 0.0001097000000000, -0.0004883500000000, -0.0008971400000000 ] - [ -0.0068445800000000, 0.0009889100000000, -0.0029432800000000 ] - [ 0.0008335300000000, -0.0030119900000000, -0.0009131300000000 ] - [ 0.0001527800000000, 0.0002821700000000, -0.0001064900000000 ] - [ 0.0000901000000000, 0.0001448000000000, -0.0005655900000000 ] - [ -0.0000547100000000, 0.0002258700000000, 0.0005261100000000 ] - [ -0.0002497700000000, 0.0001039800000000, -0.0001767300000000 ] - [ -0.0002913600000000, 0.0000278500000000, -0.0003623600000000 ] - [ -0.0005712000000000, 0.0003538900000000, 0.0010947400000000 ] - [ -0.0001501900000000, -0.0005331400000000, -0.0000118600000000 ] - [ 0.0002174900000000, 0.0001227500000000, -0.0000324500000000 ] - [ 0.0001024800000000, -0.0001808000000000, -0.0002552800000000 ] - [ 0.0000208900000000, -0.0000277300000000, 0.0006612200000000 ] - [ -0.0000886100000000, 0.0000417300000000, -0.0001004300000000 ] - [ -0.0004641600000000, 0.0001024000000000, 0.0000670600000000 ] - [ 0.0005980600000000, -0.0001804300000000, -0.0001413400000000 ] - [ -0.0003673100000000, -0.0003854600000000, -0.0001395300000000 ] - [ 0.0003865800000000, 0.0003345300000000, 0.0000891700000000 ] - [ -0.0002773200000000, 0.0003121000000000, 0.0000509400000000 ] - [ -0.0000436700000000, -0.0001347900000000, 0.0004654900000000 ] - [ 0.0001656200000000, 0.0002690600000000, -0.0003082700000000 ] - [ -0.0006573500000000, -0.0002775800000000, -0.0003775500000000 ] - [ -0.0000503900000000, 0.0001488600000000, -0.0001100200000000 ] - [ -0.0001021300000000, 0.0001277000000000, 0.0003354500000000 ] - [ -0.0001207100000000, 0.0002057600000000, -0.0005368500000000 ] - [ -0.0004337800000000, 0.0002244400000000, 0.0000321300000000 ] - [ -0.0004726300000000, -0.0001286700000000, -0.0005220800000000 ] - [ 0.0000097700000000, 0.0000802700000000, -0.0003320900000000 ] - [ 0.0000810100000000, 0.0001689700000000, 0.0002693600000000 ] - [ 0.0001167300000000, 0.0000057900000000, -0.0000833900000000 ] - [ 0.0005955300000000, -0.0002393400000000, -0.0003565800000000 ] - [ 0.0000728900000000, -0.0001294000000000, -0.0005051100000000 ] - [ -0.0000558400000000, 0.0000034500000000, 0.0002050500000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004087800000000, -0.0109418900000000, 0.0069443400000000 ] - [ 0.0014218000000000, -0.0007224700000000, 0.0017538700000000 ] - [ -0.0018269800000000, 0.0008363900000000, -0.0007915700000000 ] - [ 0.0008659800000000, 0.0001805200000000, -0.0000326000000000 ] - [ -0.0007881200000000, -0.0002834500000000, -0.0008796300000000 ] - [ -0.0000760600000000, 0.0032143000000000, 0.0024678700000000 ] - [ -0.0141069600000000, -0.0062800300000000, -0.0004685100000000 ] - [ 0.0001540100000000, 0.0000071800000000, -0.0001334700000000 ] - [ -0.0001833800000000, 0.0004559500000000, -0.0000414000000000 ] - [ -0.0005485300000000, -0.0000826100000000, -0.0005439400000000 ] - [ 0.0000387500000000, 0.0001667000000000, -0.0003226800000000 ] - [ -0.0007248200000000, -0.0000193900000000, -0.0002523800000000 ] - [ 0.0005090800000000, -0.0002635500000000, -0.0001033200000000 ] - [ -0.0000091100000000, 0.0003149900000000, 0.0005441600000000 ] - [ -0.0001259800000000, 0.0000188200000000, 0.0005276800000000 ] - [ -0.0011973800000000, 0.0003022700000000, -0.0005108500000000 ] - [ 0.0003740200000000, -0.0001307700000000, -0.0000284900000000 ] - [ -0.0002823900000000, -0.0002586300000000, -0.0002501400000000 ] - [ 0.0001800700000000, -0.0002055200000000, -0.0000642400000000 ] - [ -0.0002143000000000, -0.0001867900000000, -0.0001419000000000 ] - [ 0.0418924700000000, -0.0360439700000000, 0.0297814600000000 ] - [ 0.0002393300000000, 0.0000974500000000, 0.0006305700000000 ] - [ -0.0016713300000000, 0.0024243500000000, 0.0027930200000000 ] - [ 0.0000565200000000, -0.0001352800000000, 0.0001236400000000 ] - [ -0.0002108500000000, 0.0005408000000000, -0.0005361200000000 ] - [ -0.0003939600000000, -0.0020814600000000, -0.0012956000000000 ] - [ -0.0012485800000000, -0.0029605800000000, -0.0040767300000000 ] - [ 0.0014977300000000, 0.0007577500000000, -0.0001599700000000 ] - [ 0.0011087300000000, -0.0006152300000000, -0.0026214600000000 ] - [ -0.0012115800000000, -0.0000064700000000, -0.0009241700000000 ] - [ -0.0004127200000000, -0.0005644300000000, 0.0002218100000000 ] - [ -0.0005683000000000, 0.0000104200000000, -0.0000547400000000 ] - [ -0.0001177200000000, 0.0000391100000000, 0.0003889900000000 ] - [ -0.0006397000000000, -0.0002942000000000, 0.0016137300000000 ] - [ -0.0003132700000000, 0.0003854300000000, -0.0008710800000000 ] - [ 0.0001198900000000, -0.0005503900000000, -0.0004460700000000 ] - [ 0.0002128800000000, -0.0003251000000000, -0.0003171500000000 ] - [ 0.0000373100000000, 0.0007467900000000, -0.0004921300000000 ] - [ -0.0005231900000000, 0.0001563800000000, -0.0008082400000000 ] - [ 0.0000968000000000, -0.0002173300000000, 0.0000483200000000 ] - [ 0.0000513400000000, 0.0000093000000000, 0.0002900100000000 ] - [ -0.0002855800000000, -0.0003308700000000, 0.0002132700000000 ] - [ 0.0001586000000000, -0.0004414800000000, -0.0000113500000000 ] - [ -0.0001254200000000, -0.0000696200000000, 0.0008800400000000 ] - [ -0.0003633000000000, -0.0002435200000000, 0.0002938100000000 ] - [ -0.0007158100000000, 0.0016772300000000, 0.0004255000000000 ] - [ -0.0002387600000000, 0.0000650700000000, -0.0000042200000000 ] - [ -0.0000036500000000, -0.0004211200000000, 0.0002870100000000 ] - [ -0.0000072800000000, -0.0004144400000000, 0.0000504100000000 ] - [ 0.0003287200000000, -0.0001727100000000, 0.0002427900000000 ] - [ -0.0002618400000000, -0.0002199100000000, 0.0000593500000000 ] - [ 0.0002253200000000, 0.0000767800000000, 0.0001530800000000 ] - [ 0.0036130700000000, -0.0070934100000000, -0.0013335000000000 ] - [ -0.0000849300000000, -0.0002425500000000, -0.0013465000000000 ] - [ 0.0024442300000000, 0.0017960400000000, 0.0043778700000000 ] - [ -0.0001244600000000, 0.0000932300000000, 0.0000627500000000 ] - [ -0.0239339900000000, 0.0744322400000000, -0.0404987000000000 ] - [ 0.0000303200000000, 0.0010771900000000, -0.0000033000000000 ] - [ 0.0010865900000000, -0.0006667500000000, 0.0000278200000000 ] - [ 0.0021676400000000, -0.0204172100000000, -0.0011891900000000 ] - [ 0.0000082600000000, -0.0004021800000000, 0.0005045900000000 ] - [ -0.0000667000000000, -0.0008579800000000, -0.0002763100000000 ] - [ -0.0012696000000000, -0.0005595900000000, 0.0004068800000000 ] - [ -0.0051127100000000, -0.0006346200000000, 0.0055315400000000 ] - [ 0.0012421600000000, 0.0001178000000000, -0.0004930200000000 ] - [ -0.0010361700000000, 0.0002058200000000, -0.0002466600000000 ] - [ 0.0006133300000000, 0.0002974900000000, 0.0004615400000000 ] - [ 0.0017630800000000, -0.0032584800000000, -0.0017984200000000 ] - [ 0.0005685600000000, -0.0001141700000000, 0.0010975900000000 ] - [ 0.0008206700000000, 0.0008195600000000, 0.0000186600000000 ] - [ -0.0005295700000000, -0.0004694000000000, -0.0003118700000000 ] - [ 0.0012690900000000, -0.0001303500000000, 0.0010249900000000 ] - [ -0.0000856200000000, -0.0000462000000000, 0.0000205000000000 ] - [ -0.0124163000000000, 0.0061173600000000, -0.0047237800000000 ] - [ 0.0004147600000000, -0.0005709300000000, -0.0000972400000000 ] - [ -0.0004546600000000, -0.0001825000000000, -0.0000577700000000 ] - [ 0.0002040000000000, 0.0004402900000000, -0.0013017300000000 ] - [ 0.0001830300000000, 0.0001912500000000, 0.0004413300000000 ] - [ -0.0000874000000000, -0.0001621500000000, 0.0004792500000000 ] - [ 0.0006116900000000, 0.0003118200000000, 0.0007386900000000 ] - [ 0.0072625600000000, -0.0011185600000000, 0.0022678600000000 ] - [ -0.0007292900000000, 0.0030308400000000, 0.0014164900000000 ] - [ 0.0003686500000000, 0.0002950900000000, 0.0000213400000000 ] - [ 0.0003460000000000, 0.0002551900000000, -0.0006373500000000 ] - [ 0.0000720900000000, 0.0002455700000000, 0.0004578400000000 ] - [ 0.0007475700000000, -0.0002457800000000, 0.0005044100000000 ] - [ 0.0001927400000000, -0.0000419800000000, -0.0001687800000000 ] - [ 0.0001367700000000, 0.0000440100000000, 0.0001045500000000 ] - [ 0.0005385900000000, -0.0003420200000000, 0.0000288600000000 ] - [ 0.0005910900000000, 0.0001245700000000, -0.0002573200000000 ] - [ 0.0004410500000000, -0.0002848000000000, 0.0004875000000000 ] - [ -0.0004014100000000, 0.0002616900000000, -0.0001235300000000 ] - [ 0.0002107000000000, 0.0001436500000000, 0.0001416900000000 ] - [ -0.0003416700000000, 0.0001452600000000, 0.0002232600000000 ] - [ 0.0003041200000000, 0.0001723700000000, 0.0001682800000000 ] - [ -0.0000151700000000, -0.0004913600000000, 0.0001246000000000 ] - [ -0.0003621800000000, -0.0000538900000000, 0.0000698800000000 ] - [ -0.0002424900000000, 0.0002645600000000, 0.0000361100000000 ] - [ -0.0003040100000000, 0.0000047600000000, 0.0002379100000000 ] - [ 0.0002391500000000, 0.0001857100000000, -0.0001124800000000 ] - [ 0.0001206300000000, -0.0001874800000000, 0.0001525100000000 ] - [ 0.0000223100000000, 0.0001336700000000, -0.0000487600000000 ] - [ -0.0008048300000000, -0.0001407000000000, -0.0003637100000000 ] - [ 0.0001052100000000, 0.0002658000000000, -0.0004459500000000 ] - [ 0.0003179100000000, -0.0000414900000000, -0.0000722300000000 ] - [ -0.0000156300000000, -0.0000098200000000, 0.0002021200000000 ] - [ 0.0003729000000000, 0.0001532300000000, -0.0002075500000000 ] - [ -0.0004873500000000, 0.0002871500000000, 0.0001513600000000 ] - [ -0.0008432000000000, -0.0001899000000000, 0.0002520400000000 ] - [ 0.0001214800000000, 0.0000600000000000, 0.0001913800000000 ] - [ 0.0002745700000000, -0.0000007500000000, -0.0001972400000000 ] - [ 0.0001590700000000, -0.0000169400000000, 0.0003283200000000 ]- atom: 57 displacement: [ -0.0057565208649526, 0.0000000000000000, 0.0081769473235044 ] forces: - [ -0.0119202200000000, -0.0096741800000000, 0.0124169000000000 ] - [ 0.0044094100000000, -0.0012285300000000, -0.0027868000000000 ] - [ -0.0041665200000000, 0.0005573600000000, 0.0011886500000000 ] - [ 0.0014437500000000, -0.0000176500000000, -0.0018745600000000 ] - [ -0.0004473900000000, -0.0002091400000000, 0.0002623900000000 ] - [ 0.0035611300000000, 0.0025163700000000, 0.0046453500000000 ] - [ -0.0197829900000000, -0.0039104000000000, 0.0070397200000000 ] - [ 0.0027232700000000, 0.0003178000000000, -0.0024673900000000 ] - [ 0.0006523300000000, 0.0004077300000000, -0.0001475500000000 ] - [ 0.0007401300000000, -0.0001468800000000, 0.0001085300000000 ] - [ 0.0010429300000000, 0.0001810700000000, -0.0013653700000000 ] - [ -0.0007208900000000, 0.0000533000000000, 0.0009948200000000 ] - [ 0.0014384200000000, -0.0001692400000000, -0.0013931700000000 ] - [ 0.0015684000000000, 0.0005149700000000, 0.0003496200000000 ] - [ 0.0014788700000000, -0.0000228000000000, 0.0004535200000000 ] - [ 0.0003117400000000, 0.0000125800000000, 0.0005963400000000 ] - [ -0.0005767000000000, -0.0008067100000000, -0.0001845600000000 ] - [ -0.0002921800000000, -0.0001632400000000, -0.0003644900000000 ] - [ 0.0002862800000000, -0.0001358300000000, -0.0001356500000000 ] - [ -0.0003423300000000, -0.0003481700000000, -0.0002898100000000 ] - [ -0.0229199900000000, 0.0030445000000000, 0.0186834100000000 ] - [ 0.0016559600000000, -0.0001811800000000, -0.0009953100000000 ] - [ 0.0007709900000000, -0.0033005900000000, -0.0029976200000000 ] - [ 0.0028511700000000, 0.0000492200000000, 0.0012054300000000 ] - [ 0.0008666900000000, 0.0003308100000000, -0.0017630600000000 ] - [ -0.0062393700000000, -0.0020942100000000, -0.0056535200000000 ] - [ -0.0003574900000000, -0.0006754600000000, 0.0008206500000000 ] - [ 0.0028112000000000, 0.0012523200000000, -0.0025385200000000 ] - [ 0.0008567300000000, 0.0002537900000000, -0.0034412400000000 ] - [ -0.0014295800000000, 0.0001822400000000, -0.0005904900000000 ] - [ 0.0009496300000000, -0.0007856400000000, 0.0002603500000000 ] - [ 0.0011920000000000, -0.0003155900000000, 0.0019397500000000 ] - [ 0.0008339400000000, 0.0002138600000000, 0.0004481200000000 ] - [ 0.0018426000000000, 0.0001645900000000, 0.0011258300000000 ] - [ -0.0013598300000000, 0.0005489500000000, 0.0004465500000000 ] - [ 0.0007614300000000, -0.0004457200000000, -0.0006561000000000 ] - [ 0.0012288400000000, -0.0003798800000000, -0.0008239400000000 ] - [ 0.0004634700000000, 0.0006228600000000, -0.0000967600000000 ] - [ -0.0001960600000000, 0.0000251900000000, -0.0004103800000000 ] - [ -0.0000814900000000, 0.0000208800000000, -0.0014144300000000 ] - [ 0.0003617500000000, -0.0000480200000000, 0.0003244100000000 ] - [ 0.0000514100000000, -0.0003153300000000, 0.0005363400000000 ] - [ -0.0000290800000000, -0.0005131200000000, 0.0001572400000000 ] - [ 0.0004667000000000, -0.0008192600000000, 0.0048184300000000 ] - [ -0.0005726300000000, -0.0001912600000000, 0.0009941900000000 ] - [ 0.0013379200000000, 0.0001702700000000, -0.0009790100000000 ] - [ -0.0003020400000000, 0.0000912200000000, 0.0002273400000000 ] - [ -0.0000907300000000, -0.0003836900000000, 0.0002928000000000 ] - [ 0.0006096700000000, -0.0003066200000000, -0.0000999800000000 ] - [ 0.0000579100000000, -0.0002426100000000, 0.0002792300000000 ] - [ -0.0001405800000000, -0.0002399300000000, -0.0001803700000000 ] - [ -0.0001527900000000, 0.0000824300000000, 0.0003299200000000 ] - [ -0.0054533200000000, 0.0015872500000000, -0.0072086200000000 ] - [ -0.0016572200000000, -0.0004746800000000, 0.0003603600000000 ] - [ 0.0055906700000000, -0.0006584700000000, 0.0016693900000000 ] - [ -0.0002577000000000, 0.0002774300000000, 0.0007749800000000 ] - [ 0.0783306600000000, 0.0190389800000000, -0.0278873900000000 ] - [ -0.0010448800000000, 0.0018540300000000, -0.0013107500000000 ] - [ -0.0037813100000000, 0.0018074100000000, 0.0022715100000000 ] - [ 0.0027111200000000, -0.0016843200000000, -0.0044912800000000 ] - [ -0.0002605900000000, -0.0003930700000000, 0.0012233600000000 ] - [ -0.0042925300000000, -0.0023888500000000, -0.0050321700000000 ] - [ -0.0011077500000000, -0.0001172900000000, 0.0012624300000000 ] - [ -0.0026366000000000, 0.0001271400000000, 0.0036934700000000 ] - [ -0.0005386500000000, -0.0000923500000000, -0.0006089000000000 ] - [ -0.0011580900000000, -0.0003053100000000, 0.0008068200000000 ] - [ 0.0006600900000000, 0.0004031500000000, 0.0001288600000000 ] - [ 0.0051093600000000, 0.0002606500000000, 0.0010260100000000 ] - [ 0.0016984300000000, 0.0000905600000000, 0.0009359000000000 ] - [ 0.0000892000000000, 0.0009425800000000, -0.0015156500000000 ] - [ -0.0007495800000000, -0.0002030800000000, 0.0010304300000000 ] - [ 0.0001544400000000, 0.0001197200000000, -0.0002738500000000 ] - [ -0.0003405900000000, -0.0009056400000000, -0.0014187300000000 ] - [ -0.0220596100000000, -0.0025735300000000, -0.0076702400000000 ] - [ -0.0008993600000000, -0.0004560800000000, 0.0012337500000000 ] - [ -0.0007390800000000, -0.0004261500000000, 0.0004192300000000 ] - [ -0.0015818700000000, 0.0000134400000000, -0.0009040600000000 ] - [ 0.0004141900000000, 0.0000290100000000, 0.0000042500000000 ] - [ -0.0000758400000000, -0.0001894500000000, 0.0000336900000000 ] - [ 0.0006836300000000, -0.0002809900000000, -0.0006660300000000 ] - [ 0.0027000800000000, -0.0013503300000000, -0.0013632800000000 ] - [ -0.0012015100000000, 0.0014036000000000, 0.0110793100000000 ] - [ -0.0001865400000000, 0.0003797800000000, 0.0000408800000000 ] - [ -0.0003753800000000, 0.0001769900000000, -0.0008211400000000 ] - [ -0.0004424600000000, 0.0003842300000000, 0.0007084200000000 ] - [ 0.0002899200000000, -0.0001480600000000, 0.0000643100000000 ] - [ -0.0007956900000000, 0.0000539800000000, -0.0004212600000000 ] - [ -0.0009587000000000, 0.0002851500000000, 0.0008556900000000 ] - [ -0.0002231600000000, -0.0005254000000000, -0.0001984100000000 ] - [ 0.0000096600000000, 0.0001581200000000, 0.0001287800000000 ] - [ 0.0005271900000000, -0.0002525000000000, -0.0000675500000000 ] - [ -0.0012285400000000, 0.0003475700000000, 0.0001006000000000 ] - [ 0.0000276200000000, 0.0001611700000000, -0.0002687600000000 ] - [ -0.0006448300000000, 0.0000682300000000, 0.0002135300000000 ] - [ -0.0009621900000000, -0.0000226100000000, -0.0000638200000000 ] - [ -0.0003408000000000, -0.0004684900000000, -0.0002872200000000 ] - [ -0.0003448300000000, -0.0001833500000000, 0.0007103200000000 ] - [ -0.0006357100000000, 0.0002113000000000, 0.0002358900000000 ] - [ -0.0005964600000000, -0.0003376600000000, 0.0009260200000000 ] - [ -0.0005680000000000, -0.0000718000000000, 0.0001944400000000 ] - [ -0.0002479300000000, -0.0001865300000000, -0.0002007900000000 ] - [ -0.0008137900000000, 0.0006212100000000, 0.0004079000000000 ] - [ -0.0012263400000000, 0.0004152900000000, 0.0005274500000000 ] - [ -0.0005098800000000, 0.0000316300000000, -0.0003803800000000 ] - [ -0.0003487600000000, 0.0001150900000000, -0.0001405700000000 ] - [ 0.0000624900000000, 0.0000869400000000, -0.0002520800000000 ] - [ -0.0008917500000000, -0.0002235400000000, -0.0009038600000000 ] - [ -0.0006853500000000, 0.0004703500000000, 0.0009418900000000 ] - [ -0.0018751300000000, -0.0008373100000000, 0.0018418400000000 ] - [ -0.0008385700000000, 0.0002593900000000, 0.0012344900000000 ] - [ -0.0004741900000000, 0.0000491400000000, -0.0001907400000000 ] - [ -0.0005134900000000, -0.0000171200000000, 0.0001655500000000 ]- atom: 57 displacement: [ 0.0057565208649526, 0.0000000000000000, -0.0081769473235044 ] forces: - [ 0.0118378500000000, 0.0099986000000000, -0.0121237100000000 ] - [ -0.0049080600000000, 0.0010781200000000, 0.0021215700000000 ] - [ 0.0039312500000000, 0.0000377900000000, -0.0024261800000000 ] - [ -0.0016753100000000, 0.0000867500000000, 0.0023096200000000 ] - [ 0.0004377900000000, -0.0002438700000000, -0.0002757300000000 ] - [ -0.0033440500000000, -0.0019020800000000, -0.0034011100000000 ] - [ 0.0206306100000000, 0.0038688600000000, -0.0060951200000000 ] - [ -0.0024997400000000, -0.0002520100000000, 0.0020542100000000 ] - [ -0.0006584400000000, 0.0004631200000000, 0.0001474800000000 ] - [ -0.0012713700000000, 0.0000033200000000, -0.0008187400000000 ] - [ -0.0012814900000000, 0.0004162000000000, 0.0001464300000000 ] - [ 0.0004808500000000, 0.0000139600000000, -0.0005795900000000 ] - [ -0.0014396900000000, -0.0002837500000000, 0.0013981800000000 ] - [ -0.0013436200000000, 0.0000825800000000, 0.0008770900000000 ] - [ -0.0009689200000000, -0.0001201800000000, 0.0002532200000000 ] - [ -0.0000972600000000, 0.0000596500000000, -0.0010279900000000 ] - [ 0.0010795200000000, 0.0004107300000000, 0.0002797300000000 ] - [ -0.0002033300000000, -0.0003119000000000, 0.0002652400000000 ] - [ 0.0002056100000000, -0.0002685000000000, 0.0002324100000000 ] - [ -0.0001501800000000, -0.0001264600000000, 0.0001920300000000 ] - [ 0.0231711500000000, -0.0043648000000000, -0.0178217700000000 ] - [ -0.0022843600000000, 0.0002306000000000, 0.0004399000000000 ] - [ -0.0000502200000000, 0.0035196900000000, 0.0040099100000000 ] - [ -0.0022443000000000, -0.0000029000000000, -0.0006405400000000 ] - [ -0.0019400200000000, 0.0008160800000000, 0.0018013700000000 ] - [ 0.0063974300000000, 0.0009131600000000, 0.0048972500000000 ] - [ 0.0009967500000000, 0.0001681400000000, -0.0009359200000000 ] - [ -0.0017523100000000, -0.0001116400000000, 0.0025142000000000 ] - [ -0.0015471700000000, -0.0000451900000000, 0.0024242400000000 ] - [ 0.0007591200000000, -0.0006521000000000, 0.0006341100000000 ] - [ -0.0011518400000000, -0.0003915000000000, 0.0004950700000000 ] - [ -0.0018268800000000, 0.0003621500000000, -0.0025184100000000 ] - [ -0.0001459300000000, -0.0000112100000000, 0.0005676800000000 ] - [ -0.0012370000000000, -0.0001188200000000, -0.0005410200000000 ] - [ 0.0002915500000000, 0.0005964900000000, -0.0004246400000000 ] - [ -0.0005716200000000, -0.0007327500000000, -0.0001006100000000 ] - [ -0.0005703100000000, -0.0000929300000000, 0.0007693100000000 ] - [ 0.0006034800000000, 0.0005267700000000, 0.0000544800000000 ] - [ -0.0005051100000000, 0.0001802100000000, -0.0006117600000000 ] - [ -0.0005776000000000, -0.0004947100000000, 0.0014783300000000 ] - [ -0.0006716900000000, 0.0002010000000000, -0.0004833600000000 ] - [ -0.0003101000000000, -0.0004751000000000, -0.0002268100000000 ] - [ 0.0002737900000000, -0.0002840500000000, -0.0004632000000000 ] - [ -0.0000641900000000, 0.0003871700000000, -0.0045925700000000 ] - [ 0.0001600200000000, -0.0002390600000000, -0.0013099100000000 ] - [ -0.0010239500000000, -0.0000044600000000, 0.0011419200000000 ] - [ -0.0000117800000000, 0.0000643700000000, -0.0003799500000000 ] - [ -0.0001513900000000, -0.0004089400000000, 0.0000198800000000 ] - [ -0.0003602300000000, -0.0004909600000000, -0.0002008500000000 ] - [ 0.0003539200000000, -0.0001883400000000, 0.0000414400000000 ] - [ -0.0002636000000000, -0.0001948200000000, -0.0001302200000000 ] - [ 0.0004636700000000, 0.0000689300000000, -0.0001714800000000 ] - [ 0.0059257100000000, -0.0009965100000000, 0.0070465900000000 ] - [ 0.0021038800000000, 0.0008749700000000, -0.0015793900000000 ] - [ -0.0055708300000000, 0.0011293000000000, -0.0007032000000000 ] - [ 0.0007469400000000, -0.0004168200000000, -0.0004532900000000 ] - [ -0.0788684400000000, -0.0183765000000000, 0.0267376200000000 ] - [ 0.0006157400000000, -0.0014632600000000, 0.0025184500000000 ] - [ 0.0042138500000000, -0.0027200000000000, -0.0022786800000000 ] - [ -0.0019374800000000, 0.0019300000000000, 0.0042322700000000 ] - [ 0.0008041700000000, -0.0000719600000000, -0.0009972800000000 ] - [ 0.0039396600000000, 0.0026356000000000, 0.0055933900000000 ] - [ 0.0012272600000000, 0.0003007100000000, -0.0012273800000000 ] - [ 0.0018273400000000, 0.0001189300000000, -0.0034155000000000 ] - [ 0.0014508000000000, 0.0000817700000000, 0.0006285200000000 ] - [ 0.0007680600000000, -0.0005713100000000, -0.0008256300000000 ] - [ -0.0006247900000000, -0.0001194100000000, 0.0000357700000000 ] - [ -0.0056060300000000, 0.0003094400000000, -0.0009329900000000 ] - [ -0.0020383500000000, -0.0002255500000000, -0.0002226500000000 ] - [ 0.0003229600000000, -0.0004782100000000, 0.0010965500000000 ] - [ 0.0002035500000000, -0.0002624100000000, -0.0012623100000000 ] - [ -0.0001660900000000, 0.0001591400000000, 0.0001300700000000 ] - [ -0.0005570600000000, 0.0008983800000000, 0.0014016700000000 ] - [ 0.0217784000000000, 0.0029483100000000, 0.0066072600000000 ] - [ 0.0007766900000000, 0.0006482200000000, -0.0012833400000000 ] - [ 0.0002478000000000, 0.0002876300000000, -0.0007452100000000 ] - [ 0.0019636700000000, 0.0002213800000000, 0.0003517500000000 ] - [ -0.0008142700000000, 0.0004267100000000, 0.0004220100000000 ] - [ -0.0006401600000000, 0.0000076400000000, 0.0001395100000000 ] - [ 0.0000380800000000, 0.0001060400000000, 0.0005116600000000 ] - [ -0.0022657600000000, 0.0012113700000000, 0.0006933900000000 ] - [ 0.0012452500000000, -0.0014022200000000, -0.0103776000000000 ] - [ 0.0007097600000000, 0.0001970800000000, -0.0001268600000000 ] - [ 0.0008167900000000, 0.0002235300000000, -0.0003821200000000 ] - [ 0.0004615700000000, 0.0000872600000000, 0.0002752700000000 ] - [ 0.0002081600000000, 0.0000067000000000, 0.0002646600000000 ] - [ 0.0006993700000000, -0.0000677500000000, -0.0001100000000000 ] - [ 0.0005286800000000, 0.0001116400000000, 0.0003416600000000 ] - [ 0.0006132200000000, -0.0003499400000000, 0.0002157300000000 ] - [ 0.0008008800000000, 0.0000886700000000, -0.0004202800000000 ] - [ 0.0000183300000000, -0.0002138000000000, 0.0003024200000000 ] - [ 0.0008525500000000, -0.0001147000000000, 0.0004380200000000 ] - [ 0.0000957700000000, 0.0000245500000000, 0.0003130300000000 ] - [ -0.0001600900000000, 0.0001793000000000, 0.0000770400000000 ] - [ 0.0018691600000000, 0.0000138400000000, 0.0000884300000000 ] - [ -0.0000395000000000, -0.0004094400000000, 0.0002751400000000 ] - [ 0.0003718100000000, 0.0004657400000000, -0.0005548300000000 ] - [ 0.0001173100000000, 0.0003656100000000, -0.0001494200000000 ] - [ 0.0002504300000000, 0.0002078900000000, -0.0002257700000000 ] - [ 0.0009743700000000, 0.0005278300000000, -0.0006174100000000 ] - [ -0.0002902000000000, -0.0002793500000000, -0.0000238000000000 ] - [ 0.0007874700000000, -0.0003401800000000, -0.0005682600000000 ] - [ 0.0003240000000000, -0.0004300100000000, -0.0005578100000000 ] - [ 0.0004968500000000, 0.0004416100000000, -0.0006040000000000 ] - [ 0.0002342700000000, 0.0000680700000000, 0.0001000900000000 ] - [ -0.0005510700000000, -0.0002254400000000, -0.0000661700000000 ] - [ 0.0012781800000000, 0.0004581800000000, 0.0003662500000000 ] - [ 0.0002817300000000, -0.0000153700000000, -0.0005251500000000 ] - [ 0.0011645400000000, 0.0006623400000000, -0.0016845300000000 ] - [ 0.0015587700000000, -0.0004397600000000, -0.0014047600000000 ] - [ 0.0008243500000000, -0.0001812700000000, -0.0005132600000000 ] - [ 0.0006207300000000, 0.0000043800000000, 0.0003695300000000 ]- atom: 59 displacement: [ 0.0099999987502926, 0.0000000000000000, -0.0000049994145799 ] forces: - [ -0.0021654300000000, 0.0013897500000000, 0.0064463300000000 ] - [ -0.0012097300000000, -0.0000625100000000, 0.0013692700000000 ] - [ 0.0030116300000000, 0.0011595100000000, -0.0017648600000000 ] - [ 0.0006861700000000, -0.0001292400000000, 0.0010205000000000 ] - [ -0.0011429100000000, -0.0002912700000000, -0.0007110100000000 ] - [ -0.0021833300000000, 0.0002233200000000, 0.0011241100000000 ] - [ 0.0157255600000000, -0.0062467900000000, 0.0003974200000000 ] - [ 0.0053678800000000, -0.0061784700000000, 0.0064744100000000 ] - [ -0.0015130500000000, 0.0005214600000000, -0.0010146800000000 ] - [ -0.0031962700000000, 0.0006279700000000, -0.0033404000000000 ] - [ -0.0007704800000000, 0.0002984300000000, -0.0009259600000000 ] - [ -0.0006507200000000, -0.0000207000000000, -0.0015093400000000 ] - [ 0.0030148000000000, 0.0006114900000000, 0.0021621100000000 ] - [ -0.0047033500000000, -0.0011423200000000, 0.0005453900000000 ] - [ -0.0014421300000000, -0.0001537800000000, -0.0001299300000000 ] - [ -0.0015231000000000, 0.0001984600000000, -0.0005289100000000 ] - [ -0.0003621500000000, -0.0008007400000000, -0.0007281100000000 ] - [ -0.0002610400000000, -0.0003423500000000, 0.0001952200000000 ] - [ 0.0000586800000000, -0.0003467400000000, 0.0003030700000000 ] - [ -0.0005114900000000, -0.0002711200000000, -0.0006514800000000 ] - [ -0.0058071100000000, -0.0004843900000000, 0.0000393300000000 ] - [ -0.0010490300000000, 0.0001482600000000, 0.0001381500000000 ] - [ 0.0839973400000000, 0.0709419500000000, 0.0311049700000000 ] - [ -0.0084777700000000, 0.0036452800000000, -0.0144178600000000 ] - [ -0.0014912500000000, 0.0013782500000000, 0.0030856400000000 ] - [ 0.0015147400000000, -0.0007487100000000, 0.0015808900000000 ] - [ -0.0017205500000000, -0.0004444000000000, -0.0012095200000000 ] - [ 0.0054385900000000, -0.0005090700000000, -0.0029042200000000 ] - [ -0.0005061200000000, 0.0000631900000000, 0.0011605400000000 ] - [ -0.0001615200000000, -0.0005311800000000, -0.0002263200000000 ] - [ -0.0028497000000000, -0.0000919400000000, 0.0002157300000000 ] - [ 0.0014789500000000, -0.0015284000000000, -0.0032609100000000 ] - [ -0.0008330800000000, -0.0000204000000000, 0.0005852100000000 ] - [ -0.0011117700000000, -0.0000711000000000, 0.0003885100000000 ] - [ -0.0016263600000000, 0.0002490000000000, -0.0012501800000000 ] - [ -0.0011848900000000, -0.0007446400000000, -0.0015849400000000 ] - [ -0.0017523100000000, 0.0003294300000000, 0.0017119900000000 ] - [ -0.0004138600000000, 0.0006356600000000, -0.0000265300000000 ] - [ -0.0012377900000000, 0.0003418400000000, -0.0020687600000000 ] - [ 0.0000915600000000, 0.0002317700000000, -0.0008040700000000 ] - [ -0.0004289400000000, 0.0002429700000000, -0.0004040100000000 ] - [ -0.0002916100000000, 0.0001390100000000, 0.0011466000000000 ] - [ 0.0003901500000000, -0.0003224000000000, -0.0005837600000000 ] - [ 0.0025081400000000, 0.0004353600000000, 0.0055431100000000 ] - [ 0.0000215100000000, -0.0001923000000000, -0.0010418000000000 ] - [ 0.0013392900000000, 0.0000248200000000, 0.0000505400000000 ] - [ -0.0000493300000000, 0.0000627100000000, 0.0004174000000000 ] - [ 0.0000696200000000, -0.0004869000000000, 0.0000327100000000 ] - [ 0.0006580900000000, -0.0002701200000000, 0.0003404500000000 ] - [ 0.0007138300000000, -0.0000928300000000, -0.0001288700000000 ] - [ -0.0000136300000000, -0.0003339400000000, 0.0004663400000000 ] - [ 0.0009622000000000, 0.0001100400000000, -0.0003819600000000 ] - [ 0.0019486900000000, -0.0002662600000000, -0.0010437400000000 ] - [ 0.0009282400000000, 0.0002627500000000, -0.0012601300000000 ] - [ -0.0015216800000000, 0.0004487700000000, -0.0005651500000000 ] - [ -0.0032525700000000, 0.0010917400000000, -0.0022298000000000 ] - [ 0.0038542800000000, -0.0008802900000000, -0.0023847300000000 ] - [ -0.0039761500000000, 0.0014667400000000, 0.0066474600000000 ] - [ -0.0997032500000000, -0.0863634900000000, -0.0255794800000000 ] - [ 0.0044139800000000, 0.0065835400000000, -0.0065518600000000 ] - [ -0.0002316200000000, 0.0000785200000000, -0.0012451200000000 ] - [ -0.0040254300000000, -0.0005233500000000, 0.0001569700000000 ] - [ 0.0002436500000000, 0.0000323500000000, -0.0006648900000000 ] - [ 0.0002352900000000, 0.0002540200000000, -0.0015940100000000 ] - [ 0.0013303800000000, 0.0001073600000000, 0.0000818800000000 ] - [ -0.0001909400000000, -0.0003621000000000, -0.0005010300000000 ] - [ 0.0001868600000000, 0.0001425500000000, 0.0004516800000000 ] - [ -0.0014120500000000, 0.0010351800000000, -0.0018411300000000 ] - [ -0.0011341500000000, -0.0003804000000000, 0.0003757900000000 ] - [ 0.0011168900000000, 0.0003453400000000, 0.0000084900000000 ] - [ -0.0049980300000000, 0.0019015000000000, 0.0017183700000000 ] - [ 0.0012378200000000, -0.0003196100000000, 0.0003793300000000 ] - [ -0.0009241100000000, 0.0006329700000000, 0.0010144500000000 ] - [ 0.0013574000000000, 0.0008889000000000, -0.0014867400000000 ] - [ -0.0155009200000000, 0.0023022500000000, -0.0036017300000000 ] - [ -0.0009460800000000, -0.0003342800000000, -0.0010981200000000 ] - [ 0.0010092100000000, 0.0003646500000000, -0.0003820200000000 ] - [ -0.0004203100000000, 0.0003293800000000, 0.0007778400000000 ] - [ -0.0000127300000000, 0.0000453700000000, 0.0003231800000000 ] - [ 0.0008519300000000, 0.0001497700000000, 0.0005470500000000 ] - [ 0.0015984000000000, 0.0001341000000000, 0.0003549100000000 ] - [ -0.0005113100000000, -0.0008452400000000, -0.0013099800000000 ] - [ 0.0015973700000000, 0.0000344300000000, 0.0002937600000000 ] - [ 0.0002586100000000, 0.0001726500000000, 0.0017568700000000 ] - [ 0.0006449500000000, 0.0001341500000000, 0.0008871300000000 ] - [ 0.0009233100000000, -0.0003122700000000, 0.0004643200000000 ] - [ 0.0016768200000000, -0.0003519000000000, 0.0004397300000000 ] - [ 0.0004372400000000, -0.0000424700000000, 0.0004383800000000 ] - [ 0.0009289300000000, -0.0002271700000000, 0.0001894300000000 ] - [ 0.0011300700000000, 0.0000985400000000, -0.0004344400000000 ] - [ 0.0009294500000000, -0.0004192700000000, 0.0010154900000000 ] - [ 0.0004331600000000, 0.0001389800000000, 0.0004870300000000 ] - [ 0.0003736200000000, 0.0002855800000000, 0.0011079400000000 ] - [ 0.0000429400000000, 0.0003019200000000, 0.0009365600000000 ] - [ 0.0205976200000000, 0.0092354900000000, 0.0072771000000000 ] - [ 0.0003090200000000, -0.0007176200000000, 0.0010372500000000 ] - [ -0.0005167700000000, -0.0000125200000000, -0.0002129800000000 ] - [ 0.0002758400000000, 0.0001843600000000, 0.0004784100000000 ] - [ 0.0001946700000000, -0.0001879200000000, 0.0007926500000000 ] - [ 0.0015290700000000, 0.0009963800000000, -0.0008818400000000 ] - [ 0.0003017600000000, -0.0001778500000000, 0.0000414400000000 ] - [ 0.0020647700000000, -0.0009988500000000, -0.0031006100000000 ] - [ -0.0002471300000000, -0.0001488700000000, -0.0002569600000000 ] - [ 0.0013667700000000, 0.0010013700000000, -0.0001361900000000 ] - [ 0.0006592700000000, -0.0001409400000000, -0.0000044700000000 ] - [ 0.0004993900000000, 0.0001137700000000, 0.0004850300000000 ] - [ 0.0044214300000000, 0.0022642800000000, 0.0035143500000000 ] - [ -0.0003172900000000, 0.0003762200000000, 0.0004297000000000 ] - [ -0.0020924400000000, -0.0008646200000000, 0.0010636700000000 ] - [ 0.0021858400000000, 0.0001242200000000, -0.0043730000000000 ] - [ 0.0018859500000000, -0.0005034600000000, -0.0008142600000000 ] - [ 0.0015471300000000, 0.0001694700000000, 0.0011332400000000 ]- atom: 59 displacement: [ -0.0099999987502926, 0.0000000000000000, 0.0000049994145799 ] forces: - [ 0.0021619400000000, -0.0005250200000000, -0.0064529900000000 ] - [ 0.0006877000000000, -0.0000811100000000, -0.0020734000000000 ] - [ -0.0032440400000000, -0.0005629000000000, 0.0005508400000000 ] - [ -0.0009175900000000, 0.0001964000000000, -0.0005972200000000 ] - [ 0.0011404300000000, -0.0001559400000000, 0.0007110700000000 ] - [ 0.0024156700000000, 0.0003760700000000, 0.0001065800000000 ] - [ -0.0151697800000000, 0.0061718000000000, 0.0003921300000000 ] - [ -0.0049127600000000, 0.0064493100000000, -0.0070554300000000 ] - [ 0.0015083500000000, 0.0003454100000000, 0.0010112600000000 ] - [ 0.0026625900000000, -0.0007645300000000, 0.0026186700000000 ] - [ 0.0005342300000000, 0.0003012600000000, -0.0003015600000000 ] - [ 0.0004174300000000, 0.0000882400000000, 0.0019280500000000 ] - [ -0.0030002000000000, -0.0010629400000000, -0.0021555500000000 ] - [ 0.0049316400000000, 0.0017429000000000, 0.0006866200000000 ] - [ 0.0019589500000000, 0.0000094600000000, 0.0008346200000000 ] - [ 0.0017547900000000, -0.0001305900000000, 0.0001089200000000 ] - [ 0.0008693000000000, 0.0003943400000000, 0.0008419500000000 ] - [ -0.0002342500000000, -0.0001338300000000, -0.0003016300000000 ] - [ 0.0004316700000000, -0.0000609600000000, -0.0001944100000000 ] - [ 0.0000180200000000, -0.0002024000000000, 0.0005474300000000 ] - [ 0.0056226000000000, -0.0006914700000000, 0.0007274800000000 ] - [ 0.0004245400000000, -0.0000986800000000, -0.0007074900000000 ] - [ -0.0848091400000000, -0.0738878500000000, -0.0313094100000000 ] - [ 0.0091347100000000, -0.0037014900000000, 0.0149074100000000 ] - [ 0.0004154900000000, -0.0002277200000000, -0.0030333000000000 ] - [ -0.0013271700000000, -0.0004313600000000, -0.0023260600000000 ] - [ 0.0023807200000000, -0.0000275300000000, 0.0011550900000000 ] - [ -0.0043697200000000, 0.0016710300000000, 0.0028608600000000 ] - [ -0.0001917400000000, 0.0001395700000000, -0.0021726600000000 ] - [ -0.0005016300000000, 0.0000584300000000, 0.0002851500000000 ] - [ 0.0026470400000000, -0.0010839500000000, 0.0005385000000000 ] - [ -0.0020755800000000, 0.0015730900000000, 0.0026833600000000 ] - [ 0.0015267000000000, 0.0002237500000000, 0.0004325900000000 ] - [ 0.0017331800000000, 0.0001198100000000, 0.0001821400000000 ] - [ 0.0005498300000000, 0.0008971900000000, 0.0012870500000000 ] - [ 0.0013766400000000, -0.0004339300000000, 0.0008249300000000 ] - [ 0.0024085400000000, -0.0007981100000000, -0.0017689600000000 ] - [ 0.0014825400000000, 0.0005105100000000, -0.0000109200000000 ] - [ 0.0005397400000000, -0.0001388600000000, 0.0010459100000000 ] - [ -0.0007529100000000, -0.0007028300000000, 0.0008566100000000 ] - [ 0.0001251400000000, -0.0000909100000000, 0.0002305300000000 ] - [ 0.0000571300000000, -0.0009272900000000, -0.0008269600000000 ] - [ -0.0001562500000000, -0.0004763200000000, 0.0002763200000000 ] - [ -0.0021319000000000, -0.0008442700000000, -0.0052738900000000 ] - [ -0.0004379000000000, -0.0002346300000000, 0.0007116300000000 ] - [ -0.0010228700000000, 0.0001348300000000, 0.0001082300000000 ] - [ -0.0002572300000000, 0.0000922500000000, -0.0005856900000000 ] - [ -0.0002990400000000, -0.0003060100000000, 0.0002795300000000 ] - [ -0.0004201800000000, -0.0005344600000000, -0.0006421300000000 ] - [ -0.0002967600000000, -0.0003369400000000, 0.0004502600000000 ] - [ -0.0004049300000000, -0.0000939900000000, -0.0007896000000000 ] - [ -0.0006513900000000, 0.0000438400000000, 0.0005458300000000 ] - [ -0.0014309900000000, 0.0008467300000000, 0.0009586100000000 ] - [ -0.0004907600000000, 0.0001364300000000, 0.0000568300000000 ] - [ 0.0015421100000000, 0.0000258100000000, 0.0015378300000000 ] - [ 0.0037363600000000, -0.0012402900000000, 0.0025737700000000 ] - [ -0.0039796800000000, 0.0008879300000000, 0.0018780400000000 ] - [ 0.0034793200000000, -0.0010551900000000, -0.0054659500000000 ] - [ 0.1009863900000000, 0.0882778000000000, 0.0267392700000000 ] - [ -0.0036515300000000, -0.0064548800000000, 0.0063131200000000 ] - [ 0.0007727100000000, -0.0005433300000000, 0.0014682300000000 ] - [ 0.0036143900000000, 0.0007514800000000, 0.0003784700000000 ] - [ -0.0001216800000000, 0.0001506000000000, 0.0007023400000000 ] - [ -0.0010408900000000, -0.0000065900000000, 0.0018811900000000 ] - [ -0.0004274900000000, -0.0001196800000000, -0.0000560500000000 ] - [ -0.0001919800000000, -0.0005127000000000, 0.0004827700000000 ] - [ -0.0001522000000000, 0.0001400000000000, -0.0002922900000000 ] - [ 0.0009048900000000, -0.0004617600000000, 0.0019139500000000 ] - [ 0.0007874800000000, 0.0002498400000000, 0.0003214400000000 ] - [ -0.0007145600000000, 0.0001092100000000, -0.0004275900000000 ] - [ 0.0044598500000000, -0.0023739400000000, -0.0019597400000000 ] - [ -0.0012695300000000, 0.0006011400000000, -0.0005386500000000 ] - [ 0.0000182200000000, -0.0006435300000000, -0.0010400300000000 ] - [ -0.0013717700000000, -0.0004184000000000, 0.0005021800000000 ] - [ 0.0154691200000000, -0.0021084600000000, 0.0036631200000000 ] - [ 0.0004518700000000, 0.0001942600000000, 0.0007693100000000 ] - [ -0.0006296500000000, -0.0001327400000000, -0.0001616100000000 ] - [ 0.0000191600000000, 0.0001237100000000, -0.0003609200000000 ] - [ -0.0007011300000000, -0.0002238500000000, -0.0001553200000000 ] - [ -0.0001337000000000, -0.0003288400000000, -0.0007172900000000 ] - [ -0.0012515300000000, -0.0002672300000000, -0.0010545500000000 ] - [ 0.0006167400000000, 0.0008317500000000, 0.0018425500000000 ] - [ -0.0010721800000000, 0.0005425200000000, -0.0003767000000000 ] - [ 0.0001747200000000, 0.0002242100000000, -0.0029440800000000 ] - [ -0.0006289100000000, 0.0003380400000000, 0.0000971400000000 ] - [ -0.0004296200000000, 0.0001721200000000, -0.0001389200000000 ] - [ -0.0017724800000000, 0.0003368600000000, -0.0009686100000000 ] - [ -0.0008717800000000, 0.0004408900000000, 0.0007637900000000 ] - [ -0.0005434100000000, -0.0006473400000000, -0.0001719700000000 ] - [ -0.0003197400000000, 0.0001491300000000, 0.0001436700000000 ] - [ -0.0003841400000000, -0.0000471400000000, -0.0007853100000000 ] - [ -0.0008091000000000, 0.0000926400000000, 0.0000572000000000 ] - [ -0.0002523000000000, -0.0001016700000000, -0.0010639400000000 ] - [ -0.0008494400000000, -0.0000536000000000, -0.0006423900000000 ] - [ -0.0194093400000000, -0.0090327800000000, -0.0071336600000000 ] - [ -0.0006925000000000, -0.0001587900000000, -0.0010505500000000 ] - [ 0.0005496800000000, 0.0002943100000000, 0.0003722200000000 ] - [ -0.0007940900000000, 0.0003928800000000, -0.0003924400000000 ] - [ -0.0005386500000000, 0.0000541500000000, -0.0000920100000000 ] - [ -0.0011285900000000, -0.0005496200000000, 0.0004607000000000 ] - [ -0.0008426000000000, -0.0002880300000000, -0.0002693400000000 ] - [ -0.0020817900000000, 0.0012745400000000, 0.0029230400000000 ] - [ -0.0006531400000000, 0.0001363600000000, 0.0002307900000000 ] - [ -0.0013779600000000, -0.0005287900000000, -0.0008454400000000 ] - [ -0.0007779800000000, 0.0003233900000000, -0.0000349000000000 ] - [ -0.0009879800000000, -0.0002521200000000, -0.0008095600000000 ] - [ -0.0040015600000000, -0.0019860300000000, -0.0040193800000000 ] - [ -0.0000831500000000, 0.0000790400000000, -0.0000106500000000 ] - [ 0.0013745500000000, 0.0006828500000000, -0.0008926800000000 ] - [ -0.0014525800000000, -0.0003015200000000, 0.0041807000000000 ] - [ -0.0015355800000000, 0.0003701000000000, 0.0001112300000000 ] - [ -0.0014401900000000, -0.0001826000000000, -0.0005992900000000 ]- atom: 59 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0019251400000000, 0.0029136300000000, 0.0045254000000000 ] - [ -0.0003047900000000, -0.0001486900000000, 0.0002386300000000 ] - [ 0.0003081700000000, 0.0001793800000000, -0.0010150400000000 ] - [ 0.0003137500000000, 0.0000001400000000, 0.0005238100000000 ] - [ -0.0004648800000000, -0.0002371500000000, -0.0002720500000000 ] - [ -0.0006195800000000, 0.0003066200000000, 0.0010120800000000 ] - [ 0.0003596600000000, -0.0005285500000000, 0.0065394500000000 ] - [ -0.0008057900000000, -0.0032317700000000, 0.0024681000000000 ] - [ -0.0003583200000000, 0.0004653200000000, -0.0003541600000000 ] - [ -0.0004157200000000, -0.0003336700000000, -0.0006053500000000 ] - [ -0.0001957000000000, 0.0002845000000000, -0.0007213900000000 ] - [ -0.0005470800000000, -0.0000329900000000, -0.0003077400000000 ] - [ 0.0011713300000000, 0.0001100500000000, 0.0001990500000000 ] - [ -0.0013832600000000, -0.0000800600000000, -0.0002379700000000 ] - [ -0.0001504400000000, -0.0000855600000000, 0.0001877500000000 ] - [ -0.0004243100000000, 0.0000761500000000, -0.0003118600000000 ] - [ 0.0003638500000000, -0.0000936700000000, -0.0000441400000000 ] - [ -0.0002344100000000, -0.0002859700000000, -0.0000377700000000 ] - [ 0.0001806800000000, -0.0002381000000000, 0.0000733000000000 ] - [ -0.0003745500000000, -0.0003181000000000, -0.0002457100000000 ] - [ -0.0000515900000000, -0.0026317500000000, 0.0009547900000000 ] - [ -0.0004183000000000, 0.0000624200000000, -0.0001263500000000 ] - [ 0.0797343100000000, 0.1089802900000000, 0.0442393800000000 ] - [ -0.0006183400000000, 0.0080377300000000, -0.0005892700000000 ] - [ -0.0009568400000000, 0.0011654600000000, 0.0012738900000000 ] - [ 0.0011603700000000, -0.0000889200000000, -0.0008121100000000 ] - [ -0.0003965800000000, -0.0001026100000000, -0.0002278500000000 ] - [ 0.0016055300000000, -0.0010791100000000, -0.0004461100000000 ] - [ -0.0003254600000000, 0.0001034600000000, 0.0000401000000000 ] - [ -0.0005190400000000, -0.0002461500000000, -0.0002855700000000 ] - [ -0.0007673100000000, -0.0005253600000000, 0.0002640600000000 ] - [ -0.0016816600000000, 0.0005247900000000, -0.0012992800000000 ] - [ 0.0000190000000000, 0.0000646800000000, 0.0004553200000000 ] - [ -0.0000450200000000, -0.0000023800000000, 0.0003317500000000 ] - [ -0.0009907600000000, 0.0004674900000000, -0.0003643600000000 ] - [ -0.0001425800000000, -0.0006011000000000, -0.0007207300000000 ] - [ -0.0000647800000000, -0.0007462000000000, 0.0002304800000000 ] - [ 0.0002316900000000, 0.0006230500000000, -0.0001414700000000 ] - [ -0.0006332900000000, 0.0002080000000000, -0.0008664300000000 ] - [ -0.0000230200000000, -0.0000711400000000, -0.0002079000000000 ] - [ -0.0002225200000000, 0.0001341700000000, -0.0000145000000000 ] - [ -0.0001894400000000, 0.0000160300000000, 0.0006951000000000 ] - [ 0.0001943000000000, -0.0003753300000000, -0.0002282700000000 ] - [ -0.0018950200000000, 0.0033355400000000, -0.0003605400000000 ] - [ -0.0001555600000000, -0.0002114200000000, -0.0004417000000000 ] - [ 0.0009963300000000, -0.0001572100000000, -0.0000265800000000 ] - [ -0.0001499700000000, 0.0000783400000000, 0.0000953200000000 ] - [ -0.0000540500000000, -0.0004169100000000, 0.0001574200000000 ] - [ 0.0000981700000000, -0.0002568600000000, -0.0001851800000000 ] - [ 0.0003388600000000, -0.0001762100000000, 0.0001330700000000 ] - [ -0.0001176000000000, -0.0002483800000000, 0.0000185000000000 ] - [ 0.0003433200000000, 0.0001021000000000, -0.0000088000000000 ] - [ 0.0010372200000000, 0.0008146400000000, -0.0003326500000000 ] - [ 0.0003614400000000, 0.0001808700000000, -0.0008107000000000 ] - [ -0.0006794500000000, -0.0004121400000000, 0.0006058100000000 ] - [ -0.0010091000000000, 0.0001703600000000, -0.0015195600000000 ] - [ -0.0041868400000000, 0.0002315100000000, -0.0004067300000000 ] - [ -0.0000841300000000, -0.0021246600000000, 0.0021011500000000 ] - [ -0.0849186100000000, -0.1656577000000000, -0.0459043500000000 ] - [ 0.0061912300000000, 0.0054969900000000, -0.0122349300000000 ] - [ 0.0000637200000000, -0.0001048800000000, -0.0005081500000000 ] - [ 0.0026242000000000, 0.0010412200000000, 0.0019859200000000 ] - [ 0.0000726700000000, 0.0000572500000000, -0.0002177100000000 ] - [ -0.0002492900000000, 0.0002805200000000, -0.0005603200000000 ] - [ 0.0006822600000000, 0.0000444200000000, 0.0000191000000000 ] - [ -0.0002696100000000, -0.0003965900000000, -0.0001736700000000 ] - [ 0.0002207700000000, 0.0002004400000000, 0.0002541700000000 ] - [ -0.0024156700000000, 0.0021277300000000, 0.0011980300000000 ] - [ -0.0003215800000000, -0.0002561600000000, 0.0006060400000000 ] - [ 0.0005417200000000, 0.0002376600000000, -0.0001884300000000 ] - [ -0.0020277400000000, 0.0015857100000000, 0.0012787500000000 ] - [ 0.0004377600000000, -0.0000387000000000, 0.0000362300000000 ] - [ -0.0001227300000000, 0.0002496200000000, 0.0005919500000000 ] - [ -0.0002213000000000, 0.0001488400000000, -0.0008232000000000 ] - [ -0.0035868700000000, 0.0394047600000000, -0.0014550300000000 ] - [ -0.0005810100000000, -0.0002689400000000, -0.0004533600000000 ] - [ 0.0003858200000000, 0.0002134900000000, -0.0003651600000000 ] - [ -0.0001058900000000, 0.0002707900000000, 0.0004372200000000 ] - [ -0.0002071600000000, -0.0000933800000000, 0.0002345300000000 ] - [ 0.0005586800000000, -0.0000364400000000, 0.0000935400000000 ] - [ 0.0003469200000000, 0.0000232900000000, -0.0003314000000000 ] - [ -0.0005169800000000, -0.0006446700000000, -0.0002932900000000 ] - [ 0.0005279200000000, 0.0002030800000000, 0.0001819100000000 ] - [ 0.0005832700000000, 0.0004197700000000, -0.0005277800000000 ] - [ 0.0001349900000000, 0.0002229600000000, 0.0006267300000000 ] - [ 0.0004931000000000, -0.0001603300000000, 0.0002907000000000 ] - [ 0.0003886400000000, -0.0001020100000000, -0.0000627800000000 ] - [ -0.0000610300000000, 0.0001331000000000, 0.0005653400000000 ] - [ 0.0004024600000000, -0.0003749200000000, 0.0000712000000000 ] - [ 0.0005747700000000, 0.0001165400000000, -0.0001717100000000 ] - [ 0.0005356100000000, -0.0002840800000000, 0.0003693900000000 ] - [ -0.0000757100000000, 0.0001394500000000, 0.0003105500000000 ] - [ 0.0002355300000000, 0.0001309900000000, 0.0001706800000000 ] - [ -0.0003306900000000, 0.0001423000000000, 0.0002990300000000 ] - [ 0.0138357100000000, 0.0017274200000000, 0.0037617800000000 ] - [ 0.0000884900000000, -0.0004976000000000, 0.0002066100000000 ] - [ -0.0002564400000000, 0.0000339200000000, -0.0000549700000000 ] - [ -0.0001507100000000, 0.0002472000000000, 0.0001893500000000 ] - [ -0.0001334500000000, -0.0001030400000000, 0.0004684300000000 ] - [ 0.0010707500000000, 0.0013350100000000, 0.0003962900000000 ] - [ -0.0000653000000000, -0.0002025300000000, -0.0000198800000000 ] - [ -0.0003204700000000, -0.0003665500000000, -0.0004344100000000 ] - [ -0.0004577700000000, -0.0000470200000000, -0.0001100000000000 ] - [ 0.0003903900000000, 0.0006214800000000, -0.0002972500000000 ] - [ 0.0001464400000000, 0.0000207200000000, -0.0000006600000000 ] - [ 0.0000586600000000, 0.0000162800000000, 0.0000595400000000 ] - [ -0.0003334900000000, -0.0014521000000000, -0.0006243900000000 ] - [ -0.0003164000000000, 0.0002940300000000, 0.0002987600000000 ] - [ -0.0007887900000000, -0.0001254300000000, 0.0004839000000000 ] - [ 0.0021353200000000, 0.0006350000000000, -0.0027469400000000 ] - [ 0.0005589300000000, -0.0002041900000000, -0.0001996900000000 ] - [ 0.0003121900000000, 0.0000467000000000, 0.0004859600000000 ]- atom: 59 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0019372700000000, -0.0020576900000000, -0.0045201400000000 ] - [ -0.0002055300000000, 0.0000041000000000, -0.0009416200000000 ] - [ -0.0005669700000000, 0.0004056500000000, -0.0002081700000000 ] - [ -0.0005389000000000, 0.0000676100000000, -0.0001035800000000 ] - [ 0.0004598000000000, -0.0002114300000000, 0.0002717900000000 ] - [ 0.0008576200000000, 0.0002915700000000, 0.0002206800000000 ] - [ 0.0000421100000000, 0.0007292700000000, -0.0054533100000000 ] - [ 0.0011711700000000, 0.0034717200000000, -0.0029611500000000 ] - [ 0.0003585800000000, 0.0004021600000000, 0.0003516000000000 ] - [ -0.0000997600000000, 0.0001844500000000, -0.0000948700000000 ] - [ -0.0000360200000000, 0.0003141100000000, -0.0005069700000000 ] - [ 0.0003063100000000, 0.0000994800000000, 0.0007305000000000 ] - [ -0.0011567400000000, -0.0005639800000000, -0.0002055700000000 ] - [ 0.0016232100000000, 0.0006805500000000, 0.0014538400000000 ] - [ 0.0006737600000000, -0.0000582400000000, 0.0005158300000000 ] - [ 0.0006568300000000, -0.0000086800000000, -0.0001101000000000 ] - [ 0.0001371700000000, -0.0003151700000000, 0.0001490300000000 ] - [ -0.0002576100000000, -0.0001926100000000, -0.0000614700000000 ] - [ 0.0003078000000000, -0.0001667400000000, 0.0000194100000000 ] - [ -0.0001166900000000, -0.0001580300000000, 0.0001549900000000 ] - [ -0.0001253100000000, 0.0014543600000000, -0.0001829800000000 ] - [ -0.0002001100000000, -0.0000151300000000, -0.0004440500000000 ] - [ -0.0836353100000000, -0.1140577800000000, -0.0454837900000000 ] - [ 0.0013968100000000, -0.0079900200000000, 0.0012684400000000 ] - [ -0.0001136300000000, -0.0000124900000000, -0.0012301000000000 ] - [ -0.0009559500000000, -0.0010791700000000, 0.0000333500000000 ] - [ 0.0010588000000000, -0.0003682200000000, 0.0001782300000000 ] - [ -0.0005256900000000, 0.0022339400000000, 0.0004059300000000 ] - [ -0.0003649500000000, 0.0000992500000000, -0.0010604200000000 ] - [ -0.0001530600000000, -0.0002245100000000, 0.0003364700000000 ] - [ 0.0005750500000000, -0.0006534800000000, 0.0004893700000000 ] - [ 0.0010328800000000, -0.0004602600000000, 0.0007254800000000 ] - [ 0.0006770700000000, 0.0001388100000000, 0.0005588600000000 ] - [ 0.0006711600000000, 0.0000499200000000, 0.0002389500000000 ] - [ -0.0000901100000000, 0.0006784200000000, 0.0004020800000000 ] - [ 0.0003378800000000, -0.0005759100000000, -0.0000382000000000 ] - [ 0.0007306000000000, 0.0002610300000000, -0.0002925400000000 ] - [ 0.0008377200000000, 0.0005244700000000, 0.0001017400000000 ] - [ -0.0000655400000000, -0.0000039200000000, -0.0001509000000000 ] - [ -0.0006368600000000, -0.0004005800000000, 0.0002587500000000 ] - [ -0.0000802900000000, 0.0000158000000000, -0.0001438400000000 ] - [ -0.0000519700000000, -0.0007937800000000, -0.0003701200000000 ] - [ 0.0000422700000000, -0.0004195800000000, -0.0000762900000000 ] - [ 0.0022734800000000, -0.0037663400000000, 0.0006564100000000 ] - [ -0.0002585000000000, -0.0002186700000000, 0.0001213000000000 ] - [ -0.0006819100000000, 0.0003166400000000, 0.0001689900000000 ] - [ -0.0001510000000000, 0.0000689500000000, -0.0002606800000000 ] - [ -0.0001812400000000, -0.0003766600000000, 0.0001511700000000 ] - [ 0.0001469100000000, -0.0005473800000000, -0.0001105000000000 ] - [ 0.0000734100000000, -0.0002544600000000, 0.0001899300000000 ] - [ -0.0002985100000000, -0.0001781100000000, -0.0003434600000000 ] - [ -0.0000394900000000, 0.0000485700000000, 0.0001714400000000 ] - [ -0.0005247400000000, -0.0002384400000000, 0.0002428900000000 ] - [ 0.0000733400000000, 0.0002172900000000, -0.0003940300000000 ] - [ 0.0006927900000000, 0.0008620600000000, 0.0003930500000000 ] - [ 0.0014928700000000, -0.0003241500000000, 0.0018530200000000 ] - [ 0.0040540600000000, -0.0002641100000000, -0.0001424900000000 ] - [ -0.0003609200000000, 0.0024985200000000, -0.0009711900000000 ] - [ 0.0898137100000000, 0.1699934200000000, 0.0477885500000000 ] - [ -0.0054783100000000, -0.0052688100000000, 0.0120053700000000 ] - [ 0.0004712200000000, -0.0003586600000000, 0.0007329200000000 ] - [ -0.0029576600000000, -0.0007912000000000, -0.0014219600000000 ] - [ 0.0000430700000000, 0.0001233600000000, 0.0002585400000000 ] - [ -0.0005639600000000, -0.0000342600000000, 0.0008524800000000 ] - [ 0.0002196100000000, -0.0000555100000000, 0.0000032000000000 ] - [ -0.0001195300000000, -0.0004757600000000, 0.0001571000000000 ] - [ -0.0001829800000000, 0.0000864300000000, -0.0000919900000000 ] - [ 0.0018750700000000, -0.0015305900000000, -0.0010715100000000 ] - [ -0.0000177800000000, 0.0001258800000000, 0.0001037300000000 ] - [ -0.0001388200000000, 0.0002158400000000, -0.0002349800000000 ] - [ 0.0014649600000000, -0.0020343500000000, -0.0015045500000000 ] - [ -0.0004697500000000, 0.0003234900000000, -0.0001973400000000 ] - [ -0.0007720500000000, -0.0002598700000000, -0.0006103800000000 ] - [ 0.0001970600000000, 0.0003205500000000, -0.0001634600000000 ] - [ 0.0034510500000000, -0.0395414300000000, 0.0013380500000000 ] - [ 0.0000818600000000, 0.0001248700000000, 0.0001288000000000 ] - [ -0.0000086000000000, 0.0000196800000000, -0.0001793800000000 ] - [ -0.0002921900000000, 0.0001821000000000, -0.0000154400000000 ] - [ -0.0005047700000000, -0.0000877800000000, -0.0000685700000000 ] - [ 0.0001582800000000, -0.0001450200000000, -0.0002607500000000 ] - [ -0.0000051000000000, -0.0001532700000000, -0.0003757600000000 ] - [ 0.0006096700000000, 0.0006331600000000, 0.0008255900000000 ] - [ -0.0000106100000000, 0.0003757100000000, -0.0002654900000000 ] - [ -0.0001395200000000, -0.0000183900000000, -0.0006829800000000 ] - [ -0.0001189000000000, 0.0002474000000000, 0.0003577500000000 ] - [ 0.0000026000000000, 0.0000187300000000, 0.0000346200000000 ] - [ -0.0004900100000000, 0.0000877300000000, -0.0004673300000000 ] - [ -0.0003785500000000, 0.0002665700000000, 0.0006407400000000 ] - [ -0.0000166300000000, -0.0004984200000000, -0.0000534700000000 ] - [ 0.0002310400000000, 0.0001300500000000, -0.0001132500000000 ] - [ 0.0000066900000000, -0.0001798800000000, -0.0001409900000000 ] - [ -0.0003068400000000, 0.0000940600000000, 0.0002320600000000 ] - [ -0.0001137300000000, 0.0000515300000000, -0.0001318400000000 ] - [ -0.0004761700000000, 0.0001039500000000, -0.0000118000000000 ] - [ -0.0128373400000000, -0.0018156200000000, -0.0037129100000000 ] - [ -0.0004716300000000, -0.0003762600000000, -0.0002235500000000 ] - [ 0.0002852300000000, 0.0002490400000000, 0.0002165500000000 ] - [ -0.0003688900000000, 0.0003306900000000, -0.0001012600000000 ] - [ -0.0002134500000000, -0.0000273800000000, 0.0002366400000000 ] - [ -0.0006643400000000, -0.0008744100000000, -0.0008090000000000 ] - [ -0.0004719400000000, -0.0002611700000000, -0.0002059500000000 ] - [ 0.0002746600000000, 0.0006438800000000, 0.0002835000000000 ] - [ -0.0004477800000000, 0.0000369300000000, 0.0000878400000000 ] - [ -0.0004077500000000, -0.0001500700000000, -0.0006833900000000 ] - [ -0.0002660500000000, 0.0001613700000000, -0.0000386400000000 ] - [ -0.0005481500000000, -0.0001559200000000, -0.0003826500000000 ] - [ 0.0006940200000000, 0.0016648600000000, 0.0000711300000000 ] - [ -0.0000883400000000, 0.0001605200000000, 0.0001247300000000 ] - [ 0.0000698900000000, -0.0000586800000000, -0.0003130700000000 ] - [ -0.0014004000000000, -0.0007969200000000, 0.0025565600000000 ] - [ -0.0002143000000000, 0.0000754900000000, -0.0004992900000000 ] - [ -0.0002123300000000, -0.0000606600000000, 0.0000455400000000 ]- atom: 59 displacement: [ -0.0057565208649526, 0.0000000000000000, 0.0081769473235044 ] forces: - [ 0.0029764900000000, 0.0004646800000000, -0.0032969600000000 ] - [ 0.0013633200000000, -0.0001710100000000, -0.0013845900000000 ] - [ -0.0006836500000000, 0.0008415200000000, -0.0031155600000000 ] - [ 0.0003374600000000, 0.0000599300000000, -0.0014629100000000 ] - [ -0.0000649100000000, -0.0001780600000000, -0.0001970300000000 ] - [ 0.0014379000000000, 0.0002334100000000, 0.0010749700000000 ] - [ -0.0096552800000000, 0.0049280300000000, 0.0115504800000000 ] - [ 0.0013498500000000, 0.0046028700000000, 0.0028673900000000 ] - [ 0.0001366200000000, 0.0003575600000000, 0.0003680100000000 ] - [ -0.0009142900000000, -0.0002261800000000, 0.0003576100000000 ] - [ 0.0000953600000000, 0.0003156600000000, -0.0011482500000000 ] - [ -0.0008437500000000, -0.0001055700000000, -0.0004083500000000 ] - [ 0.0003851100000000, -0.0011025800000000, -0.0027633800000000 ] - [ 0.0011788500000000, 0.0004583900000000, 0.0026559400000000 ] - [ 0.0008455800000000, -0.0000538700000000, 0.0003183200000000 ] - [ 0.0005723600000000, -0.0000402700000000, -0.0001936800000000 ] - [ -0.0000608500000000, -0.0003353600000000, 0.0001329900000000 ] - [ -0.0000545200000000, -0.0002562200000000, -0.0003713800000000 ] - [ 0.0003512300000000, -0.0001852400000000, -0.0000752300000000 ] - [ -0.0003607000000000, -0.0003155600000000, -0.0001375200000000 ] - [ 0.0055748200000000, -0.0010686800000000, 0.0039499500000000 ] - [ 0.0004042700000000, -0.0001110700000000, -0.0008885900000000 ] - [ -0.0191466100000000, -0.0077937500000000, 0.0260055400000000 ] - [ -0.0054187000000000, -0.0006590200000000, 0.0096788200000000 ] - [ 0.0017359100000000, -0.0000417600000000, -0.0026603100000000 ] - [ 0.0012445700000000, 0.0000552900000000, -0.0031240200000000 ] - [ 0.0005862400000000, 0.0001742300000000, 0.0009551400000000 ] - [ -0.0022196100000000, 0.0029078200000000, -0.0016552000000000 ] - [ 0.0005773200000000, 0.0001315400000000, -0.0021699500000000 ] - [ -0.0006375700000000, -0.0000073000000000, -0.0013229700000000 ] - [ 0.0010378700000000, -0.0008226200000000, 0.0010025600000000 ] - [ -0.0035021600000000, -0.0000385700000000, -0.0003589300000000 ] - [ 0.0008268600000000, 0.0001381200000000, 0.0003809500000000 ] - [ 0.0011159900000000, 0.0001362400000000, 0.0001509900000000 ] - [ -0.0011650500000000, 0.0005534400000000, 0.0001749100000000 ] - [ -0.0002001600000000, -0.0006189900000000, -0.0005111300000000 ] - [ 0.0036298600000000, -0.0007267800000000, 0.0010688800000000 ] - [ 0.0012231200000000, 0.0006694500000000, -0.0006298600000000 ] - [ -0.0009694000000000, 0.0002309700000000, -0.0004803500000000 ] - [ -0.0010234200000000, -0.0001476200000000, -0.0011714900000000 ] - [ -0.0003314600000000, 0.0000342500000000, 0.0007062700000000 ] - [ 0.0003369400000000, -0.0005624500000000, 0.0002395300000000 ] - [ -0.0002917400000000, -0.0005526900000000, 0.0001556700000000 ] - [ 0.0019468000000000, 0.0003106700000000, -0.0006816100000000 ] - [ -0.0009127200000000, -0.0001141100000000, 0.0009332200000000 ] - [ 0.0003429500000000, -0.0000949600000000, -0.0006818800000000 ] - [ -0.0000221900000000, 0.0000963500000000, 0.0000150000000000 ] - [ -0.0003748400000000, -0.0003225800000000, 0.0003668600000000 ] - [ 0.0004076800000000, -0.0003379900000000, -0.0002010500000000 ] - [ -0.0000774100000000, -0.0002796000000000, 0.0003939700000000 ] - [ 0.0000075900000000, -0.0002686500000000, -0.0001925300000000 ] - [ -0.0004001600000000, 0.0001880900000000, 0.0000536400000000 ] - [ -0.0014522500000000, 0.0005976300000000, 0.0000216100000000 ] - [ -0.0004219000000000, 0.0000183100000000, -0.0001571100000000 ] - [ -0.0003617300000000, 0.0001716100000000, 0.0022461000000000 ] - [ 0.0020384400000000, -0.0014857400000000, 0.0046520300000000 ] - [ -0.0075942300000000, 0.0004949000000000, -0.0004601900000000 ] - [ 0.0071632100000000, -0.0016015500000000, 0.0057438700000000 ] - [ 0.0362030200000000, 0.0108548700000000, -0.0367090700000000 ] - [ -0.0084094000000000, -0.0097849300000000, -0.0087583300000000 ] - [ -0.0001030600000000, -0.0003244800000000, 0.0014329500000000 ] - [ 0.0046509700000000, 0.0007080000000000, 0.0022992300000000 ] - [ -0.0005199500000000, -0.0000580000000000, 0.0007387200000000 ] - [ -0.0014375800000000, 0.0001217900000000, 0.0016469000000000 ] - [ 0.0000037200000000, -0.0000650400000000, 0.0000059400000000 ] - [ -0.0005966800000000, -0.0003448000000000, 0.0004485100000000 ] - [ 0.0003715700000000, 0.0002542300000000, 0.0004457100000000 ] - [ -0.0015164400000000, 0.0007693700000000, 0.0028626600000000 ] - [ 0.0001620000000000, -0.0005489600000000, 0.0013769900000000 ] - [ -0.0000069000000000, 0.0002292200000000, -0.0004616700000000 ] - [ 0.0019749000000000, -0.0016202800000000, -0.0004411000000000 ] - [ -0.0002564000000000, 0.0002231600000000, -0.0002594100000000 ] - [ 0.0004746400000000, 0.0001875600000000, 0.0006401700000000 ] - [ -0.0016382700000000, -0.0002399100000000, -0.0004723100000000 ] - [ 0.0063366900000000, 0.0017513400000000, -0.0072501200000000 ] - [ -0.0006142200000000, -0.0003447600000000, 0.0006699100000000 ] - [ -0.0004577300000000, 0.0000802900000000, -0.0003076400000000 ] - [ 0.0000792200000000, 0.0004309400000000, 0.0008966100000000 ] - [ -0.0004803500000000, -0.0003362200000000, 0.0006315800000000 ] - [ 0.0004188700000000, -0.0002442800000000, -0.0002842300000000 ] - [ -0.0008338200000000, -0.0001453400000000, -0.0011273200000000 ] - [ -0.0010192300000000, 0.0002805700000000, 0.0010082900000000 ] - [ 0.0000139600000000, 0.0003310200000000, -0.0004648100000000 ] - [ 0.0013446400000000, 0.0003773300000000, -0.0021416200000000 ] - [ -0.0000564600000000, 0.0002313200000000, 0.0005319700000000 ] - [ 0.0000528700000000, -0.0000025500000000, 0.0002187800000000 ] - [ -0.0005939000000000, 0.0001737900000000, -0.0005613100000000 ] - [ -0.0005874600000000, 0.0002781700000000, 0.0008814300000000 ] - [ -0.0000812000000000, -0.0005064200000000, -0.0000231800000000 ] - [ 0.0001571500000000, 0.0001151200000000, 0.0000046100000000 ] - [ 0.0005249200000000, -0.0002037500000000, 0.0001972900000000 ] - [ -0.0004950300000000, 0.0001685900000000, 0.0003678800000000 ] - [ 0.0005460100000000, 0.0000866500000000, -0.0000002300000000 ] - [ -0.0001195700000000, 0.0001095100000000, -0.0002226400000000 ] - [ -0.0048760100000000, -0.0017997200000000, -0.0074517400000000 ] - [ 0.0003738000000000, -0.0004519600000000, 0.0000813100000000 ] - [ 0.0003285500000000, 0.0001296700000000, 0.0008904700000000 ] - [ -0.0002815100000000, 0.0003022100000000, 0.0000878900000000 ] - [ -0.0000799000000000, -0.0003105900000000, 0.0009382100000000 ] - [ -0.0020719500000000, -0.0005621200000000, -0.0021086200000000 ] - [ -0.0004434500000000, -0.0002131400000000, 0.0000366100000000 ] - [ -0.0043291900000000, 0.0019654600000000, 0.0015970900000000 ] - [ -0.0006887700000000, 0.0002495300000000, 0.0004442800000000 ] - [ -0.0001683600000000, 0.0001039400000000, -0.0009386500000000 ] - [ -0.0003301900000000, 0.0001606200000000, 0.0000269000000000 ] - [ 0.0000500700000000, -0.0000110400000000, -0.0000128100000000 ] - [ 0.0004696200000000, 0.0001151800000000, -0.0016049700000000 ] - [ -0.0001941100000000, 0.0003515000000000, 0.0007412800000000 ] - [ -0.0002083800000000, -0.0004822500000000, 0.0011284800000000 ] - [ -0.0027104200000000, -0.0004120400000000, 0.0034897000000000 ] - [ -0.0006338300000000, -0.0006727400000000, -0.0017062200000000 ] - [ 0.0002331800000000, -0.0000001800000000, 0.0002204500000000 ]- atom: 59 displacement: [ 0.0057565208649526, 0.0000000000000000, -0.0081769473235044 ] forces: - [ -0.0029792200000000, 0.0004242700000000, 0.0033129700000000 ] - [ -0.0018805400000000, 0.0000264800000000, 0.0006846400000000 ] - [ 0.0004468500000000, -0.0002441900000000, 0.0018859700000000 ] - [ -0.0005638300000000, 0.0000073800000000, 0.0018948400000000 ] - [ 0.0000574300000000, -0.0002742600000000, 0.0001955900000000 ] - [ -0.0012064200000000, 0.0003641200000000, 0.0001600100000000 ] - [ 0.0100518600000000, -0.0045724800000000, -0.0103211600000000 ] - [ -0.0008277500000000, -0.0042973700000000, -0.0035750300000000 ] - [ -0.0001383100000000, 0.0005135900000000, -0.0003733700000000 ] - [ 0.0003966500000000, 0.0000777300000000, -0.0010622800000000 ] - [ -0.0003278800000000, 0.0002818400000000, -0.0000780200000000 ] - [ 0.0006031600000000, 0.0001727800000000, 0.0008303200000000 ] - [ -0.0003737000000000, 0.0006617600000000, 0.0027875500000000 ] - [ -0.0009440100000000, 0.0001457700000000, -0.0014489800000000 ] - [ -0.0003264700000000, -0.0000901400000000, 0.0003842500000000 ] - [ -0.0003447000000000, 0.0001088400000000, -0.0002316000000000 ] - [ 0.0005456200000000, -0.0000749600000000, -0.0000404800000000 ] - [ -0.0004405800000000, -0.0002198600000000, 0.0002731300000000 ] - [ 0.0001424300000000, -0.0002190100000000, 0.0001737800000000 ] - [ -0.0001310500000000, -0.0001611900000000, 0.0000334400000000 ] - [ -0.0057461000000000, -0.0001190700000000, -0.0031613900000000 ] - [ -0.0010266500000000, 0.0001590100000000, 0.0003205800000000 ] - [ 0.0204311300000000, 0.0085495400000000, -0.0249086700000000 ] - [ 0.0061103200000000, 0.0007294900000000, -0.0090667400000000 ] - [ -0.0028168500000000, 0.0011920400000000, 0.0027143600000000 ] - [ -0.0010451800000000, -0.0012345200000000, 0.0023632200000000 ] - [ 0.0000690100000000, -0.0006427900000000, -0.0010073800000000 ] - [ 0.0033495400000000, -0.0017855700000000, 0.0015994600000000 ] - [ -0.0012728400000000, 0.0000721200000000, 0.0011581100000000 ] - [ -0.0000308600000000, -0.0004644000000000, 0.0013760000000000 ] - [ -0.0012389500000000, -0.0003542500000000, -0.0002541500000000 ] - [ 0.0028611800000000, 0.0000879800000000, -0.0002133500000000 ] - [ -0.0001341900000000, 0.0000655800000000, 0.0006345700000000 ] - [ -0.0004936700000000, -0.0000891800000000, 0.0004208700000000 ] - [ 0.0000816200000000, 0.0005919100000000, -0.0001403300000000 ] - [ 0.0003956500000000, -0.0005578600000000, -0.0002497300000000 ] - [ -0.0029917300000000, 0.0002614900000000, -0.0011409600000000 ] - [ -0.0001560400000000, 0.0004783900000000, 0.0005914800000000 ] - [ 0.0002694600000000, -0.0000255800000000, -0.0005416600000000 ] - [ 0.0003700400000000, -0.0003221700000000, 0.0012264900000000 ] - [ 0.0000242900000000, 0.0001159600000000, -0.0008605300000000 ] - [ -0.0005866000000000, -0.0002188600000000, 0.0000764400000000 ] - [ 0.0005433700000000, -0.0002423900000000, -0.0004610900000000 ] - [ -0.0015296500000000, -0.0007172000000000, 0.0010377700000000 ] - [ 0.0005084400000000, -0.0003183800000000, -0.0012553100000000 ] - [ -0.0000270300000000, 0.0002420800000000, 0.0008234200000000 ] - [ -0.0002829800000000, 0.0000506400000000, -0.0001671100000000 ] - [ 0.0001275800000000, -0.0004686300000000, -0.0000581600000000 ] - [ -0.0001560200000000, -0.0004535400000000, -0.0000968600000000 ] - [ 0.0004847000000000, -0.0001536600000000, -0.0000768100000000 ] - [ -0.0004129700000000, -0.0001629400000000, -0.0001232100000000 ] - [ 0.0007130700000000, -0.0000385800000000, 0.0001017000000000 ] - [ 0.0019669700000000, -0.0000144500000000, -0.0001133300000000 ] - [ 0.0008595100000000, 0.0003805300000000, -0.0010506400000000 ] - [ 0.0003751700000000, 0.0002963300000000, -0.0012530900000000 ] - [ -0.0015752400000000, 0.0013680600000000, -0.0043852300000000 ] - [ 0.0074110200000000, -0.0004912100000000, -0.0000739100000000 ] - [ -0.0075427500000000, 0.0019900000000000, -0.0045002200000000 ] - [ -0.0365151200000000, -0.0131040400000000, 0.0363084600000000 ] - [ 0.0091167800000000, 0.0098802000000000, 0.0084248000000000 ] - [ 0.0006401900000000, -0.0001394400000000, -0.0012118400000000 ] - [ -0.0049903800000000, -0.0004715100000000, -0.0017382200000000 ] - [ 0.0006388300000000, 0.0002419000000000, -0.0007004200000000 ] - [ 0.0006318300000000, 0.0001257500000000, -0.0013629600000000 ] - [ 0.0009012200000000, 0.0000551300000000, 0.0000153500000000 ] - [ 0.0002096700000000, -0.0005304200000000, -0.0004664600000000 ] - [ -0.0003393000000000, 0.0000320200000000, -0.0002845100000000 ] - [ 0.0009889600000000, -0.0001863300000000, -0.0027705900000000 ] - [ -0.0005068300000000, 0.0004186400000000, -0.0006674400000000 ] - [ 0.0004146200000000, 0.0002254600000000, 0.0000355800000000 ] - [ -0.0025625300000000, 0.0011593200000000, 0.0002231100000000 ] - [ 0.0002336400000000, 0.0000599700000000, 0.0000998800000000 ] - [ -0.0013732600000000, -0.0001950500000000, -0.0006568900000000 ] - [ 0.0016130800000000, 0.0007076100000000, -0.0005174100000000 ] - [ -0.0065361900000000, -0.0014037200000000, 0.0072124100000000 ] - [ 0.0001192100000000, 0.0002038900000000, -0.0009993500000000 ] - [ 0.0008371700000000, 0.0001537500000000, -0.0002370400000000 ] - [ -0.0004800500000000, 0.0000231100000000, -0.0004717600000000 ] - [ -0.0002338500000000, 0.0001543200000000, -0.0004657300000000 ] - [ 0.0003029800000000, 0.0000620200000000, 0.0001184100000000 ] - [ 0.0011795000000000, 0.0000169300000000, 0.0004152100000000 ] - [ 0.0011165900000000, -0.0002973100000000, -0.0004776600000000 ] - [ 0.0005060900000000, 0.0002470500000000, 0.0003818300000000 ] - [ -0.0009038900000000, 0.0000251700000000, 0.0009325900000000 ] - [ 0.0000739700000000, 0.0002396100000000, 0.0004550400000000 ] - [ 0.0004441700000000, -0.0001395600000000, 0.0001054600000000 ] - [ 0.0004954700000000, -0.0001892400000000, 0.0000322300000000 ] - [ 0.0001502600000000, 0.0001207600000000, 0.0003239100000000 ] - [ 0.0004690000000000, -0.0003685100000000, 0.0000400700000000 ] - [ 0.0006505200000000, 0.0001317700000000, -0.0002919900000000 ] - [ 0.0000192000000000, -0.0002619700000000, 0.0000350500000000 ] - [ 0.0001152300000000, 0.0000648700000000, 0.0001742100000000 ] - [ -0.0004239100000000, 0.0000978500000000, 0.0000419000000000 ] - [ -0.0006869000000000, 0.0001373400000000, 0.0005131700000000 ] - [ 0.0057746500000000, 0.0017883500000000, 0.0075270500000000 ] - [ -0.0007554600000000, -0.0004238300000000, -0.0000953900000000 ] - [ -0.0003070400000000, 0.0001529000000000, -0.0007351800000000 ] - [ -0.0002377100000000, 0.0002744800000000, 0.0000022200000000 ] - [ -0.0002681200000000, 0.0001819500000000, -0.0002304400000000 ] - [ 0.0024983100000000, 0.0010218500000000, 0.0017118500000000 ] - [ -0.0000927600000000, -0.0002516900000000, -0.0002643700000000 ] - [ 0.0043528000000000, -0.0016996100000000, -0.0017805500000000 ] - [ -0.0002162300000000, -0.0002605400000000, -0.0004679100000000 ] - [ 0.0001520700000000, 0.0003668900000000, -0.0000424900000000 ] - [ 0.0002129800000000, 0.0000230000000000, -0.0000674500000000 ] - [ -0.0005368000000000, -0.0001273400000000, -0.0003077600000000 ] - [ -0.0001053600000000, 0.0000969400000000, 0.0010491300000000 ] - [ -0.0002130400000000, 0.0001036500000000, -0.0003174600000000 ] - [ -0.0005221100000000, 0.0003000600000000, -0.0009623300000000 ] - [ 0.0034487000000000, 0.0002324400000000, -0.0036843600000000 ] - [ 0.0009844800000000, 0.0005492900000000, 0.0010133600000000 ] - [ -0.0001306600000000, -0.0000131600000000, 0.0003135300000000 ]- atom: 60 displacement: [ 0.0099999987502926, 0.0000000000000000, -0.0000049994145799 ] forces: - [ 0.0136107700000000, -0.0023468300000000, -0.0042839500000000 ] - [ -0.0028986500000000, -0.0005760100000000, 0.0022539300000000 ] - [ 0.0032000200000000, 0.0005663700000000, -0.0040791200000000 ] - [ -0.0010263900000000, -0.0000137700000000, 0.0023964000000000 ] - [ -0.0004826000000000, -0.0002968600000000, -0.0009369300000000 ] - [ -0.0039944200000000, 0.0007179600000000, -0.0004402600000000 ] - [ 0.0121957800000000, 0.0017412000000000, -0.0075174100000000 ] - [ -0.0046557500000000, 0.0017791900000000, 0.0059683200000000 ] - [ -0.0010798300000000, 0.0005012800000000, -0.0002274200000000 ] - [ -0.0020810200000000, 0.0001525000000000, -0.0016825200000000 ] - [ -0.0012061300000000, 0.0003332300000000, 0.0000425100000000 ] - [ -0.0001427500000000, -0.0000223500000000, -0.0013185500000000 ] - [ -0.0005163700000000, -0.0002188700000000, 0.0024258300000000 ] - [ -0.0023899100000000, -0.0000853500000000, 0.0004513600000000 ] - [ -0.0014329500000000, -0.0001053400000000, 0.0002062400000000 ] - [ -0.0013006600000000, 0.0002470200000000, -0.0009555900000000 ] - [ 0.0009305700000000, 0.0003780300000000, -0.0005151800000000 ] - [ -0.0002219000000000, -0.0003551200000000, 0.0002108900000000 ] - [ 0.0001239100000000, -0.0003116400000000, 0.0002389800000000 ] - [ -0.0001896800000000, -0.0000730500000000, -0.0000965400000000 ] - [ -0.0052318600000000, -0.0073659000000000, -0.0045891200000000 ] - [ -0.0020422600000000, 0.0002479900000000, 0.0006328500000000 ] - [ 0.0525601800000000, 0.0109599600000000, -0.0520014900000000 ] - [ -0.0049612900000000, -0.0005095000000000, -0.0017858300000000 ] - [ -0.0020165700000000, 0.0009590400000000, 0.0026083100000000 ] - [ 0.0043746900000000, -0.0005210300000000, 0.0019721800000000 ] - [ -0.0012938500000000, -0.0007681900000000, -0.0025687000000000 ] - [ 0.0028824900000000, 0.0008208200000000, 0.0019569900000000 ] - [ -0.0016296000000000, 0.0004109300000000, 0.0028544400000000 ] - [ 0.0002511100000000, -0.0006078100000000, -0.0000673100000000 ] - [ -0.0020397500000000, -0.0002418700000000, 0.0002232300000000 ] - [ -0.0012813100000000, -0.0008165700000000, -0.0027797500000000 ] - [ -0.0006818400000000, -0.0000453300000000, 0.0005381900000000 ] - [ -0.0017290500000000, -0.0001686600000000, 0.0002137100000000 ] - [ -0.0001566100000000, 0.0003893100000000, -0.0013910000000000 ] - [ -0.0007988400000000, -0.0007265800000000, -0.0005721600000000 ] - [ -0.0015216800000000, -0.0003640600000000, 0.0010467400000000 ] - [ 0.0000153500000000, 0.0006481700000000, -0.0001813100000000 ] - [ -0.0008812000000000, 0.0002981500000000, -0.0012900100000000 ] - [ -0.0001345600000000, -0.0003195000000000, 0.0010894900000000 ] - [ -0.0006360200000000, 0.0002375400000000, -0.0003349000000000 ] - [ -0.0006244400000000, -0.0002356000000000, 0.0000848600000000 ] - [ 0.0003823300000000, -0.0002747100000000, -0.0005346900000000 ] - [ -0.0017257000000000, -0.0003984300000000, 0.0004151300000000 ] - [ 0.0000699000000000, -0.0001847600000000, -0.0012119200000000 ] - [ 0.0010716500000000, -0.0003837300000000, 0.0023787500000000 ] - [ -0.0000579500000000, 0.0000485900000000, -0.0001218100000000 ] - [ -0.0000320700000000, -0.0004468900000000, 0.0000584900000000 ] - [ -0.0002073800000000, -0.0005422200000000, 0.0001946900000000 ] - [ 0.0005580800000000, -0.0001322200000000, -0.0000108900000000 ] - [ -0.0002610300000000, -0.0002372300000000, 0.0002335000000000 ] - [ 0.0007596800000000, 0.0000552200000000, -0.0002063100000000 ] - [ 0.0073983800000000, 0.0036973900000000, -0.0010535500000000 ] - [ 0.0016181400000000, 0.0005313000000000, -0.0014597100000000 ] - [ -0.0037038200000000, 0.0001299400000000, 0.0012519800000000 ] - [ -0.0008684400000000, -0.0000630400000000, -0.0016487500000000 ] - [ -0.0050296300000000, -0.0016891500000000, -0.0009576600000000 ] - [ 0.0024168100000000, -0.0005398500000000, 0.0038121300000000 ] - [ 0.0042269000000000, 0.0054196700000000, -0.0079375100000000 ] - [ -0.0922110300000000, 0.0003729400000000, 0.0989128100000000 ] - [ 0.0005112600000000, 0.0000424000000000, -0.0013934700000000 ] - [ 0.0011630600000000, -0.0001591900000000, 0.0029249700000000 ] - [ 0.0012320100000000, 0.0004012600000000, -0.0012843000000000 ] - [ 0.0022649000000000, 0.0014181500000000, -0.0045870900000000 ] - [ 0.0016042900000000, 0.0000819400000000, 0.0002559600000000 ] - [ 0.0004424800000000, -0.0005943700000000, -0.0008219300000000 ] - [ -0.0001564400000000, 0.0000151300000000, 0.0003798700000000 ] - [ -0.0049177800000000, 0.0018276100000000, -0.0017656300000000 ] - [ -0.0017155000000000, -0.0004323800000000, 0.0002423800000000 ] - [ 0.0010737700000000, 0.0000940000000000, 0.0005936800000000 ] - [ -0.0014137900000000, -0.0008210700000000, -0.0029449800000000 ] - [ 0.0011492000000000, -0.0002343800000000, 0.0006616700000000 ] - [ -0.0006071000000000, 0.0008357800000000, 0.0012946400000000 ] - [ 0.0016392800000000, 0.0003082600000000, -0.0005428900000000 ] - [ 0.0190410500000000, -0.0094407900000000, -0.0206290800000000 ] - [ -0.0000497700000000, 0.0001957700000000, -0.0010480200000000 ] - [ 0.0019205000000000, 0.0003736800000000, -0.0001288800000000 ] - [ -0.0005777000000000, 0.0004773400000000, 0.0008143700000000 ] - [ -0.0003242000000000, 0.0000007900000000, 0.0004200300000000 ] - [ 0.0004253000000000, 0.0003498600000000, 0.0010188100000000 ] - [ 0.0019017100000000, 0.0004602800000000, 0.0013397600000000 ] - [ -0.0015280500000000, -0.0046629600000000, -0.0035676400000000 ] - [ 0.0010731900000000, 0.0001792300000000, 0.0000418600000000 ] - [ 0.0007738400000000, 0.0002778700000000, 0.0001000400000000 ] - [ 0.0005993000000000, 0.0000885700000000, 0.0004327800000000 ] - [ 0.0007125700000000, -0.0001965100000000, 0.0005132200000000 ] - [ 0.0012284100000000, -0.0001940200000000, 0.0001519300000000 ] - [ 0.0007527600000000, -0.0000318000000000, 0.0001361900000000 ] - [ 0.0009172800000000, -0.0002654900000000, 0.0002169100000000 ] - [ 0.0010515300000000, 0.0000881900000000, -0.0005173600000000 ] - [ 0.0003939000000000, -0.0003207300000000, 0.0007944600000000 ] - [ 0.0007441000000000, -0.0000085300000000, 0.0003252100000000 ] - [ 0.0002966500000000, 0.0000944800000000, 0.0006846600000000 ] - [ -0.0000379400000000, 0.0002340600000000, 0.0003792600000000 ] - [ 0.0024369100000000, -0.0001725300000000, 0.0008903200000000 ] - [ 0.0002533300000000, -0.0005099100000000, 0.0006527100000000 ] - [ -0.0000199600000000, 0.0003104300000000, -0.0006643100000000 ] - [ 0.0002156900000000, 0.0003052900000000, 0.0000241000000000 ] - [ 0.0002072700000000, 0.0001756300000000, -0.0000796700000000 ] - [ 0.0021290000000000, 0.0007785600000000, -0.0006598900000000 ] - [ 0.0001098900000000, -0.0002255500000000, 0.0001259000000000 ] - [ 0.0015950100000000, -0.0013670000000000, -0.0011455000000000 ] - [ 0.0001916700000000, -0.0003940900000000, -0.0006115700000000 ] - [ 0.0008487300000000, 0.0005603200000000, -0.0004377800000000 ] - [ 0.0006104500000000, -0.0000737600000000, 0.0000291600000000 ] - [ -0.0001015200000000, -0.0000946400000000, 0.0003392500000000 ] - [ 0.0024263900000000, 0.0007906200000000, 0.0011652700000000 ] - [ 0.0000693500000000, 0.0000719900000000, -0.0004046800000000 ] - [ -0.0002464400000000, -0.0000440000000000, -0.0014587900000000 ] - [ 0.0020167500000000, -0.0002575000000000, -0.0025285100000000 ] - [ 0.0013829100000000, -0.0000462800000000, -0.0002952200000000 ] - [ 0.0010205300000000, 0.0000542700000000, 0.0006527600000000 ]- atom: 60 displacement: [ -0.0099999987502926, 0.0000000000000000, 0.0000049994145799 ] forces: - [ -0.0138978400000000, 0.0034287200000000, 0.0047828300000000 ] - [ 0.0023961500000000, 0.0004379900000000, -0.0029811700000000 ] - [ -0.0034431100000000, 0.0000292500000000, 0.0028609300000000 ] - [ 0.0008044700000000, 0.0000810300000000, -0.0019886900000000 ] - [ 0.0004823100000000, -0.0001542100000000, 0.0009412400000000 ] - [ 0.0042603600000000, -0.0001246000000000, 0.0016790500000000 ] - [ -0.0115986600000000, -0.0020458100000000, 0.0083189200000000 ] - [ 0.0049180000000000, -0.0017054400000000, -0.0063918400000000 ] - [ 0.0010826400000000, 0.0003687300000000, 0.0002259000000000 ] - [ 0.0015617200000000, -0.0002973500000000, 0.0009800300000000 ] - [ 0.0009776200000000, 0.0002649200000000, -0.0012752200000000 ] - [ -0.0000948800000000, 0.0000898600000000, 0.0017464300000000 ] - [ 0.0005396300000000, -0.0002262700000000, -0.0024418200000000 ] - [ 0.0026326300000000, 0.0006862900000000, 0.0007753700000000 ] - [ 0.0019624700000000, -0.0000387100000000, 0.0004975400000000 ] - [ 0.0015411600000000, -0.0001800500000000, 0.0005348300000000 ] - [ -0.0004508900000000, -0.0007867100000000, 0.0006090700000000 ] - [ -0.0002727100000000, -0.0001213200000000, -0.0003089500000000 ] - [ 0.0003672300000000, -0.0000933700000000, -0.0001402400000000 ] - [ -0.0003015200000000, -0.0004043700000000, 0.0000011900000000 ] - [ 0.0050193400000000, 0.0062559800000000, 0.0053654100000000 ] - [ 0.0014311800000000, -0.0002020100000000, -0.0012102300000000 ] - [ -0.0516607500000000, -0.0103988500000000, 0.0514615300000000 ] - [ 0.0055947500000000, 0.0005440700000000, 0.0023737700000000 ] - [ 0.0009537900000000, 0.0001877100000000, -0.0025785700000000 ] - [ -0.0042010000000000, -0.0006585500000000, -0.0027458800000000 ] - [ 0.0019661200000000, 0.0002982600000000, 0.0025268000000000 ] - [ -0.0018267300000000, 0.0003099300000000, -0.0020308200000000 ] - [ 0.0009429300000000, -0.0002082700000000, -0.0038924900000000 ] - [ -0.0009180900000000, 0.0001379800000000, 0.0001213000000000 ] - [ 0.0018521500000000, -0.0009371100000000, 0.0005324300000000 ] - [ 0.0006534800000000, 0.0008641900000000, 0.0022160000000000 ] - [ 0.0013824000000000, 0.0002501800000000, 0.0004784400000000 ] - [ 0.0023659200000000, 0.0002176100000000, 0.0003575700000000 ] - [ -0.0009247900000000, 0.0007586500000000, 0.0014367800000000 ] - [ 0.0009946700000000, -0.0004506200000000, -0.0001875800000000 ] - [ 0.0021953800000000, -0.0001098500000000, -0.0011031600000000 ] - [ 0.0010587000000000, 0.0004988900000000, 0.0001429200000000 ] - [ 0.0001829400000000, -0.0000936800000000, 0.0002728200000000 ] - [ -0.0005308100000000, -0.0001480900000000, -0.0010486900000000 ] - [ 0.0003299500000000, -0.0000861300000000, 0.0001861300000000 ] - [ 0.0003784100000000, -0.0005486700000000, 0.0002299300000000 ] - [ -0.0001301400000000, -0.0005205100000000, 0.0002328500000000 ] - [ 0.0021368800000000, -0.0000331300000000, -0.0000942600000000 ] - [ -0.0004734800000000, -0.0002504500000000, 0.0009020400000000 ] - [ -0.0007701200000000, 0.0005403900000000, -0.0022586100000000 ] - [ -0.0002484700000000, 0.0001009600000000, -0.0000267800000000 ] - [ -0.0002200500000000, -0.0003431400000000, 0.0002496500000000 ] - [ 0.0004646900000000, -0.0002522400000000, -0.0004938800000000 ] - [ -0.0001572100000000, -0.0003038600000000, 0.0003268200000000 ] - [ -0.0001400400000000, -0.0001962200000000, -0.0005503600000000 ] - [ -0.0004521900000000, 0.0000960400000000, 0.0003572200000000 ] - [ -0.0069879600000000, -0.0031762900000000, 0.0009986000000000 ] - [ -0.0011906300000000, -0.0001341700000000, 0.0002600000000000 ] - [ 0.0037410900000000, 0.0003382000000000, -0.0002753600000000 ] - [ 0.0013541900000000, -0.0000699900000000, 0.0019773800000000 ] - [ 0.0050138600000000, 0.0016828100000000, 0.0004215100000000 ] - [ -0.0028509100000000, 0.0009498800000000, -0.0026163700000000 ] - [ -0.0038390900000000, -0.0062637200000000, 0.0078085500000000 ] - [ 0.0926708700000000, -0.0004353000000000, -0.0977935100000000 ] - [ 0.0000241400000000, -0.0005085900000000, 0.0016303700000000 ] - [ -0.0015374100000000, 0.0003906500000000, -0.0023845400000000 ] - [ -0.0011227100000000, -0.0002198900000000, 0.0013339900000000 ] - [ -0.0030892400000000, -0.0011825300000000, 0.0049007900000000 ] - [ -0.0007079400000000, -0.0000928800000000, -0.0002353900000000 ] - [ -0.0008332100000000, -0.0002802600000000, 0.0008118900000000 ] - [ 0.0001861600000000, 0.0002704000000000, -0.0002207300000000 ] - [ 0.0044361800000000, -0.0012492500000000, 0.0018358400000000 ] - [ 0.0013758200000000, 0.0003032800000000, 0.0004671000000000 ] - [ -0.0006741200000000, 0.0003622000000000, -0.0010234400000000 ] - [ 0.0008497300000000, 0.0003977200000000, 0.0027591300000000 ] - [ -0.0011813300000000, 0.0005210900000000, -0.0008244900000000 ] - [ -0.0002932700000000, -0.0008469900000000, -0.0013190600000000 ] - [ -0.0016664800000000, 0.0001633600000000, -0.0004415200000000 ] - [ -0.0188139300000000, 0.0094198700000000, 0.0202178300000000 ] - [ -0.0004473000000000, -0.0003400800000000, 0.0007286900000000 ] - [ -0.0015541200000000, -0.0001425700000000, -0.0004143600000000 ] - [ 0.0001767500000000, -0.0000238900000000, -0.0003923500000000 ] - [ -0.0003930900000000, -0.0001832600000000, -0.0002548900000000 ] - [ 0.0002962300000000, -0.0005346200000000, -0.0011912700000000 ] - [ -0.0015606200000000, -0.0005930700000000, -0.0020574200000000 ] - [ 0.0016387400000000, 0.0046876200000000, 0.0041253900000000 ] - [ -0.0005561300000000, 0.0003994100000000, -0.0001284000000000 ] - [ -0.0003359300000000, 0.0001225600000000, -0.0013088700000000 ] - [ -0.0005837500000000, 0.0003828300000000, 0.0005542100000000 ] - [ -0.0002209000000000, 0.0000560300000000, -0.0001913400000000 ] - [ -0.0013340400000000, 0.0001803400000000, -0.0006848600000000 ] - [ -0.0011965900000000, 0.0004324800000000, 0.0010733600000000 ] - [ -0.0005348500000000, -0.0006109600000000, -0.0002011000000000 ] - [ -0.0002485000000000, 0.0001589000000000, 0.0002320900000000 ] - [ 0.0001490600000000, -0.0001443700000000, -0.0005670700000000 ] - [ -0.0011292000000000, 0.0002425700000000, 0.0002177000000000 ] - [ -0.0001754600000000, 0.0000902800000000, -0.0006454700000000 ] - [ -0.0007676200000000, 0.0000126700000000, -0.0000911200000000 ] - [ -0.0015501300000000, 0.0001633100000000, -0.0008742600000000 ] - [ -0.0006370100000000, -0.0003663700000000, -0.0006693000000000 ] - [ 0.0000457300000000, -0.0000281100000000, 0.0008298100000000 ] - [ -0.0007363500000000, 0.0002721000000000, 0.0000655600000000 ] - [ -0.0005551500000000, -0.0003081400000000, 0.0007942000000000 ] - [ -0.0017283100000000, -0.0003256200000000, 0.0002374300000000 ] - [ -0.0006506500000000, -0.0002401300000000, -0.0003556400000000 ] - [ -0.0016292600000000, 0.0016509400000000, 0.0009874000000000 ] - [ -0.0010993900000000, 0.0003870500000000, 0.0005944200000000 ] - [ -0.0008684400000000, -0.0000908900000000, -0.0005463900000000 ] - [ -0.0007324300000000, 0.0002587800000000, -0.0000692400000000 ] - [ -0.0003875400000000, -0.0000446300000000, -0.0006636200000000 ] - [ -0.0020508400000000, -0.0005590600000000, -0.0017119800000000 ] - [ -0.0004754600000000, 0.0003843300000000, 0.0008350900000000 ] - [ -0.0004788200000000, -0.0001417100000000, 0.0016451300000000 ] - [ -0.0013090000000000, 0.0000787500000000, 0.0023682100000000 ] - [ -0.0010404300000000, -0.0000833100000000, -0.0004126600000000 ] - [ -0.0009196400000000, -0.0000677500000000, -0.0001201700000000 ]- atom: 60 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0041945600000000, 0.0082510900000000, 0.0052670700000000 ] - [ -0.0001736600000000, 0.0000474000000000, 0.0001870600000000 ] - [ -0.0008028800000000, 0.0007081200000000, -0.0001930300000000 ] - [ -0.0000450700000000, 0.0001044000000000, 0.0002689700000000 ] - [ 0.0000481800000000, -0.0002292500000000, 0.0001219400000000 ] - [ 0.0001360100000000, 0.0004967500000000, 0.0006076400000000 ] - [ 0.0041039900000000, -0.0077418300000000, 0.0032362600000000 ] - [ -0.0008891200000000, -0.0023418400000000, -0.0007344300000000 ] - [ 0.0001397700000000, 0.0004430000000000, 0.0000034400000000 ] - [ 0.0001143800000000, -0.0000515800000000, -0.0002953900000000 ] - [ 0.0000283500000000, 0.0002763400000000, -0.0005003600000000 ] - [ 0.0000260700000000, 0.0000767200000000, 0.0005278600000000 ] - [ -0.0005137200000000, -0.0004814000000000, 0.0002886300000000 ] - [ 0.0003135400000000, 0.0002437700000000, 0.0003340300000000 ] - [ 0.0003739200000000, -0.0000568000000000, 0.0004317500000000 ] - [ 0.0001515000000000, 0.0000342000000000, -0.0001329800000000 ] - [ 0.0001815300000000, -0.0003568500000000, 0.0000493000000000 ] - [ -0.0003147700000000, -0.0002040500000000, -0.0000245300000000 ] - [ 0.0002335100000000, -0.0001821800000000, 0.0000246800000000 ] - [ -0.0002054900000000, -0.0002232100000000, -0.0000276000000000 ] - [ -0.0045542500000000, -0.0046065800000000, 0.0010555400000000 ] - [ -0.0001685500000000, 0.0000366900000000, -0.0000983300000000 ] - [ 0.0110897800000000, 0.0289442000000000, -0.0277432400000000 ] - [ 0.0003438500000000, 0.0007879700000000, -0.0017678400000000 ] - [ -0.0008182300000000, 0.0006194700000000, -0.0000112900000000 ] - [ -0.0009576000000000, -0.0017916200000000, -0.0002729200000000 ] - [ 0.0004019100000000, -0.0003988600000000, -0.0001065600000000 ] - [ 0.0021657900000000, 0.0014065500000000, 0.0005641200000000 ] - [ 0.0000117200000000, -0.0002645000000000, -0.0011715100000000 ] - [ -0.0003689700000000, -0.0002478300000000, 0.0002773700000000 ] - [ -0.0000085100000000, -0.0005998300000000, 0.0003091000000000 ] - [ 0.0006617600000000, -0.0001784100000000, 0.0002210400000000 ] - [ 0.0003793300000000, 0.0001107800000000, 0.0005293300000000 ] - [ 0.0003173800000000, -0.0000131300000000, 0.0004007800000000 ] - [ -0.0004200100000000, 0.0005839500000000, 0.0001188500000000 ] - [ 0.0003396900000000, -0.0005511200000000, -0.0002818000000000 ] - [ 0.0001405900000000, -0.0001340200000000, -0.0004874700000000 ] - [ 0.0004442500000000, 0.0005557200000000, 0.0001024600000000 ] - [ -0.0001444900000000, 0.0000478400000000, -0.0004210200000000 ] - [ -0.0000863900000000, -0.0003264000000000, 0.0002717300000000 ] - [ -0.0000437500000000, 0.0001489700000000, -0.0002731800000000 ] - [ -0.0002429000000000, -0.0003030300000000, 0.0001404700000000 ] - [ 0.0001778900000000, -0.0003843400000000, -0.0001206400000000 ] - [ -0.0001223800000000, -0.0006571000000000, 0.0011417400000000 ] - [ -0.0000768200000000, -0.0002661800000000, -0.0001729900000000 ] - [ -0.0002814200000000, 0.0002152700000000, -0.0000835600000000 ] - [ -0.0002186200000000, 0.0000747500000000, -0.0000831900000000 ] - [ -0.0000688000000000, -0.0004043500000000, 0.0001347700000000 ] - [ 0.0001023900000000, -0.0003794500000000, -0.0001507000000000 ] - [ 0.0002116200000000, -0.0002143800000000, 0.0001453000000000 ] - [ -0.0002638100000000, -0.0001991100000000, -0.0001890100000000 ] - [ 0.0001424800000000, 0.0000633700000000, 0.0001245100000000 ] - [ 0.0009809000000000, 0.0001937200000000, -0.0008062800000000 ] - [ 0.0002088400000000, 0.0001821200000000, -0.0007365500000000 ] - [ 0.0006662300000000, 0.0015321100000000, 0.0010101100000000 ] - [ 0.0002006600000000, -0.0002280700000000, -0.0000606300000000 ] - [ 0.0000246200000000, 0.0205200400000000, -0.0023386000000000 ] - [ -0.0027051100000000, 0.0041163800000000, -0.0001542600000000 ] - [ 0.0067629200000000, 0.0049279100000000, -0.0075188500000000 ] - [ 0.0007438900000000, -0.0494320400000000, 0.0230595700000000 ] - [ 0.0003431600000000, -0.0003182000000000, 0.0001645900000000 ] - [ -0.0016854000000000, -0.0002231100000000, -0.0009102900000000 ] - [ -0.0002743700000000, -0.0000796700000000, 0.0001025200000000 ] - [ -0.0017055800000000, -0.0009217700000000, 0.0021765000000000 ] - [ 0.0004528900000000, 0.0000102200000000, -0.0000525700000000 ] - [ -0.0003249400000000, -0.0002798600000000, -0.0000964400000000 ] - [ -0.0000168100000000, 0.0001448400000000, -0.0000245100000000 ] - [ 0.0009594700000000, -0.0000401500000000, -0.0040066800000000 ] - [ -0.0000320000000000, 0.0001456900000000, 0.0001490200000000 ] - [ 0.0001659900000000, 0.0002748000000000, -0.0002302800000000 ] - [ 0.0003946000000000, -0.0018200200000000, -0.0018481100000000 ] - [ -0.0000564100000000, 0.0001610500000000, -0.0000873900000000 ] - [ -0.0006704200000000, -0.0001278500000000, -0.0004190500000000 ] - [ 0.0000675200000000, 0.0011051200000000, -0.0013267300000000 ] - [ -0.0105523700000000, -0.0021782200000000, 0.0123334900000000 ] - [ -0.0001155400000000, 0.0000146100000000, -0.0001370800000000 ] - [ 0.0002015300000000, 0.0001198000000000, -0.0003817100000000 ] - [ -0.0001931300000000, 0.0001687600000000, 0.0000229800000000 ] - [ -0.0003323900000000, -0.0000552500000000, -0.0000574400000000 ] - [ 0.0003434200000000, -0.0000888900000000, -0.0001363400000000 ] - [ 0.0004520000000000, -0.0001033900000000, -0.0002870000000000 ] - [ 0.0005864900000000, 0.0007371200000000, 0.0006407800000000 ] - [ 0.0001830000000000, 0.0002973700000000, 0.0000057400000000 ] - [ -0.0001298900000000, 0.0001422000000000, -0.0004279300000000 ] - [ -0.0000699400000000, 0.0002586800000000, 0.0004641600000000 ] - [ 0.0002471900000000, -0.0000744300000000, 0.0001202100000000 ] - [ -0.0001393500000000, -0.0000080100000000, -0.0002857600000000 ] - [ -0.0002291600000000, 0.0002055200000000, 0.0005439700000000 ] - [ 0.0001678900000000, -0.0004441600000000, -0.0000190000000000 ] - [ 0.0003668900000000, 0.0001310400000000, -0.0001393200000000 ] - [ 0.0002002100000000, -0.0002272600000000, 0.0000289400000000 ] - [ -0.0002808600000000, 0.0001356500000000, 0.0001769800000000 ] - [ -0.0000710700000000, 0.0000875400000000, -0.0000577800000000 ] - [ -0.0005127200000000, 0.0001125600000000, 0.0001802400000000 ] - [ 0.0008675000000000, -0.0000480200000000, 0.0009216800000000 ] - [ -0.0003700200000000, -0.0004184300000000, -0.0001160700000000 ] - [ -0.0000958700000000, 0.0001023000000000, -0.0000085400000000 ] - [ -0.0003361300000000, 0.0002873400000000, 0.0000114000000000 ] - [ -0.0002800900000000, -0.0000052300000000, 0.0002082300000000 ] - [ 0.0000526600000000, 0.0002720000000000, 0.0001396600000000 ] - [ -0.0002675900000000, -0.0002368700000000, -0.0001629300000000 ] - [ 0.0002326000000000, 0.0001923000000000, 0.0000269300000000 ] - [ -0.0005421100000000, -0.0000464500000000, -0.0001062800000000 ] - [ -0.0001097800000000, 0.0002132900000000, -0.0004282400000000 ] - [ -0.0000767800000000, 0.0000970500000000, -0.0000464200000000 ] - [ -0.0003264900000000, -0.0000797600000000, -0.0002422600000000 ] - [ -0.0000825800000000, 0.0000466400000000, -0.0000987600000000 ] - [ -0.0002894200000000, 0.0002260900000000, 0.0001015700000000 ] - [ -0.0005752400000000, -0.0001165200000000, -0.0002986800000000 ] - [ 0.0007902700000000, -0.0000422500000000, -0.0001381100000000 ] - [ 0.0001313400000000, 0.0000222900000000, -0.0001370700000000 ] - [ -0.0001415200000000, -0.0000284100000000, 0.0001985400000000 ]- atom: 60 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0040989500000000, -0.0073990300000000, -0.0051450600000000 ] - [ -0.0003392700000000, -0.0001930900000000, -0.0009031800000000 ] - [ 0.0005711900000000, -0.0001044100000000, -0.0010359800000000 ] - [ -0.0001825300000000, -0.0000372600000000, 0.0001450200000000 ] - [ -0.0000490400000000, -0.0002214200000000, -0.0001210800000000 ] - [ 0.0001083200000000, 0.0001009500000000, 0.0006212800000000 ] - [ -0.0034016600000000, 0.0071505200000000, -0.0024153400000000 ] - [ 0.0011536900000000, 0.0023967200000000, 0.0003182500000000 ] - [ -0.0001403600000000, 0.0004273200000000, -0.0000042000000000 ] - [ -0.0006408600000000, -0.0000927100000000, -0.0004094200000000 ] - [ -0.0002615200000000, 0.0003221100000000, -0.0007302000000000 ] - [ -0.0002649100000000, -0.0000096100000000, -0.0001061800000000 ] - [ 0.0005329500000000, 0.0000363900000000, -0.0003027200000000 ] - [ -0.0000786200000000, 0.0003550700000000, 0.0008981600000000 ] - [ 0.0001505200000000, -0.0000872100000000, 0.0002713200000000 ] - [ 0.0000864400000000, 0.0000331700000000, -0.0002903400000000 ] - [ 0.0003029300000000, -0.0000476300000000, 0.0000482500000000 ] - [ -0.0001781600000000, -0.0002741400000000, -0.0000776100000000 ] - [ 0.0002531200000000, -0.0002229200000000, 0.0000652800000000 ] - [ -0.0002862800000000, -0.0002553500000000, -0.0000713500000000 ] - [ 0.0044716800000000, 0.0034302100000000, -0.0002786400000000 ] - [ -0.0004498400000000, 0.0000099600000000, -0.0004771400000000 ] - [ -0.0104731800000000, -0.0290661100000000, 0.0290361000000000 ] - [ 0.0002752200000000, -0.0007382100000000, 0.0023728800000000 ] - [ -0.0002447800000000, 0.0005275100000000, 0.0000424900000000 ] - [ 0.0011586800000000, 0.0006045200000000, -0.0004952300000000 ] - [ 0.0002657000000000, -0.0000644400000000, 0.0000654400000000 ] - [ -0.0011279200000000, -0.0002812300000000, -0.0006258300000000 ] - [ -0.0007045900000000, 0.0004692000000000, 0.0001478600000000 ] - [ -0.0002963900000000, -0.0002225200000000, -0.0002267500000000 ] - [ -0.0001821500000000, -0.0005783200000000, 0.0004485100000000 ] - [ -0.0013009000000000, 0.0002286400000000, -0.0007951000000000 ] - [ 0.0003191700000000, 0.0000934800000000, 0.0004868000000000 ] - [ 0.0003134400000000, 0.0000616400000000, 0.0001660800000000 ] - [ -0.0006596200000000, 0.0005636900000000, -0.0000776300000000 ] - [ -0.0001482900000000, -0.0006265100000000, -0.0004774400000000 ] - [ 0.0005340400000000, -0.0003371600000000, 0.0004376700000000 ] - [ 0.0006303900000000, 0.0005916600000000, -0.0001424300000000 ] - [ -0.0005562300000000, 0.0001572000000000, -0.0005972100000000 ] - [ -0.0005815600000000, -0.0001413000000000, -0.0002274400000000 ] - [ -0.0002601800000000, -0.0000024300000000, 0.0001209900000000 ] - [ -0.0000057800000000, -0.0004854400000000, 0.0001652300000000 ] - [ 0.0000665500000000, -0.0004111300000000, -0.0001786100000000 ] - [ 0.0005289000000000, 0.0002082000000000, -0.0008509300000000 ] - [ -0.0003339600000000, -0.0001640400000000, -0.0001425800000000 ] - [ 0.0005906200000000, -0.0000752900000000, 0.0002220800000000 ] - [ -0.0000835200000000, 0.0000718000000000, -0.0000615400000000 ] - [ -0.0001764700000000, -0.0003818800000000, 0.0001745400000000 ] - [ 0.0001531300000000, -0.0004103300000000, -0.0001497600000000 ] - [ 0.0001921100000000, -0.0002185500000000, 0.0001730700000000 ] - [ -0.0001336700000000, -0.0002361800000000, -0.0001240400000000 ] - [ 0.0001584300000000, 0.0000820100000000, 0.0000263200000000 ] - [ -0.0004793700000000, 0.0004152700000000, 0.0007257300000000 ] - [ 0.0002242400000000, 0.0002169600000000, -0.0004646600000000 ] - [ -0.0006528000000000, -0.0010608000000000, -0.0000062000000000 ] - [ 0.0002914900000000, 0.0000938400000000, 0.0003892700000000 ] - [ -0.0002903900000000, -0.0205444800000000, 0.0018603100000000 ] - [ 0.0023279700000000, -0.0037856500000000, 0.0013743900000000 ] - [ -0.0062689300000000, -0.0058382900000000, 0.0073565800000000 ] - [ -0.0000924700000000, 0.0504392600000000, -0.0238594300000000 ] - [ 0.0001919100000000, -0.0001461900000000, 0.0000693700000000 ] - [ 0.0013238500000000, 0.0004658500000000, 0.0014646800000000 ] - [ 0.0003896600000000, 0.0002626000000000, -0.0000578300000000 ] - [ 0.0008932700000000, 0.0011720400000000, -0.0018792600000000 ] - [ 0.0004467500000000, -0.0000202800000000, 0.0000742000000000 ] - [ -0.0000635800000000, -0.0005944200000000, 0.0000829300000000 ] - [ 0.0000454200000000, 0.0001416300000000, 0.0001853900000000 ] - [ -0.0014726900000000, 0.0006426200000000, 0.0040974800000000 ] - [ -0.0003131000000000, -0.0002755900000000, 0.0005634000000000 ] - [ 0.0002369600000000, 0.0001780400000000, -0.0001967600000000 ] - [ -0.0009460300000000, 0.0013962500000000, 0.0016696200000000 ] - [ 0.0000276900000000, 0.0001256500000000, -0.0000750300000000 ] - [ -0.0002279500000000, 0.0001189400000000, 0.0004031700000000 ] - [ -0.0001007200000000, -0.0006495900000000, 0.0003551300000000 ] - [ 0.0105034600000000, 0.0024367300000000, -0.0123677800000000 ] - [ -0.0003822700000000, -0.0001583900000000, -0.0001830600000000 ] - [ 0.0001750600000000, 0.0001131300000000, -0.0001590600000000 ] - [ -0.0002092000000000, 0.0002855100000000, 0.0004031500000000 ] - [ -0.0003850600000000, -0.0001277700000000, 0.0002227800000000 ] - [ 0.0003764400000000, -0.0000951300000000, -0.0000306000000000 ] - [ -0.0001240300000000, -0.0000226200000000, -0.0004325600000000 ] - [ -0.0004892900000000, -0.0007620900000000, -0.0001068900000000 ] - [ 0.0003352400000000, 0.0002819600000000, -0.0000933700000000 ] - [ 0.0005730300000000, 0.0002586300000000, -0.0007818500000000 ] - [ 0.0000888900000000, 0.0002109500000000, 0.0005215500000000 ] - [ 0.0002462100000000, -0.0000662600000000, 0.0002024300000000 ] - [ 0.0000374200000000, -0.0000060900000000, -0.0002461800000000 ] - [ -0.0002120900000000, 0.0001949800000000, 0.0006653700000000 ] - [ 0.0002177900000000, -0.0004305800000000, 0.0000361600000000 ] - [ 0.0004373200000000, 0.0001155200000000, -0.0001450700000000 ] - [ 0.0003409000000000, -0.0002372800000000, 0.0002003700000000 ] - [ -0.0001016600000000, 0.0000980200000000, 0.0003668600000000 ] - [ 0.0001919700000000, 0.0000965500000000, 0.0000985200000000 ] - [ -0.0002909300000000, 0.0001341000000000, 0.0001054500000000 ] - [ 0.0000335500000000, 0.0000491600000000, -0.0009138400000000 ] - [ -0.0000136300000000, -0.0004566400000000, 0.0001007600000000 ] - [ 0.0001226000000000, 0.0001832000000000, 0.0001730600000000 ] - [ -0.0001818900000000, 0.0002915200000000, 0.0000777600000000 ] - [ -0.0000655300000000, -0.0001246900000000, 0.0005069300000000 ] - [ 0.0003459700000000, 0.0001804100000000, -0.0005683200000000 ] - [ -0.0002712100000000, -0.0002281700000000, -0.0000654400000000 ] - [ -0.0002696800000000, 0.0001005400000000, -0.0001879500000000 ] - [ -0.0003630400000000, 0.0000393000000000, 0.0000893600000000 ] - [ 0.0000911600000000, 0.0002562300000000, -0.0005564900000000 ] - [ -0.0000425300000000, 0.0000870100000000, 0.0000068800000000 ] - [ -0.0001639100000000, -0.0000599600000000, -0.0000800300000000 ] - [ 0.0004678500000000, 0.0001870200000000, -0.0004482300000000 ] - [ -0.0001150700000000, 0.0002285100000000, 0.0003281200000000 ] - [ -0.0001429800000000, -0.0000659900000000, 0.0004804000000000 ] - [ -0.0000832500000000, -0.0001388900000000, -0.0000219200000000 ] - [ 0.0002126000000000, -0.0001528400000000, -0.0005767400000000 ] - [ 0.0002447000000000, 0.0000146400000000, 0.0003343300000000 ]- atom: 60 displacement: [ -0.0057565208649526, 0.0000000000000000, 0.0081769473235044 ] forces: - [ -0.0125509000000000, 0.0043622100000000, 0.0121028500000000 ] - [ 0.0055732000000000, 0.0002807200000000, -0.0017993700000000 ] - [ -0.0074982900000000, -0.0002760200000000, -0.0009735800000000 ] - [ 0.0028633900000000, 0.0000170000000000, -0.0037852100000000 ] - [ -0.0006862400000000, -0.0001238000000000, 0.0002479300000000 ] - [ 0.0042551200000000, -0.0001910700000000, 0.0034895000000000 ] - [ -0.0176518100000000, 0.0022682300000000, 0.0178531100000000 ] - [ 0.0097575600000000, -0.0024557500000000, -0.0061872300000000 ] - [ 0.0008274400000000, 0.0003255700000000, -0.0000394800000000 ] - [ 0.0004885200000000, -0.0004304000000000, 0.0008915700000000 ] - [ 0.0013606400000000, 0.0002074900000000, -0.0021081800000000 ] - [ -0.0017744800000000, -0.0001084800000000, 0.0007503600000000 ] - [ 0.0040212800000000, 0.0004068100000000, -0.0044327800000000 ] - [ 0.0028063000000000, 0.0008608800000000, 0.0018213200000000 ] - [ 0.0020624800000000, -0.0000095500000000, 0.0001938900000000 ] - [ 0.0008753100000000, -0.0001687900000000, 0.0004480300000000 ] - [ -0.0009929900000000, -0.0009676400000000, 0.0002426700000000 ] - [ -0.0000800800000000, -0.0002151700000000, -0.0008168400000000 ] - [ 0.0003810900000000, -0.0001128300000000, -0.0003339100000000 ] - [ -0.0006021200000000, -0.0005783900000000, -0.0004720700000000 ] - [ 0.0047033400000000, 0.0048404000000000, 0.0120483100000000 ] - [ 0.0025709300000000, -0.0002775400000000, -0.0013502500000000 ] - [ -0.0746445000000000, -0.0277928000000000, 0.1620797300000000 ] - [ 0.0039834600000000, -0.0002067900000000, 0.0084278400000000 ] - [ 0.0033399400000000, -0.0000214500000000, -0.0042238500000000 ] - [ -0.0030424100000000, 0.0018296400000000, -0.0053732600000000 ] - [ 0.0005987800000000, 0.0007833500000000, 0.0030425200000000 ] - [ -0.0028031700000000, -0.0013099900000000, -0.0065243200000000 ] - [ 0.0032718300000000, -0.0005970700000000, -0.0062711900000000 ] - [ -0.0023702600000000, 0.0006496900000000, -0.0021309100000000 ] - [ 0.0020544600000000, -0.0010254500000000, 0.0005484600000000 ] - [ -0.0022207600000000, 0.0008692700000000, 0.0021465400000000 ] - [ 0.0013071200000000, 0.0002254100000000, 0.0001434300000000 ] - [ 0.0027057000000000, 0.0002599400000000, 0.0006238400000000 ] - [ -0.0024825000000000, 0.0005281700000000, 0.0009679300000000 ] - [ 0.0004786100000000, -0.0004597400000000, -0.0009591600000000 ] - [ 0.0036605100000000, -0.0002297300000000, -0.0006404500000000 ] - [ 0.0009965200000000, 0.0007261000000000, -0.0007997800000000 ] - [ -0.0008183300000000, 0.0001356700000000, -0.0003222900000000 ] - [ -0.0006180700000000, 0.0003821700000000, -0.0030465900000000 ] - [ 0.0005031100000000, -0.0004665600000000, 0.0014339700000000 ] - [ 0.0007909800000000, -0.0003342900000000, 0.0010614500000000 ] - [ -0.0004393800000000, -0.0006989800000000, 0.0005339400000000 ] - [ 0.0031093900000000, 0.0003056700000000, 0.0008810900000000 ] - [ -0.0014479200000000, -0.0001249200000000, 0.0022233600000000 ] - [ 0.0009368500000000, -0.0001728600000000, -0.0025737700000000 ] - [ -0.0001680000000000, 0.0001139100000000, 0.0004285900000000 ] - [ -0.0003080600000000, -0.0003043200000000, 0.0005545000000000 ] - [ 0.0010489400000000, -0.0000987300000000, -0.0003117600000000 ] - [ -0.0002245500000000, -0.0002958200000000, 0.0005876000000000 ] - [ 0.0002321900000000, -0.0003320300000000, -0.0002511400000000 ] - [ -0.0006596200000000, 0.0001463100000000, 0.0004443900000000 ] - [ -0.0082657800000000, -0.0041262600000000, -0.0021994900000000 ] - [ -0.0017905400000000, -0.0004978500000000, 0.0000561700000000 ] - [ 0.0042673500000000, 0.0015146400000000, 0.0012965900000000 ] - [ 0.0002253500000000, 0.0009107200000000, 0.0027737400000000 ] - [ 0.0013211000000000, 0.0018022700000000, -0.0053840000000000 ] - [ 0.0026337300000000, -0.0004233900000000, -0.0037981900000000 ] - [ -0.0073759300000000, -0.0136499800000000, -0.0076988100000000 ] - [ 0.1319090100000000, 0.0175805300000000, -0.2124235200000000 ] - [ -0.0010194100000000, -0.0004818400000000, 0.0025385000000000 ] - [ 0.0015128700000000, -0.0001079900000000, -0.0016352700000000 ] - [ -0.0025499000000000, -0.0007989700000000, 0.0019631600000000 ] - [ -0.0058373800000000, -0.0022985900000000, 0.0084679300000000 ] - [ -0.0007358500000000, -0.0000058400000000, -0.0003911700000000 ] - [ -0.0019855300000000, 0.0002336200000000, 0.0009673800000000 ] - [ 0.0013232600000000, 0.0006394200000000, 0.0004894800000000 ] - [ 0.0033841500000000, -0.0071519400000000, 0.0130298200000000 ] - [ 0.0027431400000000, -0.0003409900000000, 0.0022406000000000 ] - [ -0.0001984300000000, 0.0005061900000000, -0.0013659900000000 ] - [ -0.0019059700000000, 0.0048506700000000, 0.0086278600000000 ] - [ -0.0004613600000000, 0.0002330200000000, -0.0007677500000000 ] - [ 0.0009536900000000, -0.0008486000000000, -0.0008631700000000 ] - [ -0.0028545000000000, 0.0011401000000000, -0.0031396700000000 ] - [ -0.0220989600000000, 0.0132875800000000, 0.0086074500000000 ] - [ -0.0016214000000000, -0.0010422000000000, 0.0011488200000000 ] - [ -0.0022125600000000, 0.0000630200000000, -0.0010196200000000 ] - [ 0.0009944200000000, 0.0000983200000000, 0.0004621500000000 ] - [ -0.0000555800000000, -0.0004846000000000, 0.0005515500000000 ] - [ 0.0008338100000000, -0.0006032200000000, -0.0011314500000000 ] - [ -0.0015530900000000, -0.0006833200000000, -0.0028650300000000 ] - [ -0.0004663400000000, 0.0071052800000000, 0.0050515300000000 ] - [ -0.0004906900000000, 0.0004465600000000, -0.0001749500000000 ] - [ 0.0006753200000000, 0.0004047300000000, -0.0022327100000000 ] - [ -0.0005381900000000, 0.0003964700000000, 0.0008654100000000 ] - [ 0.0001467500000000, -0.0000905700000000, 0.0001354700000000 ] - [ -0.0013190000000000, 0.0001930200000000, -0.0006046400000000 ] - [ -0.0013961800000000, 0.0003981800000000, 0.0012665300000000 ] - [ -0.0004613000000000, -0.0005603100000000, -0.0001312000000000 ] - [ -0.0002783200000000, 0.0001463100000000, 0.0004287800000000 ] - [ 0.0009291700000000, -0.0002351300000000, -0.0000905600000000 ] - [ -0.0014825300000000, 0.0004133700000000, 0.0002628400000000 ] - [ 0.0005305800000000, 0.0002184400000000, -0.0004321700000000 ] - [ -0.0004208200000000, 0.0000292600000000, -0.0001020900000000 ] - [ -0.0031818400000000, 0.0013003500000000, -0.0032111700000000 ] - [ 0.0001962800000000, -0.0005233200000000, -0.0003016400000000 ] - [ -0.0003268100000000, -0.0003602600000000, 0.0015396300000000 ] - [ -0.0006682000000000, 0.0001944300000000, 0.0003975000000000 ] - [ -0.0005223000000000, -0.0006784300000000, 0.0016885600000000 ] - [ -0.0026650700000000, -0.0006037000000000, -0.0002557100000000 ] - [ -0.0003596500000000, -0.0001428000000000, 0.0000020300000000 ] - [ -0.0031911900000000, 0.0022752500000000, 0.0008205200000000 ] - [ -0.0016684600000000, 0.0005805200000000, 0.0008580800000000 ] - [ -0.0007390700000000, -0.0001170300000000, -0.0006442500000000 ] - [ -0.0006460300000000, 0.0001849400000000, 0.0000086600000000 ] - [ 0.0005361700000000, 0.0002349300000000, -0.0001572700000000 ] - [ -0.0015490700000000, -0.0007018000000000, -0.0025943400000000 ] - [ -0.0008390900000000, 0.0006934000000000, 0.0016989200000000 ] - [ -0.0017434300000000, -0.0007627600000000, 0.0044420600000000 ] - [ -0.0033792900000000, 0.0004353500000000, 0.0032877000000000 ] - [ -0.0013293300000000, -0.0003493800000000, -0.0010298700000000 ] - [ -0.0004123500000000, 0.0000225300000000, 0.0001789500000000 ]- atom: 60 displacement: [ 0.0057565208649526, 0.0000000000000000, -0.0081769473235044 ] forces: - [ 0.0114890400000000, -0.0028715800000000, -0.0108569900000000 ] - [ -0.0060628500000000, -0.0004235300000000, 0.0011140300000000 ] - [ 0.0072257700000000, 0.0008742600000000, -0.0002132500000000 ] - [ -0.0030799200000000, 0.0000512000000000, 0.0042031600000000 ] - [ 0.0006771600000000, -0.0003283400000000, -0.0002507400000000 ] - [ -0.0040188100000000, 0.0007873900000000, -0.0022355500000000 ] - [ 0.0183109800000000, -0.0025202100000000, -0.0170651400000000 ] - [ -0.0095313800000000, 0.0025314300000000, 0.0057933800000000 ] - [ -0.0008261500000000, 0.0005441100000000, 0.0000353500000000 ] - [ -0.0010058300000000, 0.0002865500000000, -0.0015991400000000 ] - [ -0.0015892100000000, 0.0003899900000000, 0.0008814700000000 ] - [ 0.0015323400000000, 0.0001761200000000, -0.0003196500000000 ] - [ -0.0040103700000000, -0.0008523600000000, 0.0044322500000000 ] - [ -0.0025693600000000, -0.0002614700000000, -0.0006071300000000 ] - [ -0.0015385600000000, -0.0001338000000000, 0.0005109500000000 ] - [ -0.0006492000000000, 0.0002373900000000, -0.0008729100000000 ] - [ 0.0015008700000000, 0.0005594200000000, -0.0001441300000000 ] - [ -0.0004184100000000, -0.0002581600000000, 0.0007170000000000 ] - [ 0.0001166200000000, -0.0002882800000000, 0.0004252100000000 ] - [ 0.0001055400000000, 0.0001066400000000, 0.0003713900000000 ] - [ -0.0050660400000000, -0.0060366000000000, -0.0112373000000000 ] - [ -0.0031823000000000, 0.0003259300000000, 0.0007857400000000 ] - [ 0.0800510100000000, 0.0305994900000000, -0.1714517500000000 ] - [ -0.0033240900000000, 0.0002525600000000, -0.0079170700000000 ] - [ -0.0044036400000000, 0.0011663700000000, 0.0042529500000000 ] - [ 0.0031892200000000, -0.0030142700000000, 0.0046353400000000 ] - [ 0.0000507600000000, -0.0012554300000000, -0.0031025700000000 ] - [ 0.0038956800000000, 0.0024473000000000, 0.0064697200000000 ] - [ -0.0039428500000000, 0.0007940000000000, 0.0052267600000000 ] - [ 0.0016904500000000, -0.0011170400000000, 0.0021788700000000 ] - [ -0.0022490300000000, -0.0001526200000000, 0.0002024100000000 ] - [ 0.0016135800000000, -0.0008174700000000, -0.0027037600000000 ] - [ -0.0006130600000000, -0.0000215900000000, 0.0008719600000000 ] - [ -0.0020797500000000, -0.0002121200000000, -0.0000448000000000 ] - [ 0.0014031200000000, 0.0006173400000000, -0.0009328300000000 ] - [ -0.0002800100000000, -0.0007170000000000, 0.0001994500000000 ] - [ -0.0029968700000000, -0.0002454500000000, 0.0005767900000000 ] - [ 0.0000694800000000, 0.0004219900000000, 0.0007587400000000 ] - [ 0.0001222300000000, 0.0000676800000000, -0.0006979900000000 ] - [ -0.0000386700000000, -0.0008519000000000, 0.0030978100000000 ] - [ -0.0008121200000000, 0.0006194100000000, -0.0015807300000000 ] - [ -0.0010489400000000, -0.0004566100000000, -0.0007508800000000 ] - [ 0.0006975200000000, -0.0001009300000000, -0.0008367100000000 ] - [ -0.0027209600000000, -0.0007275500000000, -0.0005476700000000 ] - [ 0.0010439400000000, -0.0003110700000000, -0.0025302300000000 ] - [ -0.0006045800000000, 0.0003194700000000, 0.0027264800000000 ] - [ -0.0001468700000000, 0.0000407000000000, -0.0005777000000000 ] - [ 0.0000534100000000, -0.0004859300000000, -0.0002403400000000 ] - [ -0.0007936900000000, -0.0006946700000000, 0.0000083300000000 ] - [ 0.0006261700000000, -0.0001416800000000, -0.0002738100000000 ] - [ -0.0006334300000000, -0.0001046800000000, -0.0000605100000000 ] - [ 0.0009749900000000, 0.0000090300000000, -0.0002913300000000 ] - [ 0.0087110400000000, 0.0046446400000000, 0.0020688400000000 ] - [ 0.0022228600000000, 0.0008943000000000, -0.0012680800000000 ] - [ -0.0042087600000000, -0.0010383600000000, -0.0003352100000000 ] - [ 0.0002547100000000, -0.0010400600000000, -0.0024603200000000 ] - [ -0.0013030600000000, -0.0017784300000000, 0.0047633600000000 ] - [ -0.0031444700000000, 0.0008606100000000, 0.0049830900000000 ] - [ 0.0077953100000000, 0.0128885400000000, 0.0078278800000000 ] - [ -0.1352324600000000, -0.0203572300000000, 0.2211444700000000 ] - [ 0.0015568700000000, 0.0000148600000000, -0.0023043300000000 ] - [ -0.0019238600000000, 0.0003384400000000, 0.0021474400000000 ] - [ 0.0026529300000000, 0.0009762100000000, -0.0019186000000000 ] - [ 0.0049934100000000, 0.0025140500000000, -0.0081217800000000 ] - [ 0.0016384000000000, -0.0000025300000000, 0.0004098900000000 ] - [ 0.0015890200000000, -0.0011031000000000, -0.0009840900000000 ] - [ -0.0012852900000000, -0.0003540800000000, -0.0003285100000000 ] - [ -0.0038386800000000, 0.0076587800000000, -0.0128086700000000 ] - [ -0.0030685500000000, 0.0002099000000000, -0.0015281900000000 ] - [ 0.0006072200000000, -0.0000477000000000, 0.0009384100000000 ] - [ 0.0013596100000000, -0.0053228600000000, -0.0088759200000000 ] - [ 0.0004404800000000, 0.0000467200000000, 0.0006098700000000 ] - [ -0.0018533500000000, 0.0008329100000000, 0.0008303300000000 ] - [ 0.0028400600000000, -0.0006362500000000, 0.0020994100000000 ] - [ 0.0223922400000000, -0.0133188800000000, -0.0087883400000000 ] - [ 0.0011276800000000, 0.0009007300000000, -0.0014712100000000 ] - [ 0.0025828100000000, 0.0001713100000000, 0.0004675400000000 ] - [ -0.0013908900000000, 0.0003542600000000, -0.0000431400000000 ] - [ -0.0006577300000000, 0.0003022100000000, -0.0003817500000000 ] - [ -0.0001117200000000, 0.0004220400000000, 0.0009624600000000 ] - [ 0.0019169000000000, 0.0005480300000000, 0.0021547200000000 ] - [ 0.0005709000000000, -0.0070172500000000, -0.0044680400000000 ] - [ 0.0010100400000000, 0.0001306800000000, 0.0000911000000000 ] - [ -0.0002442300000000, -0.0000059200000000, 0.0010339000000000 ] - [ 0.0005526900000000, 0.0000759400000000, 0.0001199300000000 ] - [ 0.0003477300000000, -0.0000501900000000, 0.0001893100000000 ] - [ 0.0012171700000000, -0.0002072300000000, 0.0000729900000000 ] - [ 0.0009571500000000, 0.0000010000000000, -0.0000637600000000 ] - [ 0.0008459400000000, -0.0003155400000000, 0.0001470700000000 ] - [ 0.0010844600000000, 0.0001015900000000, -0.0007172700000000 ] - [ -0.0003837100000000, -0.0002316800000000, 0.0003208600000000 ] - [ 0.0010981200000000, -0.0001787800000000, 0.0002761200000000 ] - [ -0.0004097500000000, -0.0000319700000000, 0.0004713400000000 ] - [ -0.0003873600000000, 0.0002183500000000, 0.0003941900000000 ] - [ 0.0040959400000000, -0.0013215800000000, 0.0032533000000000 ] - [ -0.0005809700000000, -0.0003539500000000, 0.0002846200000000 ] - [ 0.0003488500000000, 0.0006389400000000, -0.0013800000000000 ] - [ 0.0001460500000000, 0.0003813200000000, -0.0003089200000000 ] - [ 0.0001729800000000, 0.0005465000000000, -0.0009821300000000 ] - [ 0.0030733600000000, 0.0010599200000000, -0.0001622900000000 ] - [ -0.0001790700000000, -0.0003230000000000, -0.0002300700000000 ] - [ 0.0031649800000000, -0.0019956000000000, -0.0009783000000000 ] - [ 0.0007596800000000, -0.0005907800000000, -0.0008835800000000 ] - [ 0.0007213700000000, 0.0005883300000000, -0.0003365500000000 ] - [ 0.0005266700000000, -0.0000005100000000, -0.0000494500000000 ] - [ -0.0010214600000000, -0.0003716100000000, -0.0001650200000000 ] - [ 0.0019226500000000, 0.0009354400000000, 0.0020597000000000 ] - [ 0.0004302900000000, -0.0002358600000000, -0.0012749800000000 ] - [ 0.0010153000000000, 0.0005796300000000, -0.0042692900000000 ] - [ 0.0040909700000000, -0.0006127200000000, -0.0034522700000000 ] - [ 0.0016758100000000, 0.0002197300000000, 0.0003306300000000 ] - [ 0.0005117800000000, -0.0000357000000000, 0.0003543400000000 ]- atom: 61 displacement: [ 0.0099999987502926, 0.0000000000000000, -0.0000049994145799 ] forces: - [ 0.0002055000000000, 0.0003126100000000, 0.0023366500000000 ] - [ 0.0025517800000000, -0.0001043500000000, 0.0002881100000000 ] - [ -0.0013297000000000, 0.0003807000000000, 0.0008292100000000 ] - [ 0.0084523900000000, 0.0010315000000000, -0.0038948000000000 ] - [ -0.0018517800000000, -0.0001956700000000, -0.0002397100000000 ] - [ 0.0002515900000000, 0.0001251100000000, 0.0004907000000000 ] - [ 0.0004410600000000, -0.0001842500000000, 0.0022956500000000 ] - [ 0.0033093800000000, 0.0003819700000000, 0.0017389700000000 ] - [ -0.0007633300000000, 0.0003436600000000, -0.0014947700000000 ] - [ -0.0010592800000000, -0.0000584100000000, -0.0010087300000000 ] - [ -0.0015042500000000, 0.0005498900000000, -0.0029157800000000 ] - [ -0.0017427300000000, -0.0000322000000000, 0.0003110500000000 ] - [ 0.0089958800000000, 0.0040997300000000, 0.0006051200000000 ] - [ 0.0008698900000000, 0.0004395900000000, -0.0000366500000000 ] - [ -0.0007602200000000, -0.0000998700000000, -0.0015500200000000 ] - [ -0.0013256300000000, 0.0001196300000000, -0.0011626900000000 ] - [ -0.0000328000000000, -0.0001548700000000, 0.0001766100000000 ] - [ -0.0001742400000000, -0.0004404500000000, -0.0000198300000000 ] - [ 0.0001526800000000, 0.0001854600000000, -0.0006633500000000 ] - [ -0.0004945000000000, -0.0002378100000000, -0.0001416100000000 ] - [ -0.0002807400000000, -0.0003792100000000, 0.0017082200000000 ] - [ 0.0012483500000000, -0.0014005400000000, -0.0022953900000000 ] - [ 0.0004288200000000, 0.0003241300000000, 0.0028528900000000 ] - [ 0.0006980600000000, -0.0001260800000000, 0.0009825600000000 ] - [ 0.0715843800000000, -0.0540498200000000, 0.0554417800000000 ] - [ -0.0005577000000000, -0.0008452300000000, 0.0026851900000000 ] - [ -0.0006441500000000, -0.0001263300000000, -0.0002295900000000 ] - [ -0.0024318300000000, -0.0001548900000000, 0.0050625600000000 ] - [ 0.0124796200000000, 0.0012298300000000, 0.0009198000000000 ] - [ -0.0021869200000000, -0.0004176700000000, 0.0004702600000000 ] - [ -0.0002417300000000, -0.0007994400000000, -0.0012497300000000 ] - [ -0.0009521800000000, 0.0001075700000000, 0.0000684500000000 ] - [ -0.0006149400000000, -0.0001747500000000, -0.0010031900000000 ] - [ 0.0001349700000000, 0.0002947200000000, -0.0009790800000000 ] - [ -0.0021764000000000, 0.0004605100000000, 0.0000258700000000 ] - [ -0.0019787600000000, -0.0009272500000000, -0.0018091900000000 ] - [ 0.0035318400000000, -0.0008968700000000, -0.0012366600000000 ] - [ -0.0019097600000000, 0.0008158000000000, -0.0004843000000000 ] - [ -0.0013388600000000, 0.0001963400000000, -0.0008086500000000 ] - [ -0.0048997800000000, 0.0001385200000000, -0.0036440100000000 ] - [ 0.0008577100000000, -0.0000325900000000, -0.0012808500000000 ] - [ 0.0005358500000000, -0.0006533400000000, -0.0000011200000000 ] - [ 0.0024251000000000, 0.0000141000000000, 0.0018027300000000 ] - [ 0.0014031900000000, -0.0000067100000000, -0.0018734900000000 ] - [ 0.0041574700000000, -0.0035605600000000, -0.0025696500000000 ] - [ 0.0004337500000000, 0.0000178600000000, -0.0002761300000000 ] - [ 0.0005612100000000, 0.0001465100000000, 0.0001963400000000 ] - [ 0.0007968100000000, -0.0005299600000000, 0.0002889100000000 ] - [ 0.0006444300000000, -0.0002964700000000, -0.0001832400000000 ] - [ 0.0007900300000000, 0.0000663800000000, 0.0008630000000000 ] - [ 0.0003153800000000, -0.0003714300000000, -0.0002517400000000 ] - [ -0.0000348600000000, 0.0003332700000000, 0.0010748500000000 ] - [ 0.0000691900000000, -0.0001350800000000, -0.0009541600000000 ] - [ -0.0008570500000000, -0.0000251100000000, 0.0001182800000000 ] - [ 0.0002157300000000, -0.0000898300000000, -0.0008189300000000 ] - [ 0.0020577500000000, -0.0039971900000000, -0.0016693800000000 ] - [ -0.0003544500000000, 0.0002534400000000, -0.0011309400000000 ] - [ -0.0000475600000000, 0.0003375900000000, -0.0000866900000000 ] - [ -0.0003064000000000, -0.0006396300000000, -0.0007965900000000 ] - [ 0.0006468900000000, 0.0001989100000000, -0.0015458400000000 ] - [ -0.0890951300000000, 0.0470531800000000, -0.0395530000000000 ] - [ -0.0000767000000000, -0.0000959100000000, -0.0002158700000000 ] - [ -0.0052863900000000, -0.0005834300000000, 0.0040917400000000 ] - [ -0.0015364500000000, -0.0005455000000000, -0.0026400300000000 ] - [ 0.0007158500000000, -0.0002860500000000, 0.0005905000000000 ] - [ -0.0049163300000000, 0.0013102200000000, -0.0005700000000000 ] - [ 0.0011207300000000, 0.0006027700000000, 0.0001557100000000 ] - [ -0.0001149100000000, 0.0008029800000000, -0.0012980400000000 ] - [ 0.0004431800000000, -0.0000067800000000, 0.0000391700000000 ] - [ 0.0006070600000000, 0.0003373600000000, -0.0000386500000000 ] - [ -0.0005943600000000, -0.0002913800000000, -0.0027098700000000 ] - [ 0.0007866900000000, -0.0001520100000000, 0.0002081600000000 ] - [ 0.0000565400000000, -0.0001842600000000, -0.0001452100000000 ] - [ -0.0003665300000000, 0.0004101400000000, -0.0009388500000000 ] - [ -0.0003134500000000, 0.0003036700000000, -0.0009851600000000 ] - [ -0.0152903200000000, -0.0002174600000000, -0.0068977700000000 ] - [ -0.0000846300000000, 0.0003161100000000, 0.0000786900000000 ] - [ 0.0005928000000000, -0.0000597400000000, -0.0001195500000000 ] - [ 0.0006010200000000, 0.0000017700000000, -0.0000332300000000 ] - [ 0.0011576900000000, -0.0002164700000000, -0.0000886000000000 ] - [ 0.0003239700000000, 0.0000636900000000, -0.0001776300000000 ] - [ -0.0009556300000000, -0.0002642800000000, -0.0010237800000000 ] - [ 0.0003181000000000, 0.0005179200000000, 0.0006795900000000 ] - [ 0.0004070700000000, 0.0003701000000000, -0.0006145500000000 ] - [ 0.0005994200000000, 0.0001052300000000, 0.0012455500000000 ] - [ 0.0015169900000000, -0.0004923000000000, 0.0007124700000000 ] - [ 0.0006124900000000, -0.0001757800000000, 0.0005087200000000 ] - [ -0.0002437400000000, 0.0000553600000000, 0.0016566200000000 ] - [ 0.0008492800000000, -0.0001735600000000, 0.0007805300000000 ] - [ 0.0005267000000000, 0.0000530800000000, 0.0007442600000000 ] - [ 0.0010890700000000, -0.0003660500000000, 0.0002661700000000 ] - [ 0.0003902400000000, 0.0005019100000000, 0.0015139100000000 ] - [ 0.0006329300000000, 0.0003284300000000, 0.0000876200000000 ] - [ -0.0000242300000000, 0.0001214400000000, 0.0002997800000000 ] - [ -0.0000000100000000, 0.0001640200000000, -0.0005562300000000 ] - [ 0.0003778700000000, -0.0006401700000000, 0.0001773200000000 ] - [ 0.0038179100000000, 0.0002786300000000, 0.0003038700000000 ] - [ 0.0003467400000000, 0.0001763700000000, 0.0008786300000000 ] - [ 0.0010930500000000, -0.0010139700000000, 0.0027802900000000 ] - [ -0.0009566600000000, -0.0001996800000000, -0.0003133300000000 ] - [ 0.0008009500000000, 0.0000037900000000, 0.0005215100000000 ] - [ -0.0031960300000000, 0.0007523200000000, -0.0016985700000000 ] - [ -0.0003879800000000, 0.0016381400000000, 0.0049873000000000 ] - [ 0.0000919300000000, 0.0002035200000000, 0.0002399400000000 ] - [ 0.0004426200000000, -0.0001177500000000, 0.0006802900000000 ] - [ 0.0007145500000000, 0.0003114700000000, 0.0001051200000000 ] - [ 0.0001110900000000, -0.0000645000000000, -0.0002756000000000 ] - [ 0.0011976700000000, 0.0002797700000000, 0.0020681700000000 ] - [ 0.0123403900000000, 0.0024296700000000, -0.0043116600000000 ] - [ -0.0105033800000000, 0.0055620500000000, -0.0054186900000000 ] - [ -0.0003326500000000, -0.0000504400000000, -0.0002066100000000 ] - [ 0.0011987700000000, 0.0003809500000000, 0.0011015700000000 ]- atom: 61 displacement: [ -0.0099999987502926, 0.0000000000000000, 0.0000049994145799 ] forces: - [ -0.0001976500000000, 0.0005579800000000, -0.0023501400000000 ] - [ -0.0030771900000000, -0.0000540800000000, -0.0010068600000000 ] - [ 0.0010962300000000, 0.0002188000000000, -0.0020584700000000 ] - [ -0.0089079800000000, -0.0012409200000000, 0.0041012300000000 ] - [ 0.0018597800000000, -0.0002523100000000, 0.0002398000000000 ] - [ -0.0000159200000000, 0.0004758200000000, 0.0007312700000000 ] - [ 0.0000791900000000, 0.0000408000000000, -0.0015975500000000 ] - [ -0.0031083700000000, -0.0003271800000000, -0.0021601400000000 ] - [ 0.0007658200000000, 0.0005223300000000, 0.0015022600000000 ] - [ 0.0005407800000000, -0.0000854700000000, 0.0003085300000000 ] - [ 0.0012704400000000, 0.0000490600000000, 0.0017040000000000 ] - [ 0.0015149900000000, 0.0000995800000000, 0.0001123400000000 ] - [ -0.0092888500000000, -0.0043077900000000, -0.0002806300000000 ] - [ -0.0006351600000000, 0.0001590000000000, 0.0012671800000000 ] - [ 0.0012843000000000, -0.0000439800000000, 0.0022625800000000 ] - [ 0.0015662500000000, -0.0000523700000000, 0.0007410600000000 ] - [ 0.0005305600000000, -0.0002518200000000, -0.0000755900000000 ] - [ -0.0003521400000000, -0.0000263200000000, -0.0000874100000000 ] - [ 0.0003223700000000, -0.0005876000000000, 0.0007533000000000 ] - [ 0.0000006500000000, -0.0002375500000000, 0.0000400700000000 ] - [ 0.0000925300000000, -0.0008000300000000, -0.0009618300000000 ] - [ -0.0018838800000000, 0.0014545100000000, 0.0017341000000000 ] - [ 0.0002645500000000, -0.0001211000000000, -0.0018512400000000 ] - [ -0.0000782500000000, 0.0001740200000000, -0.0004131200000000 ] - [ -0.0720612800000000, 0.0536016900000000, -0.0538123700000000 ] - [ 0.0007488200000000, -0.0003339600000000, -0.0034359900000000 ] - [ 0.0013139100000000, -0.0003472800000000, 0.0001723300000000 ] - [ 0.0034913700000000, 0.0013096700000000, -0.0051367200000000 ] - [ -0.0131522800000000, -0.0009506200000000, -0.0020891000000000 ] - [ 0.0015281000000000, -0.0000537000000000, -0.0004183700000000 ] - [ 0.0000501100000000, -0.0003779000000000, 0.0020121300000000 ] - [ 0.0003304800000000, -0.0000601500000000, -0.0006384500000000 ] - [ 0.0013141500000000, 0.0003800300000000, 0.0020254200000000 ] - [ 0.0004861900000000, -0.0002484200000000, 0.0015523400000000 ] - [ 0.0011128500000000, 0.0006869400000000, 0.0000099400000000 ] - [ 0.0021817300000000, -0.0002479500000000, 0.0010613100000000 ] - [ -0.0028582400000000, 0.0004542000000000, 0.0011935100000000 ] - [ 0.0029924200000000, 0.0003307500000000, 0.0004472200000000 ] - [ 0.0006470500000000, 0.0000073100000000, -0.0002052500000000 ] - [ 0.0042558600000000, -0.0006142500000000, 0.0037316600000000 ] - [ -0.0011672100000000, 0.0001853700000000, 0.0011169600000000 ] - [ -0.0007908900000000, -0.0001354700000000, 0.0003171800000000 ] - [ -0.0021162600000000, -0.0008053400000000, -0.0020672400000000 ] - [ -0.0010124400000000, -0.0004352000000000, 0.0022026000000000 ] - [ -0.0044569300000000, 0.0030289500000000, 0.0021912200000000 ] - [ -0.0001197700000000, 0.0001429400000000, 0.0004323600000000 ] - [ -0.0008771000000000, 0.0000103600000000, -0.0003607200000000 ] - [ -0.0010340700000000, -0.0002540500000000, 0.0000335500000000 ] - [ -0.0003937800000000, -0.0005048900000000, -0.0001210800000000 ] - [ -0.0003870000000000, -0.0005059700000000, -0.0005490000000000 ] - [ -0.0007267900000000, -0.0000604600000000, -0.0000663600000000 ] - [ 0.0003525100000000, -0.0001745300000000, -0.0009144700000000 ] - [ 0.0004494700000000, 0.0007174800000000, 0.0008789000000000 ] - [ 0.0013012500000000, 0.0004272700000000, -0.0013245700000000 ] - [ -0.0002007400000000, 0.0005590000000000, 0.0018022100000000 ] - [ -0.0015715400000000, 0.0038752800000000, 0.0020027300000000 ] - [ 0.0002522700000000, -0.0002686400000000, 0.0006041800000000 ] - [ -0.0003902700000000, 0.0000613900000000, 0.0012928200000000 ] - [ 0.0006951500000000, -0.0002313300000000, 0.0008171800000000 ] - [ 0.0001581100000000, 0.0000479600000000, 0.0012656300000000 ] - [ 0.0895884800000000, -0.0460463200000000, 0.0383907500000000 ] - [ -0.0003033600000000, 0.0003291000000000, 0.0007594500000000 ] - [ 0.0054401000000000, 0.0007625400000000, -0.0039997100000000 ] - [ 0.0007278700000000, 0.0007972600000000, 0.0029582500000000 ] - [ 0.0001844900000000, 0.0002750800000000, -0.0005669500000000 ] - [ 0.0045455100000000, -0.0021824200000000, 0.0005438900000000 ] - [ -0.0010894700000000, -0.0003213200000000, 0.0000047100000000 ] - [ -0.0004064100000000, -0.0002226300000000, 0.0013834900000000 ] - [ -0.0007884600000000, -0.0001255000000000, 0.0006625400000000 ] - [ -0.0002083400000000, 0.0001157800000000, -0.0003800900000000 ] - [ 0.0000599200000000, -0.0001674000000000, 0.0024921400000000 ] - [ -0.0008252100000000, 0.0004370700000000, -0.0003685300000000 ] - [ -0.0009593500000000, 0.0001735900000000, 0.0001209300000000 ] - [ 0.0003504900000000, 0.0000593800000000, -0.0000382600000000 ] - [ 0.0001958400000000, -0.0001235300000000, 0.0009494100000000 ] - [ 0.0148027000000000, 0.0001648700000000, 0.0064701600000000 ] - [ 0.0004686200000000, -0.0000843700000000, -0.0006179600000000 ] - [ -0.0009957700000000, 0.0005148800000000, 0.0005396100000000 ] - [ -0.0013193500000000, -0.0001824100000000, 0.0002029100000000 ] - [ -0.0004471200000000, 0.0000376300000000, -0.0000789800000000 ] - [ 0.0000202600000000, -0.0001957100000000, -0.0005213300000000 ] - [ 0.0010546000000000, 0.0002512000000000, 0.0015532900000000 ] - [ 0.0002003200000000, 0.0000598100000000, -0.0007664000000000 ] - [ 0.0000306200000000, 0.0000291100000000, -0.0005911100000000 ] - [ -0.0005863200000000, 0.0003661400000000, -0.0002676500000000 ] - [ -0.0010300400000000, 0.0003535400000000, -0.0003887400000000 ] - [ -0.0007163300000000, 0.0001633800000000, -0.0010431000000000 ] - [ -0.0001933000000000, 0.0003450200000000, -0.0004566800000000 ] - [ -0.0004674900000000, -0.0007009300000000, -0.0007659500000000 ] - [ 0.0002794600000000, 0.0001938100000000, -0.0010352000000000 ] - [ -0.0005513300000000, -0.0000983900000000, -0.0000384400000000 ] - [ -0.0007700300000000, -0.0002721800000000, -0.0009760900000000 ] - [ -0.0005141800000000, -0.0001467300000000, -0.0000486700000000 ] - [ -0.0007837500000000, 0.0001254200000000, -0.0000135200000000 ] - [ 0.0009030600000000, -0.0001748400000000, 0.0005815400000000 ] - [ -0.0007644300000000, -0.0002327900000000, -0.0001951000000000 ] - [ -0.0038152200000000, 0.0000196500000000, -0.0001506900000000 ] - [ -0.0008688300000000, 0.0004027900000000, -0.0007988000000000 ] - [ -0.0014444900000000, 0.0008873100000000, -0.0020986700000000 ] - [ 0.0013549700000000, 0.0006508000000000, -0.0001190700000000 ] - [ -0.0013471500000000, -0.0004707100000000, -0.0007508800000000 ] - [ 0.0031778600000000, -0.0004756400000000, 0.0015471700000000 ] - [ -0.0005171200000000, -0.0016499900000000, -0.0050364400000000 ] - [ -0.0001084900000000, 0.0002677600000000, -0.0012250200000000 ] - [ -0.0005653200000000, 0.0003012900000000, -0.0007222700000000 ] - [ -0.0012104000000000, -0.0004538600000000, -0.0004313800000000 ] - [ 0.0002693500000000, 0.0002978200000000, -0.0002673900000000 ] - [ -0.0016006200000000, 0.0001663200000000, -0.0016626900000000 ] - [ -0.0132439000000000, -0.0026494900000000, 0.0045259800000000 ] - [ 0.0112212900000000, -0.0056696200000000, 0.0051291400000000 ] - [ 0.0006798000000000, -0.0000853100000000, -0.0004972900000000 ] - [ -0.0011023500000000, -0.0003961400000000, -0.0005748100000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0014142500000000, -0.0003012300000000, 0.0009664600000000 ] - [ 0.0006092400000000, 0.0008672200000000, 0.0003783700000000 ] - [ -0.0002373200000000, 0.0003053800000000, -0.0008836400000000 ] - [ 0.0036777100000000, 0.0113417100000000, 0.0002613900000000 ] - [ 0.0003617700000000, -0.0002164900000000, 0.0000625800000000 ] - [ 0.0006207800000000, 0.0002805500000000, 0.0008687100000000 ] - [ -0.0002672600000000, -0.0000495600000000, 0.0000838100000000 ] - [ -0.0018877700000000, -0.0006475600000000, 0.0001024000000000 ] - [ 0.0001316400000000, 0.0004256500000000, 0.0002794000000000 ] - [ -0.0002315000000000, -0.0000682400000000, -0.0001196900000000 ] - [ -0.0004698900000000, 0.0003712400000000, -0.0005834900000000 ] - [ 0.0000822000000000, 0.0000353200000000, 0.0002399700000000 ] - [ -0.0026869000000000, -0.0029857800000000, 0.0017950300000000 ] - [ -0.0000229900000000, 0.0002226300000000, 0.0010934200000000 ] - [ 0.0005019400000000, -0.0000859600000000, 0.0005235900000000 ] - [ 0.0005183900000000, -0.0000044400000000, -0.0000524200000000 ] - [ 0.0002826200000000, -0.0002182400000000, 0.0000894000000000 ] - [ -0.0007313400000000, -0.0006006000000000, 0.0000242300000000 ] - [ -0.0001911300000000, -0.0000458000000000, -0.0002440000000000 ] - [ -0.0002255700000000, -0.0002144300000000, 0.0000242400000000 ] - [ -0.0001445300000000, -0.0004244600000000, 0.0005444500000000 ] - [ 0.0007862100000000, -0.0012318200000000, -0.0003700500000000 ] - [ 0.0000587300000000, 0.0000236800000000, 0.0002154800000000 ] - [ -0.0000985000000000, 0.0000559600000000, 0.0003366600000000 ] - [ -0.0483606100000000, 0.0843480400000000, -0.0614842400000000 ] - [ -0.0006950100000000, -0.0003449700000000, -0.0019386300000000 ] - [ 0.0006773400000000, -0.0001876700000000, 0.0002259000000000 ] - [ 0.0007434700000000, -0.0000227400000000, 0.0007954500000000 ] - [ -0.0000101000000000, 0.0007442800000000, 0.0089903900000000 ] - [ -0.0000787800000000, -0.0002271700000000, -0.0001850900000000 ] - [ 0.0001399100000000, -0.0005627000000000, 0.0007264600000000 ] - [ -0.0004127000000000, 0.0000417800000000, -0.0002704200000000 ] - [ 0.0006358100000000, 0.0001484300000000, 0.0006903900000000 ] - [ 0.0007969800000000, 0.0000714500000000, 0.0003016400000000 ] - [ -0.0003001500000000, 0.0006159700000000, 0.0001456900000000 ] - [ 0.0002400300000000, -0.0005748800000000, -0.0001300000000000 ] - [ 0.0006571200000000, 0.0015486800000000, 0.0009787900000000 ] - [ 0.0010311600000000, 0.0005089200000000, 0.0000044900000000 ] - [ -0.0002529900000000, 0.0000842100000000, -0.0003579800000000 ] - [ 0.0007534400000000, 0.0006517000000000, 0.0010796000000000 ] - [ -0.0001198300000000, 0.0003782700000000, 0.0004196700000000 ] - [ -0.0002364700000000, -0.0003116400000000, 0.0000974300000000 ] - [ 0.0017101900000000, -0.0005686700000000, 0.0010618200000000 ] - [ 0.0000582700000000, -0.0002558900000000, 0.0003166600000000 ] - [ -0.0044507800000000, 0.0016227600000000, 0.0022752400000000 ] - [ 0.0000728800000000, 0.0000395300000000, -0.0000102600000000 ] - [ -0.0001889800000000, 0.0000655100000000, -0.0002017200000000 ] - [ -0.0001981600000000, -0.0002750100000000, 0.0001508800000000 ] - [ 0.0000407200000000, -0.0004068100000000, -0.0001932000000000 ] - [ 0.0002440400000000, -0.0002311700000000, 0.0002352500000000 ] - [ -0.0002524800000000, -0.0001953200000000, -0.0002169400000000 ] - [ 0.0000864300000000, -0.0000384400000000, -0.0000834500000000 ] - [ 0.0003074900000000, 0.0000278700000000, -0.0007205300000000 ] - [ -0.0005159200000000, 0.0001403600000000, -0.0004598900000000 ] - [ 0.0002330200000000, 0.0004130700000000, 0.0009025900000000 ] - [ -0.0013865100000000, 0.0036807700000000, 0.0005636500000000 ] - [ 0.0002276000000000, 0.0001617800000000, -0.0002667800000000 ] - [ -0.0000447000000000, 0.0000993000000000, 0.0006098700000000 ] - [ 0.0005038200000000, -0.0003095800000000, 0.0001143100000000 ] - [ 0.0006795500000000, 0.0000368600000000, -0.0002537600000000 ] - [ 0.0459581300000000, -0.1239596600000000, 0.0586523400000000 ] - [ -0.0000196500000000, 0.0001506800000000, 0.0003786800000000 ] - [ -0.0003489400000000, -0.0033552900000000, -0.0004177800000000 ] - [ 0.0002072400000000, -0.0014909900000000, -0.0056709400000000 ] - [ 0.0002248700000000, 0.0000119900000000, -0.0000891600000000 ] - [ -0.0023219900000000, 0.0013719000000000, 0.0001842600000000 ] - [ -0.0001148200000000, 0.0000888400000000, 0.0000813500000000 ] - [ 0.0001469700000000, -0.0000380300000000, 0.0004861900000000 ] - [ -0.0002047700000000, -0.0000981900000000, 0.0004769400000000 ] - [ 0.0000269200000000, 0.0002141800000000, -0.0002982600000000 ] - [ -0.0002183200000000, -0.0007293500000000, 0.0002202200000000 ] - [ -0.0002701100000000, 0.0002335300000000, -0.0001805100000000 ] - [ -0.0004445800000000, -0.0000070300000000, -0.0000134900000000 ] - [ -0.0000288800000000, 0.0001843000000000, -0.0007085300000000 ] - [ 0.0002405300000000, -0.0000358600000000, 0.0000577400000000 ] - [ 0.0039181600000000, 0.0339339300000000, -0.0085384600000000 ] - [ -0.0003335600000000, 0.0000877000000000, -0.0004793200000000 ] - [ -0.0002594700000000, 0.0003068700000000, 0.0003030500000000 ] - [ -0.0005390500000000, -0.0001349000000000, 0.0001514900000000 ] - [ 0.0002091900000000, -0.0001139600000000, -0.0001635700000000 ] - [ -0.0000443100000000, -0.0001403800000000, -0.0005623400000000 ] - [ 0.0008844500000000, 0.0002268200000000, 0.0008156600000000 ] - [ 0.0002094800000000, 0.0002551500000000, -0.0002289900000000 ] - [ 0.0003046800000000, 0.0001824000000000, -0.0007428600000000 ] - [ -0.0000347400000000, 0.0002110500000000, 0.0003919700000000 ] - [ -0.0000193400000000, 0.0000214800000000, 0.0000596700000000 ] - [ -0.0002344600000000, 0.0000453200000000, -0.0004192100000000 ] - [ -0.0003655100000000, 0.0002390000000000, 0.0006893200000000 ] - [ 0.0000037100000000, -0.0004902200000000, -0.0000892100000000 ] - [ 0.0003151200000000, 0.0001282500000000, -0.0002098700000000 ] - [ 0.0001364300000000, -0.0001980900000000, 0.0000368300000000 ] - [ -0.0001459800000000, 0.0003940600000000, 0.0004426300000000 ] - [ 0.0000144000000000, 0.0000586200000000, -0.0000392700000000 ] - [ -0.0004113100000000, 0.0001188700000000, 0.0000286900000000 ] - [ 0.0006884800000000, 0.0000397700000000, 0.0000396900000000 ] - [ -0.0002467500000000, -0.0004081100000000, -0.0000702900000000 ] - [ -0.0019979700000000, 0.0026461100000000, -0.0015328500000000 ] - [ -0.0003032100000000, 0.0003322500000000, -0.0000745700000000 ] - [ -0.0002671800000000, -0.0001197300000000, 0.0000966300000000 ] - [ 0.0001652200000000, 0.0002502900000000, -0.0011271200000000 ] - [ -0.0005110400000000, -0.0002638400000000, -0.0002125700000000 ] - [ 0.0014287100000000, 0.0000789700000000, 0.0005871700000000 ] - [ -0.0003579300000000, 0.0015498500000000, 0.0034209700000000 ] - [ -0.0000462900000000, 0.0002216700000000, -0.0006780600000000 ] - [ -0.0002245000000000, 0.0001421900000000, -0.0000861800000000 ] - [ -0.0004059600000000, -0.0001315100000000, -0.0002329900000000 ] - [ 0.0003198900000000, 0.0001815500000000, -0.0003393300000000 ] - [ 0.0006570200000000, -0.0009724700000000, -0.0000087200000000 ] - [ 0.0007702200000000, -0.0019967600000000, -0.0005170700000000 ] - [ 0.0023295400000000, -0.0065839400000000, -0.0026889700000000 ] - [ 0.0002623300000000, -0.0003383000000000, -0.0008624400000000 ] - [ -0.0000585200000000, -0.0000526000000000, 0.0001318600000000 ]- atom: 61 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0014073200000000, 0.0011641900000000, -0.0009626200000000 ] - [ -0.0011273500000000, -0.0010165400000000, -0.0010826200000000 ] - [ 0.0000010700000000, 0.0002942800000000, -0.0003460700000000 ] - [ -0.0042660500000000, -0.0115852900000000, -0.0001261200000000 ] - [ -0.0003550300000000, -0.0002321500000000, -0.0000621000000000 ] - [ -0.0003834300000000, 0.0003203000000000, 0.0003594100000000 ] - [ 0.0007849400000000, -0.0000943700000000, 0.0006173600000000 ] - [ 0.0020987900000000, 0.0007045500000000, -0.0005237200000000 ] - [ -0.0001294700000000, 0.0004408000000000, -0.0002738900000000 ] - [ -0.0002887700000000, -0.0000759100000000, -0.0005813200000000 ] - [ 0.0002395000000000, 0.0002279900000000, -0.0006335600000000 ] - [ -0.0003122000000000, 0.0000317200000000, 0.0001831900000000 ] - [ 0.0024793800000000, 0.0027115400000000, -0.0016402800000000 ] - [ 0.0002564300000000, 0.0003757600000000, 0.0001359400000000 ] - [ 0.0000248400000000, -0.0000579300000000, 0.0001873300000000 ] - [ -0.0002774400000000, 0.0000713400000000, -0.0003678700000000 ] - [ 0.0002146000000000, -0.0001855000000000, 0.0000124000000000 ] - [ 0.0002124800000000, 0.0001328100000000, -0.0001305500000000 ] - [ 0.0006791900000000, -0.0003575200000000, 0.0003282300000000 ] - [ -0.0002704000000000, -0.0002600300000000, -0.0001235900000000 ] - [ -0.0000486700000000, -0.0007532700000000, 0.0002125300000000 ] - [ -0.0014088000000000, 0.0012843700000000, -0.0001930300000000 ] - [ 0.0006355300000000, 0.0001783100000000, 0.0007939600000000 ] - [ 0.0007184700000000, -0.0000076700000000, 0.0002330300000000 ] - [ 0.0495910400000000, -0.0854855300000000, 0.0645170400000000 ] - [ 0.0008780600000000, -0.0008322200000000, 0.0011755400000000 ] - [ -0.0000082700000000, -0.0002850300000000, -0.0002798600000000 ] - [ 0.0003363500000000, 0.0011718900000000, -0.0008226600000000 ] - [ -0.0007109700000000, -0.0004675700000000, -0.0099489300000000 ] - [ -0.0005808600000000, -0.0002438300000000, 0.0002351000000000 ] - [ -0.0003318800000000, -0.0006151400000000, 0.0000357200000000 ] - [ -0.0002109100000000, 0.0000059500000000, -0.0003001600000000 ] - [ 0.0000646900000000, 0.0000569900000000, 0.0003317200000000 ] - [ -0.0001709000000000, -0.0000246600000000, 0.0002733500000000 ] - [ -0.0007665600000000, 0.0005317200000000, -0.0001077200000000 ] - [ -0.0000404100000000, -0.0006019200000000, -0.0006219600000000 ] - [ -0.0000010800000000, -0.0019920600000000, -0.0010316800000000 ] - [ 0.0000513900000000, 0.0006374300000000, -0.0000416400000000 ] - [ -0.0004408800000000, 0.0001193900000000, -0.0006570800000000 ] - [ -0.0013971600000000, -0.0011115800000000, -0.0010220700000000 ] - [ -0.0001913400000000, -0.0002220900000000, -0.0005742700000000 ] - [ -0.0000132100000000, -0.0004736700000000, 0.0002210200000000 ] - [ -0.0014491800000000, -0.0002318100000000, -0.0013670500000000 ] - [ 0.0003428600000000, -0.0001841700000000, -0.0000038900000000 ] - [ 0.0041002200000000, -0.0020743900000000, -0.0026057300000000 ] - [ 0.0002424500000000, 0.0001203600000000, 0.0001618700000000 ] - [ -0.0001228800000000, 0.0000883500000000, 0.0000419900000000 ] - [ -0.0000455500000000, -0.0005131500000000, 0.0001646900000000 ] - [ 0.0002080800000000, -0.0003978100000000, -0.0001062000000000 ] - [ 0.0001572200000000, -0.0002075400000000, 0.0000776500000000 ] - [ -0.0001574300000000, -0.0002372100000000, -0.0001015600000000 ] - [ 0.0002271200000000, 0.0001934400000000, 0.0002361200000000 ] - [ 0.0002127200000000, 0.0005492700000000, 0.0006326000000000 ] - [ 0.0009541800000000, 0.0002586600000000, -0.0007487000000000 ] - [ -0.0002141500000000, 0.0000558600000000, 0.0000812500000000 ] - [ 0.0018829200000000, -0.0038144200000000, -0.0002390200000000 ] - [ -0.0003267200000000, -0.0001752500000000, -0.0002642500000000 ] - [ -0.0003919900000000, 0.0002990800000000, 0.0005954200000000 ] - [ -0.0001158500000000, -0.0005625100000000, -0.0000960200000000 ] - [ 0.0001285500000000, 0.0002093800000000, -0.0000327000000000 ] - [ -0.0472189600000000, 0.1263057000000000, -0.0614589200000000 ] - [ -0.0003591100000000, 0.0000820400000000, 0.0001647900000000 ] - [ 0.0004746400000000, 0.0035241300000000, 0.0005100000000000 ] - [ -0.0010053600000000, 0.0017258700000000, 0.0059157500000000 ] - [ 0.0006747000000000, -0.0000214200000000, 0.0001101000000000 ] - [ 0.0019512400000000, -0.0022476300000000, -0.0002063100000000 ] - [ 0.0001445900000000, 0.0001930100000000, 0.0000792700000000 ] - [ -0.0006639400000000, 0.0006160500000000, -0.0003989500000000 ] - [ -0.0001388400000000, -0.0000337100000000, 0.0002288900000000 ] - [ 0.0003727600000000, 0.0002397100000000, -0.0001237400000000 ] - [ -0.0003402600000000, 0.0002379000000000, -0.0004312700000000 ] - [ 0.0002341900000000, 0.0000513000000000, 0.0000195700000000 ] - [ -0.0004574600000000, -0.0000029100000000, -0.0000093100000000 ] - [ 0.0000125500000000, 0.0002861500000000, -0.0002736500000000 ] - [ -0.0003574400000000, 0.0002166000000000, -0.0000951100000000 ] - [ -0.0044089200000000, -0.0345455500000000, 0.0084677700000000 ] - [ 0.0007126000000000, 0.0001441200000000, -0.0000643500000000 ] - [ -0.0001434200000000, 0.0001485700000000, 0.0001193300000000 ] - [ -0.0001801000000000, -0.0000467100000000, 0.0000174800000000 ] - [ 0.0005037900000000, -0.0000664700000000, -0.0000045600000000 ] - [ 0.0003881600000000, 0.0000079100000000, -0.0001416300000000 ] - [ -0.0007781500000000, -0.0002392200000000, -0.0002823200000000 ] - [ 0.0003092600000000, 0.0003228000000000, 0.0001418000000000 ] - [ 0.0001334400000000, 0.0002166900000000, -0.0004626100000000 ] - [ 0.0000491200000000, 0.0002596700000000, 0.0005879500000000 ] - [ 0.0005066300000000, -0.0001603300000000, 0.0002628300000000 ] - [ 0.0001311100000000, -0.0000591200000000, -0.0001147000000000 ] - [ -0.0000734800000000, 0.0001608900000000, 0.0005122500000000 ] - [ 0.0003781700000000, -0.0003853700000000, 0.0001033000000000 ] - [ 0.0004906600000000, 0.0001187400000000, -0.0000801200000000 ] - [ 0.0004015800000000, -0.0002667400000000, 0.0001910400000000 ] - [ -0.0002377000000000, -0.0001624500000000, 0.0000950800000000 ] - [ 0.0001040700000000, 0.0001235800000000, 0.0000784800000000 ] - [ -0.0003961300000000, 0.0001280300000000, 0.0002577600000000 ] - [ 0.0002147000000000, -0.0000492200000000, -0.0000155500000000 ] - [ -0.0001391900000000, -0.0004660400000000, 0.0000529500000000 ] - [ 0.0020011500000000, -0.0023473100000000, 0.0016773400000000 ] - [ -0.0002183600000000, 0.0002465000000000, 0.0001572500000000 ] - [ -0.0000849100000000, -0.0000105200000000, 0.0006007400000000 ] - [ 0.0002358000000000, 0.0001998600000000, 0.0006939700000000 ] - [ -0.0000339100000000, -0.0002029800000000, -0.0000174100000000 ] - [ -0.0014434100000000, 0.0002030100000000, -0.0007273600000000 ] - [ -0.0005433500000000, -0.0015715700000000, -0.0034636000000000 ] - [ 0.0000290400000000, 0.0002486400000000, -0.0003067600000000 ] - [ 0.0001027900000000, 0.0000414400000000, 0.0000440500000000 ] - [ -0.0000889100000000, -0.0000100000000000, -0.0000922400000000 ] - [ 0.0000611800000000, 0.0000514600000000, -0.0002031000000000 ] - [ -0.0010639000000000, 0.0014302100000000, 0.0004254600000000 ] - [ -0.0014469200000000, 0.0018106800000000, 0.0006724300000000 ] - [ -0.0016117200000000, 0.0064566700000000, 0.0024092800000000 ] - [ 0.0000854600000000, 0.0002042400000000, 0.0001563300000000 ] - [ 0.0001559100000000, 0.0000370800000000, 0.0003964000000000 ]- atom: 61 displacement: [ -0.0057565208649526, 0.0000000000000000, 0.0081769473235044 ] forces: - [ 0.0027069300000000, 0.0012557100000000, -0.0040963800000000 ] - [ -0.0007555700000000, -0.0022527300000000, -0.0052292800000000 ] - [ 0.0018955900000000, 0.0003184100000000, -0.0018774400000000 ] - [ -0.0068510600000000, -0.0010369700000000, 0.0107784400000000 ] - [ 0.0005571200000000, -0.0002706600000000, -0.0000411300000000 ] - [ 0.0001542500000000, 0.0002722700000000, -0.0011327700000000 ] - [ 0.0019851300000000, 0.0000674800000000, -0.0018908800000000 ] - [ 0.0027982000000000, 0.0010644700000000, -0.0053785500000000 ] - [ -0.0006049600000000, 0.0005172600000000, -0.0001326700000000 ] - [ -0.0004023400000000, 0.0000184300000000, -0.0010178600000000 ] - [ -0.0017108700000000, 0.0003998800000000, 0.0004209300000000 ] - [ 0.0007662400000000, 0.0000993900000000, -0.0000830500000000 ] - [ -0.0048454400000000, -0.0009403300000000, 0.0122485700000000 ] - [ -0.0008820800000000, 0.0001848000000000, -0.0011699000000000 ] - [ -0.0011743900000000, -0.0002302700000000, 0.0001677000000000 ] - [ 0.0000446200000000, 0.0001116600000000, -0.0006123700000000 ] - [ 0.0005872500000000, -0.0001177300000000, -0.0000930800000000 ] - [ 0.0003166300000000, -0.0010486800000000, 0.0008439900000000 ] - [ 0.0002593000000000, -0.0003634500000000, 0.0005216200000000 ] - [ -0.0001267200000000, -0.0001058400000000, 0.0001354600000000 ] - [ 0.0013015000000000, -0.0010009400000000, -0.0016980400000000 ] - [ -0.0037593700000000, 0.0003953400000000, -0.0014564800000000 ] - [ 0.0021021300000000, 0.0001271300000000, -0.0018698700000000 ] - [ 0.0010841600000000, 0.0003471800000000, -0.0016943800000000 ] - [ -0.0065659500000000, -0.0177458300000000, 0.0429603100000000 ] - [ 0.0035420600000000, -0.0004283100000000, -0.0014603200000000 ] - [ 0.0006471500000000, -0.0004184200000000, -0.0009020200000000 ] - [ 0.0047070400000000, -0.0001575500000000, -0.0001132500000000 ] - [ -0.0045110100000000, 0.0034387100000000, -0.0083732900000000 ] - [ 0.0010370300000000, -0.0002992800000000, 0.0005578800000000 ] - [ -0.0020358600000000, -0.0001670200000000, -0.0001524700000000 ] - [ 0.0005733300000000, -0.0002356700000000, -0.0013154100000000 ] - [ -0.0002680800000000, 0.0000381500000000, 0.0007696900000000 ] - [ -0.0008544600000000, 0.0001376200000000, -0.0006391800000000 ] - [ 0.0003821600000000, 0.0006061000000000, -0.0003081800000000 ] - [ -0.0000990700000000, -0.0006427100000000, 0.0000774900000000 ] - [ -0.0050862900000000, -0.0033780300000000, -0.0047259400000000 ] - [ 0.0006094100000000, 0.0003881100000000, 0.0004994400000000 ] - [ -0.0000617800000000, 0.0000880600000000, -0.0005831700000000 ] - [ 0.0005523600000000, -0.0005901500000000, 0.0040011400000000 ] - [ -0.0016248700000000, 0.0002113500000000, 0.0003012100000000 ] - [ -0.0007365600000000, -0.0000978800000000, 0.0000132300000000 ] - [ 0.0006835200000000, 0.0000789800000000, -0.0016465200000000 ] - [ -0.0011487500000000, -0.0004621200000000, 0.0015988100000000 ] - [ -0.0049151300000000, 0.0034867300000000, -0.0026386300000000 ] - [ -0.0002132500000000, 0.0001650500000000, 0.0007691600000000 ] - [ -0.0001505000000000, 0.0000512500000000, -0.0004099000000000 ] - [ -0.0002252600000000, -0.0002916100000000, -0.0002501200000000 ] - [ -0.0002732700000000, -0.0004542800000000, -0.0000987400000000 ] - [ 0.0004470400000000, -0.0001821200000000, -0.0002210300000000 ] - [ -0.0003885200000000, -0.0001653100000000, -0.0001163100000000 ] - [ 0.0008897800000000, -0.0000139700000000, -0.0001441000000000 ] - [ -0.0001829700000000, 0.0009955800000000, 0.0020286900000000 ] - [ 0.0011427900000000, 0.0006900900000000, 0.0002594400000000 ] - [ -0.0011768800000000, 0.0006754900000000, 0.0015076400000000 ] - [ -0.0046426000000000, 0.0056468600000000, 0.0011255500000000 ] - [ -0.0010532100000000, -0.0004727900000000, 0.0005132300000000 ] - [ -0.0011570000000000, 0.0003606500000000, 0.0018799700000000 ] - [ -0.0006275000000000, -0.0008288700000000, 0.0010151500000000 ] - [ -0.0009711300000000, 0.0001188000000000, 0.0022139900000000 ] - [ 0.0198936400000000, 0.0217568900000000, -0.0866383400000000 ] - [ -0.0007394600000000, 0.0002233500000000, 0.0008705400000000 ] - [ 0.0018600200000000, 0.0012346400000000, 0.0104208100000000 ] - [ -0.0020733000000000, 0.0019259400000000, 0.0088150200000000 ] - [ 0.0007691500000000, -0.0002630000000000, 0.0005179200000000 ] - [ 0.0040044800000000, -0.0025670700000000, 0.0010402400000000 ] - [ -0.0007386700000000, -0.0001692500000000, -0.0000317500000000 ] - [ -0.0014596500000000, -0.0000169200000000, 0.0010513100000000 ] - [ -0.0012810800000000, -0.0000372400000000, 0.0001602400000000 ] - [ 0.0001301200000000, 0.0000529100000000, 0.0002787400000000 ] - [ -0.0022065300000000, -0.0004606900000000, 0.0011983400000000 ] - [ -0.0001093600000000, 0.0001993100000000, 0.0001118200000000 ] - [ -0.0009920700000000, 0.0003290500000000, 0.0003831500000000 ] - [ -0.0004522700000000, 0.0000393400000000, 0.0010565500000000 ] - [ -0.0012145100000000, 0.0005442700000000, 0.0013665300000000 ] - [ 0.0043741500000000, -0.0026669100000000, -0.0044060700000000 ] - [ 0.0013980100000000, 0.0000948700000000, 0.0011170300000000 ] - [ -0.0008574600000000, 0.0003326600000000, 0.0003331000000000 ] - [ -0.0005863600000000, 0.0000758000000000, -0.0000970200000000 ] - [ 0.0000297500000000, 0.0000833600000000, 0.0002993000000000 ] - [ 0.0000720300000000, 0.0002390600000000, 0.0003250100000000 ] - [ -0.0016414300000000, -0.0000149600000000, 0.0005529000000000 ] - [ 0.0007908700000000, 0.0002487300000000, 0.0002449200000000 ] - [ -0.0001701100000000, 0.0001486600000000, 0.0002572600000000 ] - [ 0.0004374700000000, 0.0000538800000000, 0.0002840200000000 ] - [ 0.0001279900000000, -0.0000016900000000, 0.0001081900000000 ] - [ 0.0009942700000000, -0.0002125000000000, 0.0001067800000000 ] - [ 0.0004821300000000, 0.0001232300000000, 0.0005142300000000 ] - [ 0.0005466600000000, -0.0003826700000000, 0.0001606700000000 ] - [ 0.0008877300000000, 0.0000945900000000, -0.0004735300000000 ] - [ -0.0000772200000000, -0.0002192200000000, 0.0001889700000000 ] - [ 0.0012847500000000, -0.0003933500000000, 0.0008273200000000 ] - [ -0.0002060000000000, 0.0000272100000000, 0.0002261100000000 ] - [ -0.0004247600000000, 0.0001651800000000, 0.0003094100000000 ] - [ 0.0004286300000000, -0.0007665200000000, 0.0015196200000000 ] - [ -0.0003934200000000, -0.0003977800000000, 0.0001248400000000 ] - [ -0.0002185400000000, 0.0018785600000000, -0.0036980400000000 ] - [ 0.0000787100000000, 0.0003887400000000, -0.0001904900000000 ] - [ 0.0000843800000000, 0.0005663300000000, -0.0013096100000000 ] - [ 0.0015417400000000, 0.0004902200000000, 0.0030330700000000 ] - [ -0.0003726700000000, -0.0002911500000000, -0.0002523600000000 ] - [ 0.0017121900000000, 0.0001257800000000, 0.0019852500000000 ] - [ 0.0013122000000000, -0.0003729000000000, 0.0001564300000000 ] - [ 0.0004720500000000, 0.0003567800000000, -0.0002486400000000 ] - [ 0.0002440000000000, 0.0000579400000000, 0.0000491500000000 ] - [ -0.0006705800000000, -0.0002416500000000, -0.0002011700000000 ] - [ 0.0002771900000000, 0.0000845100000000, 0.0005241700000000 ] - [ 0.0010404700000000, -0.0006995600000000, -0.0012319800000000 ] - [ -0.0081970700000000, -0.0017962500000000, -0.0019787200000000 ] - [ 0.0066000500000000, -0.0089977800000000, 0.0240669900000000 ] - [ 0.0012174000000000, 0.0010838400000000, 0.0021996800000000 ] - [ 0.0003002500000000, -0.0000140300000000, 0.0003360700000000 ]- atom: 61 displacement: [ 0.0057565208649526, 0.0000000000000000, -0.0081769473235044 ] forces: - [ -0.0027237800000000, -0.0003948100000000, 0.0041125400000000 ] - [ 0.0002444600000000, 0.0021207700000000, 0.0045389500000000 ] - [ -0.0021357700000000, 0.0002798600000000, 0.0006445200000000 ] - [ 0.0065845000000000, 0.0011358800000000, -0.0104434800000000 ] - [ -0.0005482900000000, -0.0001817800000000, 0.0000405300000000 ] - [ 0.0000875700000000, 0.0003258600000000, 0.0023666500000000 ] - [ -0.0014714400000000, -0.0002113700000000, 0.0025931400000000 ] - [ -0.0025789100000000, -0.0009951300000000, 0.0049515600000000 ] - [ 0.0006056200000000, 0.0003529000000000, 0.0001383200000000 ] - [ -0.0001218900000000, -0.0001621100000000, 0.0003150100000000 ] - [ 0.0014752900000000, 0.0001976400000000, -0.0016489300000000 ] - [ -0.0009963600000000, -0.0000318000000000, 0.0005054000000000 ] - [ 0.0042091700000000, 0.0009509300000000, -0.0116729300000000 ] - [ 0.0011070600000000, 0.0004127200000000, 0.0024013900000000 ] - [ 0.0017018700000000, 0.0000863200000000, 0.0005442100000000 ] - [ 0.0001986600000000, -0.0000441300000000, 0.0001921400000000 ] - [ -0.0000882100000000, -0.0002892100000000, 0.0002041000000000 ] - [ -0.0008309500000000, 0.0005846400000000, -0.0009618700000000 ] - [ 0.0002328100000000, -0.0000416000000000, -0.0004165100000000 ] - [ -0.0003703900000000, -0.0003697500000000, -0.0002359600000000 ] - [ -0.0014931200000000, -0.0001748300000000, 0.0024584400000000 ] - [ 0.0031574000000000, -0.0003642400000000, 0.0008878200000000 ] - [ -0.0014082400000000, 0.0000770300000000, 0.0028848900000000 ] - [ -0.0004665300000000, -0.0002989700000000, 0.0022638500000000 ] - [ 0.0057680700000000, 0.0189163300000000, -0.0431317200000000 ] - [ -0.0033704000000000, -0.0007482700000000, 0.0006921400000000 ] - [ 0.0000242000000000, -0.0000536000000000, 0.0008520000000000 ] - [ -0.0036361600000000, 0.0012945700000000, 0.0000937100000000 ] - [ 0.0039898900000000, -0.0031456800000000, 0.0073052400000000 ] - [ -0.0016995800000000, -0.0001722200000000, -0.0005146800000000 ] - [ 0.0018395900000000, -0.0010082600000000, 0.0009182800000000 ] - [ -0.0012006000000000, 0.0002837400000000, 0.0007425700000000 ] - [ 0.0009707200000000, 0.0001677800000000, 0.0002547000000000 ] - [ 0.0014882900000000, -0.0000894900000000, 0.0012141500000000 ] - [ -0.0014515800000000, 0.0005416800000000, 0.0003465100000000 ] - [ 0.0002943500000000, -0.0005348200000000, -0.0008318700000000 ] - [ 0.0057314700000000, 0.0028917100000000, 0.0046713900000000 ] - [ 0.0004814900000000, 0.0007583700000000, -0.0005388100000000 ] - [ -0.0006340600000000, 0.0001161000000000, -0.0004324900000000 ] - [ -0.0012190400000000, 0.0001176600000000, -0.0039333600000000 ] - [ 0.0013194100000000, -0.0000556800000000, -0.0004461900000000 ] - [ 0.0004727700000000, -0.0006928100000000, 0.0002957700000000 ] - [ -0.0004380600000000, -0.0008785200000000, 0.0013380000000000 ] - [ 0.0015414900000000, 0.0000213100000000, -0.0012885300000000 ] - [ 0.0046082800000000, -0.0039879900000000, 0.0023287500000000 ] - [ 0.0005275200000000, -0.0000070500000000, -0.0006263100000000 ] - [ -0.0001624600000000, 0.0001052300000000, 0.0002578900000000 ] - [ -0.0000385100000000, -0.0005008900000000, 0.0005625200000000 ] - [ 0.0005345300000000, -0.0003424600000000, -0.0002070700000000 ] - [ -0.0000499800000000, -0.0002563900000000, 0.0005317200000000 ] - [ -0.0000126600000000, -0.0002707400000000, -0.0001964900000000 ] - [ -0.0005767700000000, 0.0001654500000000, 0.0002890000000000 ] - [ 0.0007021800000000, -0.0004214300000000, -0.0021256100000000 ] - [ -0.0007157100000000, -0.0002918500000000, -0.0014650700000000 ] - [ 0.0011990100000000, -0.0002049200000000, -0.0005192500000000 ] - [ 0.0050903900000000, -0.0057185500000000, -0.0007868700000000 ] - [ 0.0009530400000000, 0.0004622300000000, -0.0010482900000000 ] - [ 0.0007221000000000, 0.0000377800000000, -0.0006736200000000 ] - [ 0.0010134700000000, -0.0000479900000000, -0.0009968900000000 ] - [ 0.0017801100000000, 0.0001267400000000, -0.0025053000000000 ] - [ -0.0191669100000000, -0.0227972300000000, 0.0864283100000000 ] - [ 0.0003641600000000, 0.0000095700000000, -0.0003262900000000 ] - [ -0.0017909100000000, -0.0010601800000000, -0.0105387900000000 ] - [ 0.0012788200000000, -0.0017243900000000, -0.0086305000000000 ] - [ 0.0001276400000000, 0.0002531600000000, -0.0004980900000000 ] - [ -0.0044507400000000, 0.0017203000000000, -0.0010541600000000 ] - [ 0.0007673300000000, 0.0004513900000000, 0.0001931200000000 ] - [ 0.0009466400000000, 0.0005924300000000, -0.0009603200000000 ] - [ 0.0009383700000000, -0.0000970300000000, 0.0005510500000000 ] - [ 0.0002694700000000, 0.0004016200000000, -0.0007035600000000 ] - [ 0.0016690200000000, 0.0000022300000000, -0.0014243200000000 ] - [ 0.0000739400000000, 0.0000861800000000, -0.0002731700000000 ] - [ 0.0000913900000000, -0.0003392200000000, -0.0004049700000000 ] - [ 0.0004335800000000, 0.0004313800000000, -0.0020444100000000 ] - [ 0.0010963800000000, -0.0003601500000000, -0.0014062700000000 ] - [ -0.0047603900000000, 0.0026937000000000, 0.0040108700000000 ] - [ -0.0010283100000000, 0.0001372100000000, -0.0016651500000000 ] - [ 0.0004540800000000, 0.0001244400000000, 0.0000929600000000 ] - [ -0.0001377200000000, -0.0002597900000000, 0.0002684100000000 ] - [ 0.0006855000000000, -0.0002653800000000, -0.0004684100000000 ] - [ 0.0002701000000000, -0.0003727800000000, -0.0010349100000000 ] - [ 0.0017557000000000, 0.0000047600000000, -0.0000151900000000 ] - [ -0.0002695300000000, 0.0003267500000000, -0.0003365100000000 ] - [ 0.0006091000000000, 0.0002509200000000, -0.0014633100000000 ] - [ -0.0004220100000000, 0.0004177800000000, 0.0006997000000000 ] - [ 0.0003551300000000, -0.0001359700000000, 0.0002129600000000 ] - [ -0.0010986900000000, 0.0001996000000000, -0.0006431600000000 ] - [ -0.0009232700000000, 0.0002772200000000, 0.0006911000000000 ] - [ -0.0001672300000000, -0.0004948500000000, -0.0001485200000000 ] - [ -0.0000826400000000, 0.0001524300000000, 0.0001805500000000 ] - [ 0.0006174800000000, -0.0002459700000000, 0.0000394700000000 ] - [ -0.0016681300000000, 0.0006314200000000, -0.0002867200000000 ] - [ 0.0003266400000000, 0.0001569100000000, -0.0001855600000000 ] - [ -0.0003812200000000, 0.0000818500000000, -0.0000213500000000 ] - [ 0.0004774300000000, 0.0007553200000000, -0.0014940900000000 ] - [ 0.0000089700000000, -0.0004784300000000, -0.0001403700000000 ] - [ 0.0002512800000000, -0.0015788900000000, 0.0038480800000000 ] - [ -0.0005998200000000, 0.0001884100000000, 0.0002769200000000 ] - [ -0.0004313400000000, -0.0006977700000000, 0.0020106700000000 ] - [ -0.0011282500000000, -0.0000314900000000, -0.0034426300000000 ] - [ -0.0001764200000000, -0.0001759000000000, 0.0000220300000000 ] - [ -0.0017299300000000, 0.0001540700000000, -0.0021462200000000 ] - [ -0.0022162400000000, 0.0003810700000000, -0.0001411700000000 ] - [ -0.0004875100000000, 0.0001149100000000, -0.0007405400000000 ] - [ -0.0003687600000000, 0.0001276300000000, -0.0000927700000000 ] - [ 0.0001773400000000, 0.0001003400000000, -0.0001230700000000 ] - [ 0.0001052800000000, 0.0001496000000000, -0.0010649700000000 ] - [ -0.0014329000000000, 0.0011474500000000, 0.0016555600000000 ] - [ 0.0074294600000000, 0.0016020900000000, 0.0021153600000000 ] - [ -0.0058135200000000, 0.0086623400000000, -0.0237615700000000 ] - [ -0.0008668500000000, -0.0012131300000000, -0.0029011800000000 ] - [ -0.0001983400000000, 0.0000001600000000, 0.0001954100000000 ]- atom: 62 displacement: [ 0.0099999987502926, 0.0000000000000000, -0.0000049994145799 ] forces: - [ -0.0037492400000000, 0.0007363700000000, 0.0000548300000000 ] - [ -0.0032950100000000, 0.0001393800000000, -0.0000695500000000 ] - [ 0.0184277900000000, -0.0027087900000000, 0.0028190800000000 ] - [ -0.0011806300000000, -0.0001612300000000, 0.0005043200000000 ] - [ 0.0007441000000000, -0.0002674100000000, -0.0013125200000000 ] - [ -0.0022513800000000, 0.0001355700000000, -0.0001668600000000 ] - [ 0.0186732500000000, 0.0082769300000000, 0.0109625100000000 ] - [ 0.0046289500000000, -0.0008994100000000, -0.0000659400000000 ] - [ -0.0027709500000000, 0.0004655200000000, 0.0010298000000000 ] - [ -0.0062167800000000, -0.0041062700000000, -0.0001693700000000 ] - [ -0.0020476600000000, 0.0004279600000000, -0.0007366700000000 ] - [ 0.0019012200000000, -0.0009501500000000, -0.0074976700000000 ] - [ 0.0005122400000000, 0.0000043600000000, 0.0001146200000000 ] - [ -0.0015599500000000, 0.0039052900000000, 0.0084941400000000 ] - [ -0.0019052700000000, -0.0001927700000000, 0.0003445600000000 ] - [ -0.0007554500000000, 0.0002593700000000, -0.0009150700000000 ] - [ 0.0000020200000000, -0.0002042500000000, -0.0006017900000000 ] - [ -0.0004066300000000, -0.0000842400000000, 0.0006726200000000 ] - [ 0.0001905800000000, -0.0003252100000000, 0.0005590200000000 ] - [ -0.0006106500000000, -0.0000911300000000, -0.0005840800000000 ] - [ -0.0056510100000000, 0.0008596900000000, -0.0028156200000000 ] - [ -0.0021474300000000, 0.0001168600000000, -0.0002923400000000 ] - [ -0.0000364700000000, 0.0005356800000000, -0.0037414600000000 ] - [ 0.0137624500000000, -0.0031449600000000, 0.0015319000000000 ] - [ -0.0011739200000000, 0.0008629700000000, 0.0015327500000000 ] - [ -0.0030522900000000, -0.0036778400000000, 0.0065553700000000 ] - [ -0.0013396900000000, -0.0009026200000000, -0.0024434000000000 ] - [ 0.0007500500000000, 0.0006429700000000, -0.0016634400000000 ] - [ -0.0016968700000000, 0.0001795400000000, 0.0012444900000000 ] - [ 0.0049978400000000, -0.0015099500000000, 0.0026341900000000 ] - [ -0.0017046100000000, -0.0009096400000000, 0.0024552100000000 ] - [ 0.1048977500000000, -0.0413437400000000, 0.0626842800000000 ] - [ -0.0005401000000000, -0.0000152300000000, 0.0011843500000000 ] - [ -0.0014867900000000, -0.0000501800000000, 0.0000277200000000 ] - [ -0.0009918500000000, 0.0002657600000000, -0.0027680700000000 ] - [ -0.0032771600000000, -0.0009887900000000, -0.0013457000000000 ] - [ 0.0017878400000000, 0.0000725100000000, 0.0029283600000000 ] - [ 0.0009343100000000, 0.0004492500000000, 0.0002950900000000 ] - [ -0.0042447100000000, 0.0018735600000000, -0.0032320500000000 ] - [ -0.0016533800000000, 0.0001308000000000, -0.0011393700000000 ] - [ -0.0000211000000000, 0.0001474000000000, -0.0021543200000000 ] - [ 0.0001941000000000, -0.0003280700000000, 0.0006408500000000 ] - [ 0.0002317600000000, -0.0002673200000000, -0.0006904700000000 ] - [ 0.0001607900000000, -0.0000667200000000, 0.0013629100000000 ] - [ 0.0003534700000000, -0.0002577600000000, -0.0011436000000000 ] - [ 0.0007264400000000, 0.0001094600000000, 0.0008387700000000 ] - [ 0.0004988700000000, 0.0000981600000000, 0.0002063600000000 ] - [ -0.0002210400000000, -0.0004710700000000, -0.0002022800000000 ] - [ 0.0004846000000000, -0.0004303800000000, 0.0004326200000000 ] - [ 0.0004732200000000, -0.0002239000000000, -0.0003055300000000 ] - [ 0.0003774600000000, -0.0004523000000000, 0.0010348900000000 ] - [ 0.0003669300000000, 0.0001896500000000, -0.0009949200000000 ] - [ 0.0019525300000000, 0.0000267200000000, 0.0002964300000000 ] - [ 0.0013594800000000, 0.0005407700000000, -0.0009125200000000 ] - [ 0.0018257500000000, 0.0020857500000000, -0.0014550300000000 ] - [ -0.0000707300000000, 0.0000264400000000, 0.0004358700000000 ] - [ 0.0100026300000000, -0.0001381100000000, 0.0017904500000000 ] - [ -0.0115895100000000, 0.0000246600000000, 0.0021244000000000 ] - [ -0.0036042300000000, 0.0023377900000000, 0.0032001400000000 ] - [ 0.0017471000000000, -0.0013749100000000, 0.0028983800000000 ] - [ 0.0003848600000000, -0.0000635500000000, -0.0004805500000000 ] - [ -0.1685621000000000, 0.0284429500000000, -0.0895180300000000 ] - [ 0.0009460000000000, 0.0003236900000000, -0.0004677400000000 ] - [ 0.0013285100000000, 0.0001105900000000, -0.0015596300000000 ] - [ 0.0013979900000000, -0.0000346600000000, 0.0003221500000000 ] - [ 0.0006264100000000, -0.0006356100000000, -0.0002221400000000 ] - [ -0.0028047700000000, -0.0016052000000000, 0.0007832600000000 ] - [ 0.0101454100000000, 0.0003918000000000, -0.0058909100000000 ] - [ -0.0037079300000000, 0.0028713800000000, -0.0071156100000000 ] - [ 0.0009064700000000, 0.0001818600000000, 0.0005104800000000 ] - [ -0.0005447800000000, 0.0002891500000000, 0.0011724200000000 ] - [ 0.0009247500000000, -0.0001396300000000, 0.0006863900000000 ] - [ 0.0018679500000000, 0.0109311500000000, 0.0178189100000000 ] - [ 0.0024359900000000, 0.0008404300000000, -0.0002834900000000 ] - [ -0.0023019800000000, -0.0013206600000000, 0.0050915700000000 ] - [ -0.0001702300000000, -0.0000450400000000, -0.0004351300000000 ] - [ 0.0015759300000000, 0.0002321700000000, 0.0002616000000000 ] - [ -0.0065885600000000, -0.0008406100000000, -0.0005065800000000 ] - [ -0.0018816800000000, 0.0007563500000000, 0.0002928400000000 ] - [ 0.0000795200000000, 0.0005024400000000, 0.0015051300000000 ] - [ 0.0019003900000000, 0.0003193000000000, 0.0011998300000000 ] - [ 0.0023200000000000, 0.0000110900000000, -0.0002987000000000 ] - [ 0.0011775400000000, 0.0000250800000000, -0.0011150800000000 ] - [ 0.0200044100000000, -0.0002186000000000, -0.0028897300000000 ] - [ 0.0012628900000000, -0.0001333600000000, 0.0004364900000000 ] - [ 0.0001463500000000, 0.0000949400000000, 0.0003348600000000 ] - [ 0.0016763500000000, 0.0002045600000000, -0.0003244600000000 ] - [ 0.0007427500000000, -0.0000517000000000, 0.0003392300000000 ] - [ 0.0008129000000000, -0.0003232100000000, 0.0000717100000000 ] - [ 0.0013402400000000, 0.0000341000000000, -0.0010646800000000 ] - [ 0.0008497600000000, -0.0001861500000000, 0.0023242400000000 ] - [ 0.0010280200000000, -0.0000433400000000, 0.0006828200000000 ] - [ 0.0023089600000000, -0.0009928500000000, 0.0025476200000000 ] - [ 0.0018327200000000, 0.0003995700000000, -0.0003960700000000 ] - [ -0.0024687400000000, 0.0015779300000000, -0.0026561200000000 ] - [ 0.0040190900000000, 0.0000762100000000, 0.0033130300000000 ] - [ 0.0007387900000000, 0.0004477800000000, 0.0003061600000000 ] - [ 0.0009033900000000, 0.0003662200000000, 0.0000691600000000 ] - [ 0.0010125800000000, -0.0002672000000000, 0.0011279400000000 ] - [ -0.0009749600000000, 0.0007435300000000, -0.0021049800000000 ] - [ -0.0003504900000000, -0.0003621600000000, -0.0000660200000000 ] - [ -0.0015417900000000, 0.0008201300000000, -0.0007990200000000 ] - [ 0.0004425300000000, -0.0001017200000000, 0.0000386100000000 ] - [ 0.0024683000000000, 0.0014092300000000, -0.0029943800000000 ] - [ 0.0005433300000000, -0.0000286400000000, -0.0001184200000000 ] - [ 0.0002407300000000, -0.0004992700000000, 0.0013618700000000 ] - [ -0.0031975100000000, -0.0014509900000000, -0.0045378800000000 ] - [ 0.0004611400000000, 0.0001839700000000, 0.0004728400000000 ] - [ -0.0005333200000000, -0.0005332900000000, 0.0008503500000000 ] - [ 0.0001533800000000, -0.0007006100000000, -0.0010772100000000 ] - [ -0.0001975400000000, -0.0015669200000000, -0.0025637200000000 ] - [ 0.0031070200000000, 0.0001745800000000, 0.0010931500000000 ]- atom: 62 displacement: [ -0.0099999987502926, 0.0000000000000000, 0.0000049994145799 ] forces: - [ 0.0037663600000000, 0.0001244000000000, -0.0000638800000000 ] - [ 0.0027827800000000, -0.0002833800000000, -0.0006394600000000 ] - [ -0.0188099700000000, 0.0034747300000000, -0.0038848000000000 ] - [ 0.0009463700000000, 0.0002293500000000, -0.0000816100000000 ] - [ -0.0007383800000000, -0.0001824400000000, 0.0013201300000000 ] - [ 0.0024958700000000, 0.0004635400000000, 0.0013943000000000 ] - [ -0.0188598100000000, -0.0089676600000000, -0.0109897900000000 ] - [ -0.0044253100000000, 0.0009738000000000, -0.0003698200000000 ] - [ 0.0027706100000000, 0.0004048100000000, -0.0010313300000000 ] - [ 0.0057027200000000, 0.0039377000000000, -0.0005560200000000 ] - [ 0.0018162000000000, 0.0001707200000000, -0.0004881100000000 ] - [ -0.0021357600000000, 0.0010235900000000, 0.0079380300000000 ] - [ -0.0005181100000000, -0.0004560800000000, -0.0001154900000000 ] - [ 0.0018212600000000, -0.0032832600000000, -0.0072484500000000 ] - [ 0.0024308500000000, 0.0000487500000000, 0.0003618100000000 ] - [ 0.0009954800000000, -0.0001921600000000, 0.0004954800000000 ] - [ 0.0004914500000000, -0.0002010000000000, 0.0006992000000000 ] - [ -0.0000913800000000, -0.0003896500000000, -0.0007703000000000 ] - [ 0.0003033600000000, -0.0000792100000000, -0.0004587600000000 ] - [ 0.0001201200000000, -0.0003833300000000, 0.0004869300000000 ] - [ 0.0054806800000000, -0.0020378300000000, 0.0035787700000000 ] - [ 0.0015280700000000, -0.0000692200000000, -0.0002790300000000 ] - [ 0.0007324400000000, -0.0003340700000000, 0.0047839600000000 ] - [ -0.0130802500000000, 0.0032784500000000, -0.0010377400000000 ] - [ 0.0000994100000000, 0.0002832400000000, -0.0014992000000000 ] - [ 0.0032309900000000, 0.0025328600000000, -0.0073535800000000 ] - [ 0.0020131900000000, 0.0004322600000000, 0.0023955600000000 ] - [ 0.0003190300000000, 0.0005036200000000, 0.0016329300000000 ] - [ 0.0010021300000000, 0.0000241900000000, -0.0022721300000000 ] - [ -0.0056488100000000, 0.0010265200000000, -0.0025531200000000 ] - [ 0.0015177100000000, -0.0002709500000000, -0.0016969600000000 ] - [ -0.1008860300000000, 0.0389937900000000, -0.0594365900000000 ] - [ 0.0012386700000000, 0.0002197100000000, -0.0001644800000000 ] - [ 0.0021162000000000, 0.0000980900000000, 0.0005439200000000 ] - [ -0.0000767900000000, 0.0008823100000000, 0.0028130800000000 ] - [ 0.0034763100000000, -0.0001878600000000, 0.0005895800000000 ] - [ -0.0011232400000000, -0.0005445900000000, -0.0029958000000000 ] - [ 0.0001349200000000, 0.0006954800000000, -0.0003243400000000 ] - [ 0.0035639800000000, -0.0016671800000000, 0.0022145400000000 ] - [ 0.0009919200000000, -0.0006042600000000, 0.0011977900000000 ] - [ -0.0002674700000000, -0.0000043500000000, 0.0019865200000000 ] - [ -0.0004383800000000, -0.0004577400000000, -0.0003283000000000 ] - [ 0.0000195200000000, -0.0005298000000000, 0.0003867800000000 ] - [ 0.0002431000000000, -0.0003706500000000, -0.0010542700000000 ] - [ -0.0007600600000000, -0.0001750800000000, 0.0008259000000000 ] - [ -0.0004192300000000, 0.0000439400000000, -0.0006918400000000 ] - [ -0.0008048200000000, 0.0000514600000000, -0.0003690300000000 ] - [ -0.0000239900000000, -0.0003202500000000, 0.0005111000000000 ] - [ -0.0002396800000000, -0.0003709800000000, -0.0007317700000000 ] - [ -0.0000674800000000, -0.0002118600000000, 0.0006194200000000 ] - [ -0.0007918400000000, 0.0000239400000000, -0.0013592500000000 ] - [ -0.0000561200000000, -0.0000347900000000, 0.0011473600000000 ] - [ -0.0014409200000000, 0.0005534200000000, -0.0003825100000000 ] - [ -0.0009254200000000, -0.0001419900000000, -0.0002905700000000 ] - [ -0.0017987800000000, -0.0016441200000000, 0.0024669400000000 ] - [ 0.0005668000000000, -0.0001683800000000, -0.0001122800000000 ] - [ -0.0101320300000000, 0.0001325000000000, -0.0023212300000000 ] - [ 0.0112120300000000, 0.0003581800000000, -0.0008538700000000 ] - [ 0.0040315900000000, -0.0032418000000000, -0.0032129300000000 ] - [ -0.0009555600000000, 0.0016333700000000, -0.0032070500000000 ] - [ 0.0001576700000000, -0.0004027400000000, 0.0007119700000000 ] - [ 0.1638623600000000, -0.0255140300000000, 0.0865805100000000 ] - [ -0.0008271600000000, -0.0001396000000000, 0.0005117800000000 ] - [ -0.0021429400000000, 0.0001374500000000, 0.0018582100000000 ] - [ -0.0004985600000000, 0.0000232700000000, -0.0003004200000000 ] - [ -0.0010120000000000, -0.0002398000000000, 0.0002088600000000 ] - [ 0.0028319800000000, 0.0018890900000000, -0.0006265300000000 ] - [ -0.0108151700000000, 0.0001975200000000, 0.0060581700000000 ] - [ 0.0033991600000000, -0.0029833400000000, 0.0077668300000000 ] - [ -0.0005064100000000, 0.0002722900000000, -0.0009356000000000 ] - [ 0.0000083200000000, -0.0007565900000000, -0.0014055300000000 ] - [ -0.0009593600000000, 0.0004254500000000, -0.0008491800000000 ] - [ -0.0027709600000000, -0.0108638600000000, -0.0176704000000000 ] - [ -0.0024610500000000, -0.0003722000000000, -0.0006997000000000 ] - [ 0.0022121100000000, 0.0015096200000000, -0.0051634200000000 ] - [ -0.0003188500000000, -0.0000948800000000, 0.0001131200000000 ] - [ -0.0012005700000000, -0.0000001200000000, -0.0008046800000000 ] - [ 0.0061969500000000, 0.0013097400000000, 0.0009339900000000 ] - [ 0.0011639300000000, -0.0009338600000000, -0.0001360100000000 ] - [ 0.0006373600000000, -0.0006847400000000, -0.0016768500000000 ] - [ -0.0015611300000000, -0.0004512900000000, -0.0019106200000000 ] - [ -0.0022192000000000, -0.0000257200000000, 0.0008390300000000 ] - [ -0.0006602700000000, 0.0005522700000000, 0.0010287900000000 ] - [ -0.0191250500000000, 0.0005530000000000, 0.0017562000000000 ] - [ -0.0012479000000000, 0.0006057800000000, 0.0005485900000000 ] - [ 0.0003449800000000, -0.0002355700000000, -0.0000139000000000 ] - [ -0.0017773300000000, -0.0002172100000000, -0.0002087800000000 ] - [ -0.0011816600000000, 0.0004516600000000, 0.0008660700000000 ] - [ -0.0004299000000000, -0.0005529400000000, -0.0000569900000000 ] - [ -0.0005338700000000, 0.0002133000000000, 0.0007750400000000 ] - [ -0.0003116100000000, -0.0002771000000000, -0.0021022400000000 ] - [ -0.0014089200000000, 0.0002765100000000, -0.0001413800000000 ] - [ -0.0022040700000000, 0.0011785900000000, -0.0025090800000000 ] - [ -0.0026411700000000, -0.0001506400000000, 0.0006947100000000 ] - [ 0.0033696900000000, -0.0016210200000000, 0.0027006200000000 ] - [ -0.0044024400000000, -0.0009502100000000, -0.0033194600000000 ] - [ -0.0007086700000000, -0.0001642100000000, -0.0001465400000000 ] - [ -0.0014239400000000, 0.0002108300000000, 0.0000186700000000 ] - [ -0.0013605600000000, 0.0001369400000000, -0.0004241600000000 ] - [ 0.0013735800000000, -0.0002869300000000, 0.0016936900000000 ] - [ -0.0001906300000000, -0.0001033700000000, -0.0001652500000000 ] - [ 0.0015183800000000, -0.0005385800000000, 0.0006445800000000 ] - [ -0.0013460100000000, 0.0000908900000000, -0.0000609500000000 ] - [ -0.0024774800000000, -0.0009308200000000, 0.0019992200000000 ] - [ -0.0006644700000000, 0.0002137300000000, 0.0000762700000000 ] - [ -0.0007343600000000, 0.0003568100000000, -0.0016889200000000 ] - [ 0.0035513000000000, 0.0016824700000000, 0.0039872700000000 ] - [ -0.0008640800000000, 0.0002702800000000, -0.0000512100000000 ] - [ -0.0001808500000000, 0.0003541100000000, -0.0006872000000000 ] - [ 0.0005674500000000, 0.0005209600000000, 0.0009145600000000 ] - [ 0.0005338100000000, 0.0014343300000000, 0.0018641100000000 ] - [ -0.0030069100000000, -0.0001883800000000, -0.0005602300000000 ]- atom: 62 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008119200000000, -0.0002308600000000, 0.0013193800000000 ] - [ 0.0002158800000000, -0.0000736300000000, 0.0002039100000000 ] - [ -0.0038832100000000, 0.0098694300000000, 0.0046462700000000 ] - [ 0.0003496100000000, 0.0000696900000000, 0.0003164600000000 ] - [ -0.0005433900000000, -0.0001847300000000, -0.0000257100000000 ] - [ 0.0000302200000000, 0.0002629200000000, 0.0007480500000000 ] - [ 0.0116395100000000, 0.0109395300000000, 0.0130685600000000 ] - [ 0.0007248200000000, 0.0000874300000000, 0.0004231000000000 ] - [ 0.0004819900000000, 0.0004720300000000, -0.0006421600000000 ] - [ 0.0001373300000000, 0.0007047700000000, -0.0016645200000000 ] - [ 0.0002608100000000, 0.0002698000000000, -0.0006262600000000 ] - [ -0.0026543500000000, -0.0005112400000000, 0.0006464200000000 ] - [ 0.0003870200000000, -0.0002283700000000, 0.0001143200000000 ] - [ -0.0003599800000000, -0.0005974200000000, -0.0013620700000000 ] - [ 0.0004598400000000, -0.0000482100000000, 0.0001590600000000 ] - [ -0.0001034200000000, 0.0000211800000000, -0.0002844500000000 ] - [ 0.0002866500000000, -0.0002125200000000, 0.0001009800000000 ] - [ 0.0000115700000000, -0.0004618300000000, -0.0004448400000000 ] - [ 0.0002326700000000, -0.0002004200000000, -0.0000854200000000 ] - [ -0.0001658200000000, -0.0003008700000000, 0.0000427100000000 ] - [ -0.0011909500000000, 0.0001763200000000, 0.0001033300000000 ] - [ -0.0000216000000000, 0.0000294200000000, -0.0001428600000000 ] - [ 0.0005969100000000, -0.0000058400000000, 0.0008262800000000 ] - [ -0.0040863900000000, -0.0093118300000000, 0.0031426400000000 ] - [ -0.0001278500000000, 0.0005630700000000, -0.0001185400000000 ] - [ 0.0003246700000000, 0.0002152300000000, -0.0004634400000000 ] - [ 0.0002355300000000, -0.0002206400000000, 0.0000185600000000 ] - [ 0.0009359600000000, 0.0005357600000000, 0.0000805300000000 ] - [ 0.0001361700000000, 0.0000692600000000, -0.0004210500000000 ] - [ -0.0009115600000000, -0.0013514600000000, -0.0007479900000000 ] - [ -0.0001819700000000, -0.0004159000000000, -0.0003536700000000 ] - [ -0.0441691500000000, 0.0451247700000000, -0.0344871600000000 ] - [ 0.0003312900000000, 0.0000895700000000, 0.0001945700000000 ] - [ 0.0003773300000000, 0.0000217300000000, 0.0003323000000000 ] - [ -0.0009313900000000, 0.0005361600000000, 0.0004589700000000 ] - [ 0.0008569200000000, -0.0005220200000000, -0.0003380100000000 ] - [ 0.0000108400000000, -0.0004597500000000, -0.0000248500000000 ] - [ 0.0002916600000000, 0.0006798000000000, -0.0003857800000000 ] - [ 0.0016642000000000, -0.0007019900000000, 0.0004451800000000 ] - [ 0.0000634700000000, -0.0002631700000000, 0.0002347800000000 ] - [ -0.0017005100000000, 0.0005473900000000, 0.0018696900000000 ] - [ -0.0002346900000000, -0.0003655400000000, 0.0001080600000000 ] - [ 0.0000016800000000, -0.0004986000000000, 0.0000400500000000 ] - [ 0.0000709800000000, -0.0002415300000000, 0.0001742700000000 ] - [ -0.0004998300000000, -0.0000829400000000, -0.0000270300000000 ] - [ 0.0001601600000000, 0.0000866900000000, 0.0000537700000000 ] - [ -0.0003281700000000, 0.0000612600000000, -0.0000898500000000 ] - [ -0.0001254000000000, -0.0003809900000000, 0.0003025100000000 ] - [ 0.0001117100000000, -0.0003628100000000, -0.0002337200000000 ] - [ 0.0001935000000000, -0.0001929500000000, 0.0003251900000000 ] - [ -0.0003831700000000, -0.0001789900000000, -0.0005644800000000 ] - [ 0.0002170400000000, 0.0000868800000000, 0.0002999400000000 ] - [ 0.0002637200000000, 0.0000319700000000, -0.0003960600000000 ] - [ 0.0001587500000000, 0.0001498000000000, -0.0007273000000000 ] - [ -0.0003630300000000, 0.0026452900000000, -0.0013952700000000 ] - [ -0.0000047200000000, -0.0000113500000000, 0.0000245700000000 ] - [ 0.0041668800000000, 0.0009512300000000, -0.0003737400000000 ] - [ -0.0015437700000000, 0.0294271700000000, -0.0013666200000000 ] - [ -0.0004514400000000, 0.0004812400000000, 0.0002804400000000 ] - [ 0.0001223900000000, -0.0002195100000000, -0.0006140400000000 ] - [ 0.0000584400000000, -0.0001983300000000, 0.0000948600000000 ] - [ 0.0268037500000000, -0.0818751400000000, -0.0042570900000000 ] - [ -0.0001614700000000, -0.0000098200000000, -0.0000735600000000 ] - [ -0.0006614600000000, 0.0001268600000000, 0.0000295300000000 ] - [ 0.0004712000000000, 0.0000071400000000, -0.0000018000000000 ] - [ -0.0004410300000000, -0.0003415300000000, -0.0001387100000000 ] - [ 0.0007240600000000, 0.0003819900000000, 0.0001652200000000 ] - [ -0.0028324300000000, -0.0017255300000000, -0.0000090000000000 ] - [ 0.0008840700000000, -0.0025022100000000, -0.0007302300000000 ] - [ 0.0002567600000000, 0.0002689100000000, -0.0002582100000000 ] - [ -0.0004734300000000, -0.0002611300000000, -0.0002316000000000 ] - [ 0.0001063700000000, 0.0000994200000000, -0.0000552900000000 ] - [ 0.0136885000000000, -0.0035519900000000, 0.0158027400000000 ] - [ 0.0004948300000000, 0.0004581300000000, -0.0008190900000000 ] - [ -0.0010105500000000, -0.0008584500000000, 0.0000474400000000 ] - [ -0.0004758600000000, -0.0001570400000000, -0.0002285100000000 ] - [ 0.0000716500000000, 0.0001436600000000, -0.0004246000000000 ] - [ 0.0031857300000000, 0.0023720000000000, 0.0016700600000000 ] - [ -0.0002389800000000, -0.0001526700000000, 0.0003526400000000 ] - [ 0.0006117000000000, -0.0001899000000000, -0.0002781500000000 ] - [ 0.0003161700000000, -0.0001055700000000, -0.0003582100000000 ] - [ -0.0006772100000000, -0.0003297600000000, -0.0001180200000000 ] - [ 0.0002581400000000, 0.0003331600000000, 0.0003976600000000 ] - [ 0.0010301400000000, -0.0055212600000000, 0.0041272500000000 ] - [ -0.0002149300000000, 0.0003232000000000, 0.0006015900000000 ] - [ 0.0004699400000000, -0.0001762400000000, 0.0002794000000000 ] - [ -0.0001535200000000, -0.0001524900000000, -0.0000542600000000 ] - [ -0.0003107600000000, 0.0002074000000000, 0.0006441900000000 ] - [ 0.0002144400000000, -0.0004163900000000, 0.0000876300000000 ] - [ 0.0002771200000000, 0.0001428800000000, 0.0001291400000000 ] - [ 0.0006582700000000, 0.0000453600000000, -0.0002431600000000 ] - [ -0.0003498200000000, 0.0001611400000000, 0.0002191400000000 ] - [ -0.0012202900000000, 0.0019265200000000, -0.0014373000000000 ] - [ -0.0010809800000000, 0.0000533800000000, 0.0006736500000000 ] - [ 0.0000463600000000, 0.0055570300000000, 0.0009875700000000 ] - [ -0.0023136500000000, -0.0019947500000000, -0.0015147800000000 ] - [ -0.0002652400000000, 0.0000345100000000, -0.0000161100000000 ] - [ -0.0004928000000000, 0.0002403900000000, 0.0001436300000000 ] - [ -0.0004229800000000, -0.0000244600000000, 0.0002045100000000 ] - [ 0.0007300700000000, -0.0000196100000000, -0.0006075400000000 ] - [ -0.0000895600000000, -0.0001676200000000, 0.0000526100000000 ] - [ -0.0000589500000000, 0.0001754600000000, -0.0001636900000000 ] - [ -0.0006458200000000, -0.0000273800000000, -0.0001017500000000 ] - [ -0.0004094000000000, 0.0001681400000000, 0.0002074100000000 ] - [ -0.0000587800000000, 0.0000731700000000, 0.0000759400000000 ] - [ 0.0001477400000000, -0.0000821200000000, -0.0001264700000000 ] - [ 0.0017705700000000, 0.0007122300000000, 0.0021201900000000 ] - [ -0.0003896400000000, 0.0002609700000000, 0.0001563500000000 ] - [ -0.0005598100000000, -0.0000886300000000, 0.0000289800000000 ] - [ 0.0002183900000000, 0.0000043200000000, -0.0000759800000000 ] - [ 0.0006815800000000, 0.0003268600000000, 0.0000450100000000 ] - [ -0.0005225200000000, -0.0000430700000000, 0.0002808000000000 ]- atom: 62 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008010000000000, 0.0011005300000000, -0.0013190600000000 ] - [ -0.0007337500000000, -0.0000699700000000, -0.0009051900000000 ] - [ 0.0033082700000000, -0.0087613400000000, -0.0053845700000000 ] - [ -0.0005797400000000, -0.0000011500000000, 0.0001123600000000 ] - [ 0.0005416400000000, -0.0002667000000000, 0.0000305900000000 ] - [ 0.0002064900000000, 0.0003355800000000, 0.0004790000000000 ] - [ -0.0114796600000000, -0.0111000600000000, -0.0126522100000000 ] - [ -0.0004867700000000, -0.0000206400000000, -0.0008324100000000 ] - [ -0.0004760600000000, 0.0003977800000000, 0.0006366300000000 ] - [ -0.0006432200000000, -0.0008238100000000, 0.0009521300000000 ] - [ -0.0004920300000000, 0.0003284300000000, -0.0005986900000000 ] - [ 0.0024186200000000, 0.0005823500000000, -0.0001944600000000 ] - [ -0.0003847800000000, -0.0002237600000000, -0.0001096400000000 ] - [ 0.0005827400000000, 0.0011711000000000, 0.0025486900000000 ] - [ 0.0000635900000000, -0.0000953400000000, 0.0005450100000000 ] - [ 0.0003370500000000, 0.0000467100000000, -0.0001391900000000 ] - [ 0.0002122800000000, -0.0001913500000000, -0.0000009500000000 ] - [ -0.0005049200000000, -0.0000166700000000, 0.0003385900000000 ] - [ 0.0002644800000000, -0.0002024000000000, 0.0001846200000000 ] - [ -0.0003286300000000, -0.0001765900000000, -0.0001413700000000 ] - [ 0.0009995400000000, -0.0013507000000000, 0.0006493500000000 ] - [ -0.0005994400000000, 0.0000192400000000, -0.0004258500000000 ] - [ 0.0001050500000000, 0.0002078900000000, 0.0002020500000000 ] - [ 0.0046415400000000, 0.0092881900000000, -0.0025487300000000 ] - [ -0.0009456300000000, 0.0005852300000000, 0.0001580200000000 ] - [ -0.0001451300000000, -0.0014137000000000, -0.0002931000000000 ] - [ 0.0004336600000000, -0.0002514600000000, -0.0000718000000000 ] - [ 0.0001403500000000, 0.0006112400000000, -0.0001124600000000 ] - [ -0.0008298400000000, 0.0001347700000000, -0.0005936300000000 ] - [ 0.0002517600000000, 0.0008579400000000, 0.0008055700000000 ] - [ -0.0000154100000000, -0.0007582200000000, 0.0011009000000000 ] - [ 0.0443553900000000, -0.0450631400000000, 0.0344724900000000 ] - [ 0.0003646400000000, 0.0001146500000000, 0.0008208600000000 ] - [ 0.0002481600000000, 0.0000266400000000, 0.0002389600000000 ] - [ -0.0001378100000000, 0.0006139100000000, -0.0004145800000000 ] - [ -0.0006559600000000, -0.0006559100000000, -0.0004173300000000 ] - [ 0.0006458700000000, -0.0000129600000000, -0.0000258800000000 ] - [ 0.0007726600000000, 0.0004670900000000, 0.0003525600000000 ] - [ -0.0023537900000000, 0.0009078900000000, -0.0014580900000000 ] - [ -0.0007232000000000, -0.0002101300000000, -0.0001743800000000 ] - [ 0.0013648900000000, -0.0003787300000000, -0.0019954700000000 ] - [ -0.0000233700000000, -0.0004204700000000, 0.0002082800000000 ] - [ 0.0002539500000000, -0.0002979900000000, -0.0003469700000000 ] - [ 0.0003229900000000, -0.0002011400000000, 0.0001321800000000 ] - [ 0.0000976900000000, -0.0003538200000000, -0.0002857000000000 ] - [ 0.0001571000000000, 0.0000758200000000, 0.0000897400000000 ] - [ 0.0000092300000000, 0.0000983200000000, -0.0000652200000000 ] - [ -0.0001287200000000, -0.0004141200000000, 0.0000067300000000 ] - [ 0.0001442500000000, -0.0004402900000000, -0.0000677500000000 ] - [ 0.0002097400000000, -0.0002441300000000, -0.0000109300000000 ] - [ -0.0000228400000000, -0.0002552500000000, 0.0002465500000000 ] - [ 0.0001012300000000, 0.0000720100000000, -0.0001451800000000 ] - [ 0.0002550200000000, 0.0005428700000000, 0.0003082700000000 ] - [ 0.0002753700000000, 0.0002490400000000, -0.0004770700000000 ] - [ 0.0003662300000000, -0.0021627700000000, 0.0023858300000000 ] - [ 0.0004912200000000, -0.0001275600000000, 0.0002960600000000 ] - [ -0.0042536200000000, -0.0009729200000000, -0.0001586500000000 ] - [ 0.0010488200000000, -0.0290110000000000, 0.0024614100000000 ] - [ 0.0008232800000000, -0.0013513500000000, -0.0002649100000000 ] - [ 0.0006732800000000, 0.0004687200000000, 0.0003194900000000 ] - [ 0.0004867300000000, -0.0002668700000000, 0.0001313400000000 ] - [ -0.0271223700000000, 0.0815767800000000, 0.0041376800000000 ] - [ 0.0002824100000000, 0.0001952400000000, 0.0001124800000000 ] - [ -0.0001457000000000, 0.0001195800000000, 0.0002608000000000 ] - [ 0.0004284700000000, -0.0000194900000000, 0.0000269200000000 ] - [ 0.0000568300000000, -0.0005361300000000, 0.0001216500000000 ] - [ -0.0006904700000000, -0.0000961400000000, -0.0000087200000000 ] - [ 0.0023302600000000, 0.0022771000000000, 0.0000921800000000 ] - [ -0.0012081200000000, 0.0023776900000000, 0.0013847400000000 ] - [ 0.0001450400000000, 0.0001878800000000, -0.0001649500000000 ] - [ -0.0000755500000000, -0.0002047800000000, -0.0000003400000000 ] - [ -0.0001373000000000, 0.0001826000000000, -0.0001047600000000 ] - [ -0.0146177700000000, 0.0035368700000000, -0.0158119600000000 ] - [ -0.0005092000000000, 0.0000150000000000, -0.0001665900000000 ] - [ 0.0008884300000000, 0.0010377400000000, -0.0000940400000000 ] - [ -0.0000145000000000, 0.0000182000000000, -0.0000975400000000 ] - [ 0.0003036500000000, 0.0000882400000000, -0.0001186600000000 ] - [ -0.0035627100000000, -0.0018998100000000, -0.0012367600000000 ] - [ -0.0004795100000000, -0.0000250600000000, -0.0001909600000000 ] - [ 0.0001108600000000, 0.0000082100000000, 0.0001050100000000 ] - [ 0.0000293300000000, -0.0000298500000000, -0.0003479300000000 ] - [ 0.0007774200000000, 0.0003195000000000, 0.0006530200000000 ] - [ 0.0002637400000000, 0.0002433000000000, -0.0004798200000000 ] - [ -0.0006907800000000, 0.0059356200000000, -0.0053509300000000 ] - [ 0.0002283300000000, 0.0001505800000000, 0.0003848100000000 ] - [ 0.0000221200000000, 0.0000364400000000, 0.0000439600000000 ] - [ 0.0000488500000000, 0.0001382800000000, -0.0004782400000000 ] - [ -0.0001259700000000, 0.0001919100000000, 0.0005594600000000 ] - [ 0.0001681100000000, -0.0004618200000000, -0.0000716800000000 ] - [ 0.0005283000000000, 0.0001045800000000, -0.0004183500000000 ] - [ -0.0001128100000000, -0.0005111200000000, 0.0004641100000000 ] - [ -0.0000293200000000, 0.0000712800000000, 0.0003217700000000 ] - [ 0.0013347400000000, -0.0017438300000000, 0.0014742800000000 ] - [ 0.0002676300000000, 0.0001930100000000, -0.0003792600000000 ] - [ 0.0008617400000000, -0.0054943800000000, -0.0009880000000000 ] - [ 0.0019377100000000, 0.0011222400000000, 0.0015002000000000 ] - [ 0.0002918700000000, 0.0002457200000000, 0.0001723800000000 ] - [ -0.0000306600000000, 0.0003351300000000, -0.0000555800000000 ] - [ 0.0000730900000000, -0.0001089300000000, 0.0004961100000000 ] - [ -0.0003175600000000, 0.0004685000000000, 0.0001795700000000 ] - [ -0.0004546300000000, -0.0002978500000000, -0.0002812300000000 ] - [ 0.0000301900000000, 0.0001051500000000, 0.0000015700000000 ] - [ -0.0002567600000000, 0.0000144200000000, 0.0000745000000000 ] - [ 0.0003865300000000, 0.0002997300000000, -0.0011796000000000 ] - [ -0.0000637400000000, 0.0001130400000000, -0.0001159500000000 ] - [ -0.0006398500000000, -0.0000545400000000, -0.0002038400000000 ] - [ -0.0013659900000000, -0.0004620400000000, -0.0026143800000000 ] - [ -0.0000148700000000, 0.0001956600000000, 0.0002630400000000 ] - [ -0.0001618600000000, -0.0000912600000000, 0.0001363600000000 ] - [ 0.0005036200000000, -0.0001844300000000, -0.0000959000000000 ] - [ -0.0003210200000000, -0.0004544800000000, -0.0007464100000000 ] - [ 0.0006202400000000, 0.0000311700000000, 0.0002529300000000 ]- atom: 62 displacement: [ -0.0057565208649526, 0.0000000000000000, 0.0081769473235044 ] forces: - [ 0.0013406000000000, 0.0001898700000000, 0.0035208600000000 ] - [ 0.0012837500000000, -0.0002317100000000, 0.0003348900000000 ] - [ -0.0107022000000000, 0.0084507500000000, 0.0162853200000000 ] - [ 0.0006658800000000, 0.0000717200000000, -0.0004811800000000 ] - [ -0.0011195500000000, -0.0001795900000000, -0.0011306400000000 ] - [ 0.0001394400000000, 0.0002757900000000, 0.0008639400000000 ] - [ -0.0060383900000000, 0.0020571300000000, 0.0084597100000000 ] - [ -0.0012401400000000, 0.0004874000000000, -0.0047476700000000 ] - [ 0.0010582400000000, 0.0002322600000000, 0.0003761800000000 ] - [ 0.0011899500000000, 0.0014271100000000, 0.0031225300000000 ] - [ 0.0003666100000000, 0.0002715000000000, -0.0007291900000000 ] - [ -0.0030212300000000, -0.0002278300000000, -0.0002941200000000 ] - [ 0.0002797200000000, -0.0003216100000000, -0.0012872000000000 ] - [ 0.0049285500000000, -0.0002421500000000, -0.0012658700000000 ] - [ 0.0011430000000000, 0.0000562200000000, 0.0001798700000000 ] - [ -0.0000136400000000, 0.0000115900000000, -0.0008790500000000 ] - [ 0.0000888400000000, -0.0002694900000000, 0.0000006000000000 ] - [ 0.0001595200000000, -0.0004329100000000, -0.0006977400000000 ] - [ 0.0004396200000000, -0.0001854400000000, -0.0004033700000000 ] - [ -0.0003316800000000, -0.0002704300000000, -0.0000705800000000 ] - [ -0.0012844800000000, -0.0001051100000000, 0.0010570900000000 ] - [ 0.0003644700000000, -0.0000302100000000, -0.0002856700000000 ] - [ -0.0021293800000000, 0.0002472800000000, 0.0006475800000000 ] - [ 0.0000580300000000, 0.0071888000000000, 0.0048398200000000 ] - [ 0.0013689200000000, 0.0002342200000000, -0.0018681500000000 ] - [ 0.0055005800000000, 0.0015396700000000, -0.0015820200000000 ] - [ -0.0001596200000000, -0.0001806200000000, -0.0002297000000000 ] - [ 0.0001004500000000, 0.0006895800000000, -0.0008321400000000 ] - [ 0.0008541700000000, 0.0000963100000000, -0.0012425600000000 ] - [ -0.0039564200000000, 0.0018380700000000, -0.0045178800000000 ] - [ 0.0019190300000000, -0.0008179200000000, -0.0000809100000000 ] - [ -0.0100438200000000, -0.0007121800000000, 0.0252924200000000 ] - [ 0.0008638000000000, 0.0000685200000000, -0.0003648100000000 ] - [ 0.0006993600000000, 0.0000769400000000, 0.0002476000000000 ] - [ -0.0015543500000000, 0.0003478800000000, -0.0000148200000000 ] - [ 0.0006587500000000, -0.0004518900000000, 0.0000413900000000 ] - [ 0.0013347500000000, -0.0003414400000000, -0.0026193900000000 ] - [ 0.0016325400000000, 0.0010799400000000, -0.0021969000000000 ] - [ -0.0010585800000000, -0.0002203000000000, 0.0006264000000000 ] - [ -0.0003105200000000, -0.0002330500000000, -0.0002798700000000 ] - [ -0.0017546100000000, 0.0003816800000000, 0.0017492100000000 ] - [ 0.0000430400000000, -0.0004206600000000, 0.0002403000000000 ] - [ -0.0004069800000000, -0.0006096200000000, 0.0004262400000000 ] - [ 0.0005767000000000, -0.0001466400000000, 0.0003287700000000 ] - [ -0.0010597900000000, -0.0000194300000000, 0.0007290100000000 ] - [ 0.0003971200000000, 0.0000283400000000, -0.0000827400000000 ] - [ -0.0001631600000000, 0.0000884200000000, -0.0001179800000000 ] - [ -0.0005558300000000, -0.0002349200000000, 0.0007285600000000 ] - [ 0.0003696600000000, -0.0003086000000000, -0.0001441300000000 ] - [ -0.0003067600000000, -0.0002850500000000, 0.0009464800000000 ] - [ 0.0000404000000000, -0.0002604500000000, -0.0003854300000000 ] - [ -0.0004839000000000, 0.0000013700000000, 0.0007807200000000 ] - [ 0.0001688700000000, -0.0001232500000000, -0.0008255100000000 ] - [ -0.0000780400000000, 0.0000484400000000, -0.0006549900000000 ] - [ -0.0025124500000000, 0.0005998800000000, -0.0022303500000000 ] - [ 0.0006799800000000, 0.0000247800000000, 0.0008993700000000 ] - [ 0.0031711300000000, 0.0005060200000000, -0.0004311300000000 ] - [ 0.0060109900000000, 0.0017628700000000, -0.0060086000000000 ] - [ 0.0022945100000000, -0.0006487700000000, 0.0001201700000000 ] - [ 0.0017976900000000, 0.0000152200000000, -0.0022646400000000 ] - [ -0.0001943000000000, -0.0002424600000000, 0.0007746900000000 ] - [ 0.0237976100000000, -0.0193913600000000, -0.0501220700000000 ] - [ -0.0005161200000000, -0.0001289300000000, 0.0002074800000000 ] - [ -0.0012883500000000, 0.0002226400000000, 0.0004664600000000 ] - [ 0.0003576500000000, -0.0000446900000000, 0.0000906500000000 ] - [ -0.0007559800000000, -0.0002474000000000, 0.0000164200000000 ] - [ 0.0018549200000000, 0.0009513300000000, 0.0009830700000000 ] - [ -0.0072353600000000, 0.0001853400000000, -0.0000326400000000 ] - [ -0.0021709100000000, -0.0044460200000000, 0.0116686900000000 ] - [ 0.0003158300000000, 0.0002572000000000, -0.0001561100000000 ] - [ 0.0001725300000000, -0.0003636600000000, 0.0007347300000000 ] - [ 0.0003241500000000, 0.0000846400000000, 0.0002027000000000 ] - [ 0.0112077300000000, 0.0002942800000000, 0.0031528200000000 ] - [ 0.0001815200000000, 0.0005382600000000, -0.0012600200000000 ] - [ 0.0026391400000000, -0.0005523400000000, 0.0016906400000000 ] - [ -0.0007195200000000, -0.0003228400000000, 0.0002454300000000 ] - [ -0.0001743800000000, 0.0001747500000000, -0.0005333000000000 ] - [ 0.0035062500000000, 0.0010104300000000, 0.0016053000000000 ] - [ 0.0001267100000000, -0.0012108600000000, 0.0020558900000000 ] - [ 0.0007439700000000, -0.0001958200000000, 0.0000671200000000 ] - [ 0.0003519300000000, -0.0000486500000000, -0.0003126400000000 ] - [ -0.0024008600000000, -0.0008585700000000, -0.0008384500000000 ] - [ -0.0006061400000000, 0.0005272600000000, -0.0000811500000000 ] - [ -0.0129762100000000, 0.0036168800000000, -0.0092480800000000 ] - [ -0.0003463300000000, 0.0002777400000000, 0.0004175500000000 ] - [ 0.0003682800000000, -0.0001336200000000, 0.0007352800000000 ] - [ -0.0012827900000000, 0.0001906800000000, -0.0005667200000000 ] - [ -0.0005040500000000, 0.0002696200000000, 0.0007459100000000 ] - [ 0.0000112500000000, -0.0004712300000000, 0.0001926900000000 ] - [ -0.0000933600000000, 0.0000976500000000, 0.0004123600000000 ] - [ 0.0009540600000000, -0.0001175200000000, 0.0001083100000000 ] - [ -0.0005557400000000, 0.0001667300000000, 0.0001815400000000 ] - [ 0.0013761300000000, 0.0004418500000000, -0.0009537200000000 ] - [ -0.0005207500000000, -0.0001769900000000, -0.0010349500000000 ] - [ -0.0011605400000000, -0.0016726500000000, 0.0037631900000000 ] - [ 0.0004438800000000, -0.0004522500000000, -0.0010837800000000 ] - [ -0.0000973400000000, 0.0000107000000000, 0.0003495100000000 ] - [ -0.0005441500000000, 0.0003146400000000, -0.0000258200000000 ] - [ -0.0003882800000000, -0.0001321200000000, 0.0004146100000000 ] - [ -0.0008330400000000, -0.0003254200000000, 0.0016967800000000 ] - [ -0.0002254400000000, -0.0001018300000000, 0.0006511000000000 ] - [ -0.0000224300000000, 0.0003844900000000, 0.0011423700000000 ] - [ -0.0007992000000000, 0.0000574500000000, 0.0000500200000000 ] - [ -0.0013689200000000, -0.0007079900000000, 0.0001127700000000 ] - [ -0.0002963000000000, 0.0001422700000000, 0.0002757700000000 ] - [ 0.0006311600000000, 0.0001403400000000, 0.0002818900000000 ] - [ -0.0013476300000000, -0.0009170200000000, -0.0037668600000000 ] - [ -0.0003787900000000, 0.0003132400000000, 0.0003789500000000 ] - [ -0.0005773000000000, -0.0001388500000000, 0.0006618500000000 ] - [ -0.0005094100000000, 0.0003936100000000, 0.0015791400000000 ] - [ -0.0013852000000000, 0.0005138000000000, 0.0005010800000000 ] - [ -0.0007927000000000, -0.0000610100000000, -0.0001965100000000 ]- atom: 62 displacement: [ 0.0057565208649526, 0.0000000000000000, -0.0081769473235044 ] forces: - [ -0.0013297600000000, 0.0006774000000000, -0.0034964100000000 ] - [ -0.0017945900000000, 0.0000866400000000, -0.0010316700000000 ] - [ 0.0100662900000000, -0.0071078200000000, -0.0168660500000000 ] - [ -0.0008924500000000, -0.0000036800000000, 0.0009074200000000 ] - [ 0.0011056900000000, -0.0002720600000000, 0.0011309800000000 ] - [ 0.0000958000000000, 0.0003226300000000, 0.0003639700000000 ] - [ 0.0065925200000000, -0.0021115800000000, -0.0076205500000000 ] - [ 0.0014911400000000, -0.0004254900000000, 0.0043419700000000 ] - [ -0.0010515600000000, 0.0006382700000000, -0.0003876500000000 ] - [ -0.0016918400000000, -0.0015649000000000, -0.0038536900000000 ] - [ -0.0005953700000000, 0.0003266300000000, -0.0004965200000000 ] - [ 0.0027606400000000, 0.0003036800000000, 0.0007637900000000 ] - [ -0.0002727000000000, -0.0001292500000000, 0.0012896000000000 ] - [ -0.0047156500000000, 0.0008287300000000, 0.0024625400000000 ] - [ -0.0006183800000000, -0.0002000700000000, 0.0005212800000000 ] - [ 0.0002441500000000, 0.0000557600000000, 0.0004532100000000 ] - [ 0.0004049000000000, -0.0001332300000000, 0.0000876000000000 ] - [ -0.0006546900000000, -0.0000428000000000, 0.0005990600000000 ] - [ 0.0000562500000000, -0.0002191500000000, 0.0005015500000000 ] - [ -0.0001628200000000, -0.0002046600000000, -0.0000259700000000 ] - [ 0.0010778900000000, -0.0010657200000000, -0.0003028900000000 ] - [ -0.0009830600000000, 0.0000783800000000, -0.0002828400000000 ] - [ 0.0028246800000000, -0.0000405300000000, 0.0003622900000000 ] - [ 0.0006171400000000, -0.0071502400000000, -0.0043974600000000 ] - [ -0.0024349700000000, 0.0009127000000000, 0.0019057200000000 ] - [ -0.0052715700000000, -0.0027120200000000, 0.0008258700000000 ] - [ 0.0008251300000000, -0.0002901200000000, 0.0001760400000000 ] - [ 0.0009779800000000, 0.0004565100000000, 0.0007947600000000 ] - [ -0.0015428500000000, 0.0001075300000000, 0.0002248000000000 ] - [ 0.0032306900000000, -0.0022907200000000, 0.0045525300000000 ] - [ -0.0021138600000000, -0.0003570300000000, 0.0008234300000000 ] - [ 0.0089341800000000, 0.0010171000000000, -0.0263171900000000 ] - [ -0.0001680200000000, 0.0001355100000000, 0.0013761700000000 ] - [ -0.0000734500000000, -0.0000288000000000, 0.0003232000000000 ] - [ 0.0004803200000000, 0.0007999200000000, 0.0000656000000000 ] - [ -0.0004520200000000, -0.0007251000000000, -0.0007977300000000 ] - [ -0.0006738800000000, -0.0001287200000000, 0.0025630700000000 ] - [ -0.0005631800000000, 0.0000702800000000, 0.0021478600000000 ] - [ 0.0003890400000000, 0.0004116600000000, -0.0016354100000000 ] - [ -0.0003470100000000, -0.0002388000000000, 0.0003389200000000 ] - [ 0.0014358600000000, -0.0002253700000000, -0.0018896700000000 ] - [ -0.0002979600000000, -0.0003656900000000, 0.0000697400000000 ] - [ 0.0006629500000000, -0.0001872900000000, -0.0007289600000000 ] - [ -0.0001807400000000, -0.0002932600000000, -0.0000182100000000 ] - [ 0.0006574000000000, -0.0004178200000000, -0.0010396300000000 ] - [ -0.0000848500000000, 0.0001266700000000, 0.0002264700000000 ] - [ -0.0001491800000000, 0.0000634600000000, -0.0000348600000000 ] - [ 0.0003003000000000, -0.0005548900000000, -0.0004165600000000 ] - [ -0.0001157900000000, -0.0004885300000000, -0.0001575000000000 ] - [ 0.0007065000000000, -0.0001529500000000, -0.0006307000000000 ] - [ -0.0004464800000000, -0.0001725100000000, 0.0000629900000000 ] - [ 0.0007976400000000, 0.0001539600000000, -0.0006290500000000 ] - [ 0.0003506100000000, 0.0006965900000000, 0.0007329500000000 ] - [ 0.0005135100000000, 0.0003500400000000, -0.0005513600000000 ] - [ 0.0024972500000000, -0.0001186300000000, 0.0031788100000000 ] - [ -0.0001928500000000, -0.0001643100000000, -0.0005784300000000 ] - [ -0.0032272100000000, -0.0005144900000000, -0.0001071900000000 ] - [ -0.0064514900000000, -0.0013244000000000, 0.0072494100000000 ] - [ -0.0019225500000000, -0.0002237500000000, -0.0000983400000000 ] - [ -0.0009862000000000, 0.0002250300000000, 0.0019755700000000 ] - [ 0.0007331400000000, -0.0002222900000000, -0.0005468800000000 ] - [ -0.0235564000000000, 0.0185125500000000, 0.0503431900000000 ] - [ 0.0006329900000000, 0.0003120800000000, -0.0001685900000000 ] - [ 0.0004777600000000, 0.0000250900000000, -0.0001779000000000 ] - [ 0.0005448000000000, 0.0000344400000000, -0.0000678900000000 ] - [ 0.0003678200000000, -0.0006277800000000, -0.0000342100000000 ] - [ -0.0017989900000000, -0.0006514300000000, -0.0008267400000000 ] - [ 0.0066463000000000, 0.0003957400000000, 0.0001058200000000 ] - [ 0.0017837300000000, 0.0042464600000000, -0.0107758100000000 ] - [ 0.0000884800000000, 0.0001983500000000, -0.0002684400000000 ] - [ -0.0007172500000000, -0.0001009500000000, -0.0009641800000000 ] - [ -0.0003505600000000, 0.0001984900000000, -0.0003621500000000 ] - [ -0.0120605800000000, -0.0003135700000000, -0.0032736900000000 ] - [ -0.0001942700000000, -0.0000645800000000, 0.0002701400000000 ] - [ -0.0027737200000000, 0.0007352400000000, -0.0017266400000000 ] - [ 0.0002252200000000, 0.0001816100000000, -0.0005705200000000 ] - [ 0.0005512500000000, 0.0000581800000000, -0.0000113500000000 ] - [ -0.0038463400000000, -0.0005533700000000, -0.0011749700000000 ] - [ -0.0008282100000000, 0.0010175500000000, -0.0018808700000000 ] - [ -0.0000192200000000, 0.0000119900000000, -0.0002396000000000 ] - [ -0.0000041900000000, -0.0000829200000000, -0.0003955600000000 ] - [ 0.0024850500000000, 0.0008378800000000, 0.0013624300000000 ] - [ 0.0011256600000000, 0.0000507300000000, 0.0000025200000000 ] - [ 0.0136026000000000, -0.0032127600000000, 0.0081270900000000 ] - [ 0.0003600900000000, 0.0001947400000000, 0.0005689000000000 ] - [ 0.0001284100000000, -0.0000094100000000, -0.0004092100000000 ] - [ 0.0011812200000000, -0.0002073900000000, 0.0000383100000000 ] - [ 0.0000653900000000, 0.0001298000000000, 0.0004596900000000 ] - [ 0.0003739900000000, -0.0004045400000000, -0.0001747500000000 ] - [ 0.0008977700000000, 0.0001499800000000, -0.0006964500000000 ] - [ -0.0004123100000000, -0.0003488100000000, 0.0001086000000000 ] - [ 0.0001741600000000, 0.0000664800000000, 0.0003596100000000 ] - [ -0.0012754600000000, -0.0002426500000000, 0.0009800800000000 ] - [ -0.0002953100000000, 0.0004255700000000, 0.0013362000000000 ] - [ 0.0020898900000000, 0.0016858400000000, -0.0037913400000000 ] - [ -0.0008654200000000, -0.0004319200000000, 0.0010518200000000 ] - [ 0.0001213200000000, 0.0002710500000000, -0.0001921100000000 ] - [ 0.0000209500000000, 0.0002617400000000, 0.0001147700000000 ] - [ 0.0000378500000000, 0.0000023500000000, 0.0002893400000000 ] - [ 0.0012401400000000, 0.0007794200000000, -0.0021190100000000 ] - [ -0.0003118400000000, -0.0003623000000000, -0.0008763800000000 ] - [ -0.0000060700000000, -0.0001017900000000, -0.0013058600000000 ] - [ -0.0001061800000000, -0.0000680200000000, -0.0000745900000000 ] - [ 0.0013468800000000, 0.0011782200000000, -0.0010862400000000 ] - [ 0.0001769200000000, 0.0000419600000000, -0.0003139900000000 ] - [ -0.0011201400000000, -0.0002758400000000, -0.0006121400000000 ] - [ 0.0017412600000000, 0.0011487800000000, 0.0032663600000000 ] - [ -0.0000271800000000, 0.0001421800000000, 0.0000421900000000 ] - [ -0.0001445000000000, -0.0000426000000000, -0.0004962500000000 ] - [ 0.0012268900000000, -0.0005736900000000, -0.0017462200000000 ] - [ 0.0017430200000000, -0.0006415500000000, -0.0012024800000000 ] - [ 0.0008857000000000, 0.0000468900000000, 0.0007292600000000 ]- atom: 63 displacement: [ 0.0099999987502926, 0.0000000000000000, -0.0000049994145799 ] forces: - [ -0.0032285300000000, -0.0014669200000000, 0.0069017300000000 ] - [ 0.0174860100000000, -0.0075040100000000, -0.0091028900000000 ] - [ -0.0024841100000000, 0.0003724400000000, -0.0001048700000000 ] - [ 0.0136212100000000, 0.0035927800000000, -0.0077110000000000 ] - [ -0.0010042800000000, -0.0001527700000000, -0.0005207000000000 ] - [ 0.0030008100000000, 0.0005101600000000, 0.0006072700000000 ] - [ -0.0010930600000000, -0.0000818400000000, 0.0019645600000000 ] - [ 0.0005585400000000, 0.0001552200000000, 0.0012065800000000 ] - [ -0.0011672600000000, 0.0003204000000000, -0.0009800500000000 ] - [ -0.0018435500000000, -0.0000011400000000, -0.0007617100000000 ] - [ -0.0032751400000000, 0.0003493600000000, -0.0026735400000000 ] - [ -0.0017035000000000, -0.0001262400000000, -0.0000344600000000 ] - [ 0.0024496700000000, -0.0006850900000000, 0.0030185400000000 ] - [ -0.0004400500000000, 0.0003100800000000, 0.0005670500000000 ] - [ -0.0015625900000000, -0.0004693600000000, -0.0019536000000000 ] - [ -0.0001425400000000, 0.0000593800000000, -0.0014629500000000 ] - [ 0.0001436300000000, -0.0001034200000000, 0.0003950500000000 ] - [ -0.0008449700000000, 0.0003218900000000, -0.0009060500000000 ] - [ 0.0000647500000000, -0.0001731800000000, -0.0004413200000000 ] - [ -0.0004360000000000, -0.0001094500000000, 0.0002007400000000 ] - [ 0.0007617700000000, -0.0005376600000000, 0.0028445800000000 ] - [ 0.0048401000000000, 0.0047263100000000, -0.0059348700000000 ] - [ -0.0002410300000000, 0.0000598400000000, 0.0026977100000000 ] - [ -0.0005572600000000, -0.0001275300000000, 0.0008561900000000 ] - [ 0.0047864600000000, 0.0007588900000000, -0.0019557800000000 ] - [ -0.0039645400000000, 0.0001942600000000, -0.0005220400000000 ] - [ 0.0005382800000000, 0.0000590000000000, 0.0002759600000000 ] - [ -0.0012846300000000, -0.0001333200000000, 0.0037268500000000 ] - [ 0.1157135500000000, 0.0776521600000000, 0.0324744600000000 ] - [ -0.0022572200000000, -0.0001000700000000, -0.0011281400000000 ] - [ -0.0009348100000000, -0.0004946500000000, -0.0005508700000000 ] - [ -0.0017537600000000, 0.0001344700000000, -0.0001485100000000 ] - [ -0.0002066600000000, -0.0000805500000000, -0.0007740800000000 ] - [ 0.0014310700000000, 0.0005242500000000, -0.0021799800000000 ] - [ -0.0016486600000000, 0.0005510300000000, 0.0002419900000000 ] - [ -0.0026327900000000, -0.0010817500000000, -0.0012519200000000 ] - [ 0.0010811300000000, -0.0005190000000000, -0.0001772300000000 ] - [ -0.0002366600000000, 0.0008535900000000, -0.0011547900000000 ] - [ -0.0015399400000000, 0.0002149600000000, -0.0004530500000000 ] - [ -0.0042377500000000, 0.0011502600000000, 0.0016909600000000 ] - [ 0.0011905700000000, 0.0002670900000000, 0.0000963100000000 ] - [ 0.0003385400000000, -0.0005217800000000, -0.0004148200000000 ] - [ -0.0001865800000000, -0.0009959400000000, 0.0007284000000000 ] - [ 0.0006662800000000, -0.0001964000000000, -0.0009953700000000 ] - [ 0.0007734400000000, 0.0003670800000000, 0.0039134100000000 ] - [ -0.0000051700000000, -0.0000735500000000, -0.0005141600000000 ] - [ 0.0009335700000000, 0.0001661500000000, -0.0002904000000000 ] - [ 0.0002429400000000, -0.0005060500000000, 0.0006249700000000 ] - [ 0.0003844100000000, -0.0002963900000000, -0.0003336800000000 ] - [ 0.0003017800000000, -0.0001297200000000, 0.0007175100000000 ] - [ 0.0003282400000000, -0.0003435100000000, -0.0004877100000000 ] - [ 0.0001578400000000, 0.0000831000000000, 0.0004729900000000 ] - [ -0.0006047000000000, -0.0005293000000000, -0.0021426200000000 ] - [ -0.0049737000000000, -0.0020719800000000, 0.0006065000000000 ] - [ 0.0011968900000000, -0.0001017300000000, -0.0002281200000000 ] - [ -0.0001488600000000, 0.0000106300000000, -0.0009880400000000 ] - [ -0.0002180000000000, 0.0013162600000000, -0.0018115900000000 ] - [ 0.0005775700000000, 0.0000883100000000, -0.0000818700000000 ] - [ 0.0003764100000000, -0.0004220100000000, -0.0005705900000000 ] - [ 0.0015799700000000, -0.0002106000000000, -0.0024985600000000 ] - [ -0.0050988500000000, -0.0006411700000000, -0.0014727800000000 ] - [ 0.0006956000000000, -0.0001046700000000, 0.0001924400000000 ] - [ -0.1530570200000000, -0.0983704600000000, 0.0011874100000000 ] - [ 0.0187075600000000, 0.0107880700000000, -0.0138772100000000 ] - [ -0.0000117300000000, -0.0007103600000000, 0.0008964600000000 ] - [ -0.0157399800000000, 0.0030960300000000, -0.0030719500000000 ] - [ 0.0012059900000000, 0.0005935500000000, 0.0004887400000000 ] - [ 0.0015673700000000, 0.0001159200000000, -0.0006329800000000 ] - [ 0.0011161600000000, -0.0002793100000000, 0.0010084400000000 ] - [ -0.0000664500000000, 0.0002247300000000, -0.0000352700000000 ] - [ -0.0005236500000000, -0.0005305000000000, -0.0017038000000000 ] - [ 0.0000204900000000, 0.0001764300000000, 0.0001054300000000 ] - [ 0.0004143900000000, -0.0001303000000000, 0.0000408700000000 ] - [ -0.0006318500000000, 0.0000052200000000, -0.0024622000000000 ] - [ 0.0003940900000000, 0.0000355800000000, -0.0008784000000000 ] - [ -0.0045472200000000, -0.0005271700000000, -0.0027944000000000 ] - [ -0.0020473100000000, 0.0010648500000000, 0.0014576800000000 ] - [ 0.0006951400000000, 0.0001438100000000, 0.0004238900000000 ] - [ 0.0000673200000000, -0.0003362000000000, 0.0006620300000000 ] - [ 0.0007251900000000, -0.0002956500000000, -0.0000883800000000 ] - [ -0.0008089600000000, -0.0000017300000000, -0.0006348200000000 ] - [ 0.0007501200000000, 0.0004622300000000, -0.0002582100000000 ] - [ 0.0006725700000000, 0.0003834500000000, 0.0003054800000000 ] - [ 0.0008796500000000, 0.0004264000000000, -0.0008353100000000 ] - [ 0.0009818100000000, -0.0000598400000000, 0.0009892700000000 ] - [ 0.0008118900000000, -0.0002157200000000, 0.0006637000000000 ] - [ 0.0009986700000000, -0.0001570700000000, 0.0004295400000000 ] - [ -0.0003733200000000, 0.0003376000000000, 0.0025371000000000 ] - [ 0.0005080700000000, -0.0002627700000000, 0.0008221500000000 ] - [ 0.0006399100000000, -0.0000078900000000, 0.0005969500000000 ] - [ 0.0008418800000000, -0.0002769300000000, 0.0001914400000000 ] - [ 0.0020560200000000, -0.0011516600000000, 0.0034690100000000 ] - [ 0.0007674000000000, 0.0003191300000000, 0.0000251200000000 ] - [ 0.0002668500000000, 0.0001405600000000, -0.0001017000000000 ] - [ 0.0006993000000000, 0.0002097600000000, -0.0003753200000000 ] - [ 0.0005242100000000, -0.0006432000000000, 0.0001645400000000 ] - [ 0.0037950900000000, 0.0047666000000000, -0.0018672600000000 ] - [ 0.0007279200000000, 0.0003423400000000, 0.0005416700000000 ] - [ 0.0017330000000000, -0.0006706700000000, 0.0012670800000000 ] - [ 0.0000615700000000, 0.0001333800000000, -0.0002753100000000 ] - [ 0.0002342700000000, -0.0000691000000000, 0.0006162200000000 ] - [ -0.0006295000000000, 0.0002651300000000, -0.0006596800000000 ] - [ 0.0004367000000000, 0.0058752200000000, 0.0032741800000000 ] - [ 0.0004972100000000, 0.0003069500000000, -0.0001680800000000 ] - [ 0.0000958100000000, -0.0000252800000000, 0.0008279900000000 ] - [ 0.0004267900000000, 0.0001736100000000, 0.0000775600000000 ] - [ 0.0007939700000000, 0.0001147000000000, -0.0001360600000000 ] - [ 0.0066099800000000, -0.0004719900000000, -0.0003790400000000 ] - [ 0.0014554200000000, -0.0002630000000000, -0.0037933100000000 ] - [ -0.0010413800000000, 0.0005838000000000, -0.0001198700000000 ] - [ 0.0003960000000000, -0.0000723500000000, -0.0002579900000000 ] - [ 0.0016387000000000, 0.0003675300000000, 0.0010286000000000 ]- atom: 63 displacement: [ -0.0099999987502926, 0.0000000000000000, 0.0000049994145799 ] forces: - [ 0.0032336300000000, 0.0023262100000000, -0.0068871800000000 ] - [ -0.0180604800000000, 0.0072155400000000, 0.0081521400000000 ] - [ 0.0022495300000000, 0.0002262300000000, -0.0011215000000000 ] - [ -0.0141196000000000, -0.0039531300000000, 0.0085917600000000 ] - [ 0.0010061800000000, -0.0002979300000000, 0.0005186100000000 ] - [ -0.0027725100000000, 0.0000875500000000, 0.0006055900000000 ] - [ 0.0016174800000000, -0.0000610500000000, -0.0012610600000000 ] - [ -0.0003275600000000, -0.0000883400000000, -0.0016332500000000 ] - [ 0.0011692200000000, 0.0005490900000000, 0.0009850900000000 ] - [ 0.0013250400000000, -0.0001431000000000, 0.0000583800000000 ] - [ 0.0030447600000000, 0.0002506600000000, 0.0014661400000000 ] - [ 0.0014714200000000, 0.0001939100000000, 0.0004572600000000 ] - [ -0.0024673100000000, 0.0002439800000000, -0.0030271300000000 ] - [ 0.0006745200000000, 0.0002888000000000, 0.0006590100000000 ] - [ 0.0020852600000000, 0.0003291000000000, 0.0026681800000000 ] - [ 0.0003755500000000, 0.0000091000000000, 0.0010365800000000 ] - [ 0.0003494400000000, -0.0003015100000000, -0.0002975900000000 ] - [ 0.0003462600000000, -0.0007946400000000, 0.0008044700000000 ] - [ 0.0004293800000000, -0.0002279500000000, 0.0005347100000000 ] - [ -0.0000565000000000, -0.0003646700000000, -0.0002966300000000 ] - [ -0.0009369000000000, -0.0006336300000000, -0.0021034700000000 ] - [ -0.0055427000000000, -0.0046909500000000, 0.0053810800000000 ] - [ 0.0009381700000000, 0.0001427100000000, -0.0016848600000000 ] - [ 0.0011815600000000, 0.0001760700000000, -0.0002873500000000 ] - [ -0.0058509500000000, 0.0003594700000000, 0.0020090300000000 ] - [ 0.0041640000000000, -0.0013638800000000, -0.0002335800000000 ] - [ 0.0001257700000000, -0.0005322200000000, -0.0003391800000000 ] - [ 0.0023638700000000, 0.0012831600000000, -0.0037824700000000 ] - [ -0.1128717200000000, -0.0732378700000000, -0.0317648700000000 ] - [ 0.0015939100000000, -0.0003728200000000, 0.0011829000000000 ] - [ 0.0007417600000000, -0.0006837000000000, 0.0013093900000000 ] - [ 0.0011316300000000, -0.0000866700000000, -0.0004217100000000 ] - [ 0.0009009600000000, 0.0002836600000000, 0.0017933700000000 ] - [ -0.0008333900000000, -0.0004806900000000, 0.0027499300000000 ] - [ 0.0005823500000000, 0.0005956600000000, -0.0002073900000000 ] - [ 0.0028364400000000, -0.0000946000000000, 0.0005015700000000 ] - [ -0.0004178200000000, 0.0000490700000000, 0.0001222900000000 ] - [ 0.0013092600000000, 0.0002928500000000, 0.0011160100000000 ] - [ 0.0008463800000000, -0.0000112300000000, -0.0005647300000000 ] - [ 0.0035811400000000, -0.0016423600000000, -0.0016446500000000 ] - [ -0.0014963100000000, -0.0001146500000000, -0.0002505300000000 ] - [ -0.0005884700000000, -0.0002604500000000, 0.0007325200000000 ] - [ 0.0004351700000000, 0.0001985300000000, -0.0010292300000000 ] - [ -0.0002705700000000, -0.0002424400000000, 0.0013126200000000 ] - [ -0.0011598900000000, -0.0008071700000000, -0.0042071400000000 ] - [ 0.0003144000000000, 0.0002278400000000, 0.0006671800000000 ] - [ -0.0012449700000000, -0.0000180200000000, 0.0001318000000000 ] - [ -0.0004910000000000, -0.0002819900000000, -0.0003148700000000 ] - [ -0.0001362700000000, -0.0005068300000000, 0.0000395600000000 ] - [ 0.0001007300000000, -0.0003070100000000, -0.0004034100000000 ] - [ -0.0007400000000000, -0.0000864000000000, 0.0001690000000000 ] - [ 0.0001508700000000, 0.0000687200000000, -0.0003237200000000 ] - [ 0.0011124700000000, 0.0011014800000000, 0.0020682900000000 ] - [ 0.0054426900000000, 0.0024832700000000, -0.0018165300000000 ] - [ -0.0011827400000000, 0.0005743700000000, 0.0012133900000000 ] - [ 0.0006438800000000, -0.0001537800000000, 0.0013165300000000 ] - [ 0.0001057600000000, -0.0013237100000000, 0.0012744400000000 ] - [ -0.0010158600000000, 0.0003113300000000, 0.0012875100000000 ] - [ 0.0000089100000000, -0.0004533200000000, 0.0005886500000000 ] - [ -0.0007739800000000, 0.0004540500000000, 0.0022083500000000 ] - [ 0.0056361000000000, 0.0001816600000000, 0.0016324400000000 ] - [ -0.0010759700000000, 0.0003374900000000, 0.0003495600000000 ] - [ 0.1499190500000000, 0.0946744600000000, -0.0027326300000000 ] - [ -0.0191531900000000, -0.0102822000000000, 0.0138928100000000 ] - [ 0.0009200200000000, 0.0006979600000000, -0.0008700100000000 ] - [ 0.0152321000000000, -0.0039407500000000, 0.0029808600000000 ] - [ -0.0011787000000000, -0.0003097800000000, -0.0003294800000000 ] - [ -0.0020845800000000, 0.0004589000000000, 0.0007215300000000 ] - [ -0.0014642200000000, 0.0001492000000000, -0.0003023200000000 ] - [ 0.0004708800000000, 0.0002285600000000, -0.0003845800000000 ] - [ -0.0000150600000000, 0.0000670300000000, 0.0014819200000000 ] - [ -0.0000482100000000, 0.0001079200000000, -0.0002627800000000 ] - [ -0.0013181800000000, 0.0001199400000000, -0.0000637500000000 ] - [ 0.0005925500000000, 0.0004823600000000, 0.0015212600000000 ] - [ -0.0005132500000000, 0.0001484900000000, 0.0008400900000000 ] - [ 0.0040806000000000, 0.0003932900000000, 0.0024863900000000 ] - [ 0.0024686700000000, -0.0008357500000000, -0.0019794300000000 ] - [ -0.0010991500000000, 0.0003114400000000, -0.0000010700000000 ] - [ -0.0007862000000000, 0.0001547300000000, -0.0004959800000000 ] - [ -0.0000089300000000, 0.0001157400000000, -0.0000745500000000 ] - [ 0.0011552500000000, -0.0001262900000000, -0.0000658200000000 ] - [ -0.0006779600000000, -0.0004690200000000, 0.0007856900000000 ] - [ -0.0001543200000000, 0.0001942800000000, -0.0003933300000000 ] - [ -0.0004435000000000, -0.0000273200000000, -0.0003696500000000 ] - [ -0.0009670200000000, 0.0005310700000000, -0.0000092000000000 ] - [ -0.0003194700000000, 0.0000751200000000, -0.0003397400000000 ] - [ -0.0011015900000000, 0.0001434100000000, -0.0009643000000000 ] - [ -0.0000561800000000, 0.0000603800000000, -0.0013427900000000 ] - [ -0.0001198400000000, -0.0006134800000000, -0.0008060500000000 ] - [ 0.0001667500000000, 0.0002553400000000, -0.0008885400000000 ] - [ -0.0003034300000000, -0.0001873400000000, 0.0000373700000000 ] - [ -0.0024560500000000, 0.0014005300000000, -0.0029544000000000 ] - [ -0.0006496000000000, -0.0001354200000000, 0.0000147900000000 ] - [ -0.0010746200000000, 0.0001066800000000, 0.0003898500000000 ] - [ 0.0002027900000000, -0.0002207600000000, 0.0003990900000000 ] - [ -0.0009111300000000, -0.0002321700000000, -0.0001814500000000 ] - [ -0.0037830400000000, -0.0044917100000000, 0.0020290800000000 ] - [ -0.0012505200000000, 0.0002357300000000, -0.0004579900000000 ] - [ -0.0020850500000000, 0.0005455700000000, -0.0005687800000000 ] - [ 0.0003424600000000, 0.0003212600000000, -0.0001485900000000 ] - [ -0.0007749000000000, -0.0003962400000000, -0.0008440900000000 ] - [ 0.0006028400000000, 0.0000187400000000, 0.0005022400000000 ] - [ -0.0013694500000000, -0.0059389600000000, -0.0033268200000000 ] - [ -0.0005158700000000, 0.0001636600000000, -0.0008174300000000 ] - [ -0.0002131700000000, 0.0002103800000000, -0.0008697600000000 ] - [ -0.0009210900000000, -0.0003151700000000, -0.0004011800000000 ] - [ -0.0004156900000000, 0.0001182200000000, -0.0004065900000000 ] - [ -0.0071011400000000, 0.0009287800000000, 0.0008072300000000 ] - [ -0.0021825500000000, 0.0000848900000000, 0.0039741000000000 ] - [ 0.0017633400000000, -0.0007635300000000, -0.0000535800000000 ] - [ -0.0000503600000000, -0.0000578800000000, -0.0004491500000000 ] - [ -0.0015425100000000, -0.0003831300000000, -0.0004997300000000 ]- atom: 63 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0013211900000000, -0.0017842400000000, 0.0043034600000000 ] - [ -0.0013760500000000, 0.0070487300000000, 0.0119104200000000 ] - [ -0.0009798400000000, 0.0003239600000000, -0.0002433100000000 ] - [ 0.0117231500000000, 0.0086933300000000, -0.0119612000000000 ] - [ -0.0004704800000000, -0.0002105300000000, -0.0002363700000000 ] - [ -0.0000017800000000, 0.0001516800000000, 0.0007132300000000 ] - [ 0.0001255200000000, 0.0000060200000000, 0.0010835600000000 ] - [ 0.0006064100000000, 0.0001009500000000, 0.0002569400000000 ] - [ -0.0002430800000000, 0.0003940300000000, -0.0003803400000000 ] - [ -0.0006803800000000, -0.0000618700000000, -0.0005307100000000 ] - [ -0.0011950600000000, 0.0002978200000000, -0.0021228100000000 ] - [ -0.0007107400000000, -0.0000145400000000, 0.0001017400000000 ] - [ 0.0014501800000000, -0.0005881500000000, 0.0007290800000000 ] - [ 0.0000512700000000, 0.0003185100000000, 0.0005574800000000 ] - [ 0.0004063200000000, 0.0002308100000000, 0.0002425200000000 ] - [ -0.0002609600000000, 0.0000743500000000, -0.0005176500000000 ] - [ 0.0002370600000000, -0.0001341900000000, 0.0000919300000000 ] - [ -0.0000926100000000, -0.0005240900000000, -0.0002183600000000 ] - [ 0.0001423400000000, -0.0001325300000000, -0.0001252400000000 ] - [ -0.0003033800000000, -0.0002038200000000, -0.0000333500000000 ] - [ 0.0013346800000000, 0.0006812800000000, 0.0000613800000000 ] - [ 0.0037233900000000, -0.0040774300000000, 0.0009753500000000 ] - [ 0.0003168700000000, 0.0000936300000000, 0.0012730800000000 ] - [ 0.0001719900000000, -0.0000286000000000, 0.0005066200000000 ] - [ 0.0011293600000000, 0.0016168800000000, -0.0000821900000000 ] - [ -0.0006341900000000, 0.0006799800000000, -0.0001181900000000 ] - [ 0.0000508700000000, -0.0002157900000000, -0.0002041900000000 ] - [ -0.0002343700000000, 0.0001446200000000, 0.0016293100000000 ] - [ 0.0782398900000000, 0.0815170300000000, 0.0312372300000000 ] - [ -0.0010747800000000, -0.0003437600000000, -0.0002856100000000 ] - [ -0.0002254900000000, -0.0005924700000000, 0.0000980900000000 ] - [ -0.0007220800000000, 0.0000570400000000, -0.0002245100000000 ] - [ 0.0001794000000000, 0.0000278300000000, 0.0002462800000000 ] - [ -0.0010014600000000, -0.0005425000000000, -0.0003479100000000 ] - [ -0.0009607200000000, 0.0005316800000000, -0.0000458500000000 ] - [ -0.0006627100000000, -0.0007061500000000, -0.0009111500000000 ] - [ 0.0006836900000000, -0.0004348100000000, -0.0001659800000000 ] - [ 0.0002150000000000, 0.0006508900000000, -0.0003632800000000 ] - [ -0.0007238800000000, 0.0001436500000000, -0.0006005200000000 ] - [ -0.0016419000000000, 0.0002101500000000, -0.0006073700000000 ] - [ 0.0006862800000000, 0.0004974200000000, 0.0000858200000000 ] - [ 0.0000249400000000, -0.0004322200000000, 0.0000184700000000 ] - [ 0.0000332300000000, -0.0005649100000000, 0.0002617400000000 ] - [ 0.0002922200000000, -0.0002133300000000, -0.0001871300000000 ] - [ -0.0015318300000000, 0.0013907700000000, 0.0000397200000000 ] - [ 0.0001196700000000, 0.0000494400000000, 0.0002033800000000 ] - [ 0.0001591000000000, 0.0001294100000000, -0.0000099600000000 ] - [ -0.0001654100000000, -0.0004241400000000, 0.0001805700000000 ] - [ 0.0002300900000000, -0.0003731100000000, -0.0001596700000000 ] - [ 0.0002719200000000, -0.0001834500000000, 0.0003142700000000 ] - [ -0.0000413900000000, -0.0002627500000000, -0.0001922600000000 ] - [ 0.0001407500000000, 0.0000814600000000, 0.0002112100000000 ] - [ -0.0003073900000000, -0.0009329400000000, -0.0008598000000000 ] - [ 0.0002501700000000, 0.0015225600000000, -0.0012316400000000 ] - [ 0.0000748900000000, 0.0002205400000000, 0.0001342900000000 ] - [ -0.0000411600000000, 0.0000570400000000, -0.0003014200000000 ] - [ -0.0007805200000000, 0.0006382900000000, -0.0010366700000000 ] - [ -0.0000236600000000, 0.0002067300000000, 0.0003485600000000 ] - [ 0.0001345700000000, -0.0004713500000000, -0.0002162400000000 ] - [ 0.0007133100000000, -0.0000472400000000, -0.0010093900000000 ] - [ -0.0004013000000000, -0.0036717200000000, 0.0010145300000000 ] - [ 0.0000414800000000, 0.0000147200000000, 0.0001649900000000 ] - [ -0.0983170500000000, -0.1414440600000000, -0.0271052400000000 ] - [ 0.0090223500000000, -0.0022248900000000, -0.0094916200000000 ] - [ 0.0007783300000000, -0.0001509500000000, 0.0003650300000000 ] - [ -0.0023024200000000, 0.0392082600000000, -0.0034640000000000 ] - [ 0.0004931500000000, 0.0003317800000000, 0.0002126900000000 ] - [ 0.0005869400000000, -0.0000274000000000, -0.0003271100000000 ] - [ 0.0000831000000000, -0.0001528000000000, 0.0004481000000000 ] - [ 0.0003412400000000, 0.0002315300000000, -0.0001181000000000 ] - [ -0.0004826500000000, -0.0003597700000000, -0.0008161700000000 ] - [ 0.0002013800000000, 0.0000734200000000, 0.0000331900000000 ] - [ -0.0001842100000000, -0.0000620700000000, -0.0000050900000000 ] - [ -0.0022148900000000, 0.0021471000000000, 0.0031630300000000 ] - [ -0.0000035800000000, 0.0001168700000000, -0.0003343200000000 ] - [ -0.0027153100000000, -0.0000889700000000, -0.0018847700000000 ] - [ 0.0016029900000000, -0.0008245500000000, 0.0015159700000000 ] - [ 0.0001670400000000, 0.0002257000000000, 0.0002576400000000 ] - [ -0.0001639300000000, -0.0001587600000000, 0.0002716100000000 ] - [ 0.0005521600000000, -0.0001099500000000, -0.0000090300000000 ] - [ 0.0000683800000000, 0.0000206300000000, -0.0001682900000000 ] - [ -0.0027019200000000, 0.0006439700000000, -0.0010005000000000 ] - [ 0.0003399700000000, 0.0003301100000000, 0.0000902400000000 ] - [ 0.0003935100000000, 0.0002690800000000, -0.0006592600000000 ] - [ 0.0002188300000000, 0.0001227100000000, 0.0007546900000000 ] - [ 0.0004990600000000, -0.0001498000000000, 0.0003354400000000 ] - [ 0.0000862500000000, -0.0000580800000000, -0.0000867700000000 ] - [ -0.0000346300000000, 0.0000127600000000, 0.0006499800000000 ] - [ 0.0003865500000000, -0.0003989500000000, 0.0001376500000000 ] - [ 0.0004055900000000, 0.0001189000000000, 0.0000108800000000 ] - [ 0.0005070000000000, -0.0002663100000000, 0.0002028200000000 ] - [ -0.0012772200000000, 0.0019488000000000, -0.0000777300000000 ] - [ 0.0002871000000000, 0.0001709000000000, 0.0000502400000000 ] - [ -0.0002374500000000, 0.0001283800000000, 0.0001465800000000 ] - [ 0.0004467700000000, 0.0000620800000000, -0.0001372600000000 ] - [ 0.0000388200000000, -0.0005085600000000, 0.0000706600000000 ] - [ 0.0019129300000000, 0.0049417600000000, -0.0000475700000000 ] - [ -0.0001281600000000, 0.0002610100000000, 0.0003539400000000 ] - [ 0.0004490200000000, -0.0003619800000000, 0.0012152900000000 ] - [ 0.0000848900000000, 0.0001746800000000, -0.0001554500000000 ] - [ -0.0000613100000000, -0.0001837000000000, 0.0000747800000000 ] - [ -0.0003609300000000, 0.0002492300000000, -0.0003176700000000 ] - [ 0.0027812400000000, 0.0066868800000000, 0.0033849900000000 ] - [ 0.0000894100000000, 0.0002416400000000, -0.0003645300000000 ] - [ 0.0000573300000000, 0.0000603300000000, 0.0000513800000000 ] - [ 0.0000380600000000, 0.0000348300000000, -0.0000333600000000 ] - [ 0.0003116600000000, 0.0000970500000000, -0.0002477000000000 ] - [ 0.0014594900000000, -0.0011714300000000, 0.0009297500000000 ] - [ 0.0009773300000000, -0.0010738700000000, -0.0019917100000000 ] - [ -0.0002961700000000, 0.0001577000000000, 0.0004130300000000 ] - [ 0.0001770100000000, -0.0000472900000000, -0.0003056400000000 ] - [ 0.0004867400000000, 0.0001254500000000, 0.0005442400000000 ]- atom: 63 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0013255000000000, 0.0026614100000000, -0.0043285500000000 ] - [ 0.0010349900000000, -0.0074221400000000, -0.0131153100000000 ] - [ 0.0007459000000000, 0.0002743500000000, -0.0009850700000000 ] - [ -0.0124176300000000, -0.0089525100000000, 0.0128370400000000 ] - [ 0.0004744500000000, -0.0002431500000000, 0.0002375000000000 ] - [ 0.0002448200000000, 0.0004483200000000, 0.0005111100000000 ] - [ 0.0003929400000000, -0.0001506400000000, -0.0003813800000000 ] - [ -0.0003790200000000, -0.0000330200000000, -0.0006850700000000 ] - [ 0.0002441200000000, 0.0004770700000000, 0.0003829400000000 ] - [ 0.0001595300000000, -0.0000821800000000, -0.0001727500000000 ] - [ 0.0009644900000000, 0.0002946100000000, 0.0009021100000000 ] - [ 0.0004795600000000, 0.0000831500000000, 0.0003261700000000 ] - [ -0.0014670300000000, 0.0001420200000000, -0.0007303600000000 ] - [ 0.0001835000000000, 0.0002799100000000, 0.0006692400000000 ] - [ 0.0001168700000000, -0.0003752300000000, 0.0004649400000000 ] - [ 0.0004992300000000, -0.0000059600000000, 0.0000912900000000 ] - [ 0.0002553100000000, -0.0002712500000000, 0.0000083000000000 ] - [ -0.0004025000000000, 0.0000479000000000, 0.0001177200000000 ] - [ 0.0003463200000000, -0.0002731400000000, 0.0002227000000000 ] - [ -0.0001879300000000, -0.0002719600000000, -0.0000643000000000 ] - [ -0.0015376800000000, -0.0018595700000000, 0.0007057700000000 ] - [ -0.0043707300000000, 0.0041810200000000, -0.0015500700000000 ] - [ 0.0003779600000000, 0.0001101700000000, -0.0002583600000000 ] - [ 0.0004507400000000, 0.0000774300000000, 0.0000635300000000 ] - [ -0.0022092000000000, -0.0004979300000000, 0.0001289400000000 ] - [ 0.0008209100000000, -0.0018639700000000, -0.0006467900000000 ] - [ 0.0006170000000000, -0.0002552200000000, 0.0001512900000000 ] - [ 0.0013133600000000, 0.0010076800000000, -0.0016793800000000 ] - [ -0.0751259000000000, -0.0785189100000000, -0.0308535400000000 ] - [ 0.0004143700000000, -0.0001268600000000, 0.0003397600000000 ] - [ 0.0000325300000000, -0.0005848300000000, 0.0006612400000000 ] - [ 0.0000984300000000, -0.0000085000000000, -0.0003464300000000 ] - [ 0.0005186100000000, 0.0001763000000000, 0.0007731300000000 ] - [ 0.0016287700000000, 0.0005931700000000, 0.0009217300000000 ] - [ -0.0001116000000000, 0.0006164100000000, 0.0000837900000000 ] - [ 0.0008604800000000, -0.0004702200000000, 0.0001565400000000 ] - [ -0.0000211600000000, -0.0000339100000000, 0.0001141700000000 ] - [ 0.0008636000000000, 0.0004956400000000, 0.0003272600000000 ] - [ 0.0000282100000000, 0.0000602300000000, -0.0004164300000000 ] - [ 0.0009819400000000, -0.0006794700000000, 0.0006679700000000 ] - [ -0.0009970600000000, -0.0003463900000000, -0.0002347900000000 ] - [ -0.0002785200000000, -0.0003547600000000, 0.0002919700000000 ] - [ 0.0002180500000000, -0.0002249600000000, -0.0005700800000000 ] - [ 0.0001064700000000, -0.0002245500000000, 0.0004982100000000 ] - [ 0.0011388800000000, -0.0018340400000000, -0.0003479700000000 ] - [ 0.0001906800000000, 0.0001036700000000, -0.0000590400000000 ] - [ -0.0004630300000000, 0.0000180200000000, -0.0001447800000000 ] - [ -0.0000891200000000, -0.0003675200000000, 0.0001232500000000 ] - [ 0.0000243200000000, -0.0004240300000000, -0.0001403200000000 ] - [ 0.0001320900000000, -0.0002496900000000, 0.0000008400000000 ] - [ -0.0003642700000000, -0.0001688900000000, -0.0001240300000000 ] - [ 0.0001638300000000, 0.0000655600000000, -0.0000598900000000 ] - [ 0.0008345200000000, 0.0015240500000000, 0.0007634200000000 ] - [ 0.0001906200000000, -0.0011290100000000, 0.0000258900000000 ] - [ -0.0000550300000000, 0.0002502100000000, 0.0008534900000000 ] - [ 0.0005370900000000, -0.0001995700000000, 0.0006273200000000 ] - [ 0.0006831900000000, -0.0006528700000000, 0.0005053400000000 ] - [ -0.0004136500000000, 0.0001924500000000, 0.0008575500000000 ] - [ 0.0002519000000000, -0.0004038500000000, 0.0002327300000000 ] - [ 0.0000929300000000, 0.0002952200000000, 0.0007239800000000 ] - [ 0.0009436500000000, 0.0032085500000000, -0.0008433800000000 ] - [ -0.0004206400000000, 0.0002191800000000, 0.0003782600000000 ] - [ 0.0947392700000000, 0.1391440400000000, 0.0258583400000000 ] - [ -0.0098253400000000, 0.0023903200000000, 0.0097761000000000 ] - [ 0.0001221100000000, 0.0001388400000000, -0.0003437800000000 ] - [ 0.0021121300000000, -0.0397358300000000, 0.0035044100000000 ] - [ -0.0004670500000000, -0.0000482400000000, -0.0000537000000000 ] - [ -0.0011063300000000, 0.0006069700000000, 0.0004179100000000 ] - [ -0.0004289100000000, 0.0000233300000000, 0.0002603700000000 ] - [ 0.0000607500000000, 0.0002228600000000, -0.0003063600000000 ] - [ -0.0000550800000000, -0.0001060300000000, 0.0005910300000000 ] - [ -0.0002321200000000, 0.0002121800000000, -0.0001932400000000 ] - [ -0.0007191900000000, 0.0000513000000000, -0.0000168000000000 ] - [ 0.0022076400000000, -0.0016990500000000, -0.0041674600000000 ] - [ -0.0001157700000000, 0.0000679400000000, 0.0002938500000000 ] - [ 0.0022443100000000, -0.0000487300000000, 0.0015780100000000 ] - [ -0.0012300300000000, 0.0010710900000000, -0.0020517600000000 ] - [ -0.0005720800000000, 0.0002292400000000, 0.0001659000000000 ] - [ -0.0005550900000000, -0.0000235400000000, -0.0001054500000000 ] - [ 0.0001640100000000, -0.0000721800000000, -0.0001584700000000 ] - [ 0.0002756900000000, -0.0001514500000000, -0.0005411100000000 ] - [ 0.0028285600000000, -0.0006632800000000, 0.0015418400000000 ] - [ 0.0001788200000000, 0.0002472600000000, -0.0001795100000000 ] - [ 0.0000439600000000, 0.0001305700000000, -0.0005464900000000 ] - [ -0.0002030900000000, 0.0003495700000000, 0.0002292200000000 ] - [ -0.0000093400000000, 0.0000110700000000, -0.0000137500000000 ] - [ -0.0001905600000000, 0.0000453000000000, -0.0004479700000000 ] - [ -0.0004053000000000, 0.0003874300000000, 0.0005546800000000 ] - [ -0.0000019200000000, -0.0004769400000000, -0.0001223400000000 ] - [ 0.0004005400000000, 0.0001279400000000, -0.0003000800000000 ] - [ 0.0000319000000000, -0.0002000200000000, 0.0000274200000000 ] - [ 0.0008958900000000, -0.0017215400000000, 0.0006131900000000 ] - [ -0.0001676500000000, 0.0000138300000000, -0.0000091200000000 ] - [ -0.0005694000000000, 0.0001184500000000, 0.0001410800000000 ] - [ 0.0004569700000000, -0.0000732000000000, 0.0001599500000000 ] - [ -0.0004246500000000, -0.0003666700000000, -0.0000867200000000 ] - [ -0.0018779600000000, -0.0046661400000000, 0.0002021200000000 ] - [ -0.0003920200000000, 0.0003169000000000, -0.0002669300000000 ] - [ -0.0007998500000000, 0.0002319100000000, -0.0005100000000000 ] - [ 0.0003202100000000, 0.0002805200000000, -0.0002701800000000 ] - [ -0.0004806600000000, -0.0002834600000000, -0.0003064000000000 ] - [ 0.0003356300000000, 0.0000341000000000, 0.0001593300000000 ] - [ -0.0037492600000000, -0.0067718200000000, -0.0034407200000000 ] - [ -0.0001069800000000, 0.0002298000000000, -0.0006219600000000 ] - [ -0.0001783200000000, 0.0001255700000000, -0.0000933700000000 ] - [ -0.0005312300000000, -0.0001746900000000, -0.0002904100000000 ] - [ 0.0000681500000000, 0.0001367400000000, -0.0002948600000000 ] - [ -0.0018530900000000, 0.0016399400000000, -0.0005209100000000 ] - [ -0.0017125400000000, 0.0009155100000000, 0.0021826900000000 ] - [ 0.0010200300000000, -0.0003387700000000, -0.0005916200000000 ] - [ 0.0001688700000000, -0.0000829400000000, -0.0004034300000000 ] - [ -0.0003855400000000, -0.0001390100000000, -0.0000129000000000 ]- atom: 63 displacement: [ -0.0057565208649526, 0.0000000000000000, 0.0081769473235044 ] forces: - [ 0.0044742300000000, 0.0013768400000000, -0.0047028700000000 ] - [ -0.0147120000000000, 0.0099615000000000, 0.0196337100000000 ] - [ 0.0017724800000000, 0.0003626500000000, -0.0002460800000000 ] - [ -0.0154380900000000, -0.0101118700000000, 0.0245107100000000 ] - [ 0.0000154900000000, -0.0002934800000000, -0.0002273400000000 ] - [ -0.0016409200000000, 0.0001814300000000, -0.0019449200000000 ] - [ 0.0026240000000000, 0.0000608200000000, -0.0009168800000000 ] - [ 0.0010516700000000, 0.0001199400000000, -0.0028278700000000 ] - [ 0.0001332000000000, 0.0005517700000000, 0.0005137800000000 ] - [ 0.0005540900000000, -0.0000941300000000, -0.0004129800000000 ] - [ 0.0005002800000000, 0.0006045600000000, 0.0030403600000000 ] - [ 0.0006137300000000, 0.0001401700000000, 0.0002143800000000 ] - [ 0.0011485600000000, -0.0008510500000000, -0.0040135500000000 ] - [ 0.0003631300000000, 0.0002764000000000, -0.0002169000000000 ] - [ -0.0007861600000000, 0.0000450900000000, 0.0011582700000000 ] - [ -0.0007421800000000, 0.0002136600000000, -0.0009026000000000 ] - [ 0.0005246000000000, -0.0001864000000000, -0.0004329500000000 ] - [ -0.0004194600000000, -0.0002422000000000, 0.0003545900000000 ] - [ 0.0001154100000000, -0.0001199800000000, 0.0000138000000000 ] - [ -0.0000981200000000, -0.0002703900000000, -0.0002249600000000 ] - [ 0.0016979400000000, 0.0001970900000000, -0.0034720700000000 ] - [ -0.0061785200000000, 0.0014666800000000, 0.0058883300000000 ] - [ 0.0018534500000000, 0.0001570300000000, -0.0020391800000000 ] - [ 0.0013778500000000, 0.0002204400000000, -0.0006139000000000 ] - [ -0.0061406000000000, 0.0033415200000000, -0.0021530500000000 ] - [ 0.0050177000000000, -0.0009621000000000, 0.0026395100000000 ] - [ -0.0001979200000000, -0.0006436100000000, -0.0018343100000000 ] - [ 0.0039043900000000, 0.0011644700000000, -0.0037674300000000 ] - [ -0.0350798800000000, -0.0159992800000000, 0.0179948700000000 ] - [ 0.0002473300000000, -0.0006671600000000, 0.0012742200000000 ] - [ -0.0006133000000000, -0.0005274900000000, 0.0001832500000000 ] - [ 0.0008381000000000, -0.0001348800000000, -0.0005098100000000 ] - [ -0.0004635800000000, -0.0000644400000000, 0.0005936100000000 ] - [ -0.0037966900000000, -0.0004143400000000, -0.0000511600000000 ] - [ 0.0004606900000000, 0.0004520800000000, -0.0008184300000000 ] - [ 0.0017201500000000, -0.0002717700000000, 0.0007200500000000 ] - [ -0.0009315100000000, -0.0006227400000000, -0.0019766000000000 ] - [ -0.0002049500000000, 0.0005637500000000, 0.0002945800000000 ] - [ 0.0003651200000000, 0.0000508900000000, -0.0006678200000000 ] - [ 0.0050863400000000, -0.0008965300000000, 0.0014568900000000 ] - [ -0.0002778700000000, 0.0001239700000000, -0.0009850600000000 ] - [ -0.0007586900000000, -0.0001521500000000, 0.0006594600000000 ] - [ 0.0008818600000000, 0.0000271900000000, -0.0003194900000000 ] - [ -0.0008253400000000, -0.0003554500000000, 0.0017375300000000 ] - [ 0.0010517400000000, -0.0003116000000000, -0.0022198500000000 ] - [ -0.0000391300000000, 0.0001999900000000, 0.0013147700000000 ] - [ -0.0010539500000000, -0.0001376800000000, -0.0001963300000000 ] - [ 0.0002187100000000, -0.0004489400000000, -0.0000108400000000 ] - [ -0.0002382400000000, -0.0005029300000000, 0.0001518400000000 ] - [ 0.0005057400000000, -0.0001438200000000, 0.0000664600000000 ] - [ -0.0006127800000000, -0.0001196900000000, 0.0001707400000000 ] - [ 0.0003790000000000, 0.0000573600000000, 0.0001803200000000 ] - [ -0.0002276000000000, 0.0003453700000000, 0.0021309000000000 ] - [ 0.0053164700000000, 0.0027894300000000, -0.0018111000000000 ] - [ -0.0017433100000000, 0.0005353900000000, 0.0004564800000000 ] - [ -0.0004520700000000, 0.0005207700000000, 0.0013188600000000 ] - [ -0.0016086300000000, -0.0010820300000000, 0.0007050500000000 ] - [ -0.0011400200000000, 0.0004614800000000, 0.0012399300000000 ] - [ -0.0004695900000000, -0.0006404200000000, 0.0006697300000000 ] - [ -0.0013446300000000, 0.0003793400000000, 0.0024032200000000 ] - [ 0.0067183800000000, -0.0003743700000000, 0.0139109000000000 ] - [ -0.0011017100000000, 0.0001692400000000, 0.0002240700000000 ] - [ 0.0889723600000000, 0.0349351500000000, -0.0774946300000000 ] - [ -0.0277566600000000, -0.0159039000000000, 0.0050316100000000 ] - [ 0.0016705800000000, -0.0002630100000000, 0.0007307200000000 ] - [ 0.0057815900000000, -0.0013989900000000, -0.0075526900000000 ] - [ -0.0004268500000000, -0.0000178900000000, -0.0001550400000000 ] - [ -0.0023993200000000, 0.0006663500000000, 0.0000023000000000 ] - [ -0.0014266000000000, 0.0000626400000000, -0.0005598600000000 ] - [ 0.0005960600000000, 0.0000300000000000, 0.0005343400000000 ] - [ -0.0009110800000000, -0.0001216900000000, 0.0016375600000000 ] - [ 0.0004612900000000, 0.0000022500000000, 0.0003803900000000 ] - [ -0.0010817000000000, 0.0000956400000000, 0.0000006400000000 ] - [ -0.0020949400000000, 0.0015202900000000, 0.0056614700000000 ] - [ -0.0010213300000000, 0.0003805700000000, 0.0010375600000000 ] - [ 0.0020734400000000, -0.0005025400000000, 0.0022522500000000 ] - [ 0.0056729000000000, -0.0004844700000000, 0.0033917500000000 ] - [ -0.0005810200000000, 0.0002269100000000, -0.0000763900000000 ] - [ -0.0003214700000000, 0.0001266400000000, -0.0002142400000000 ] - [ 0.0001696100000000, 0.0002526700000000, 0.0006396000000000 ] - [ 0.0007260900000000, 0.0004349900000000, 0.0010875600000000 ] - [ -0.0052722600000000, -0.0003395500000000, -0.0016306300000000 ] - [ 0.0002562500000000, 0.0002677200000000, 0.0000233300000000 ] - [ -0.0003099800000000, 0.0000866000000000, -0.0001821600000000 ] - [ -0.0001243800000000, 0.0002599400000000, -0.0001606400000000 ] - [ 0.0005782600000000, -0.0001354400000000, 0.0003150400000000 ] - [ 0.0002655200000000, -0.0000196700000000, -0.0003113000000000 ] - [ 0.0012553300000000, -0.0000503600000000, -0.0010801500000000 ] - [ 0.0008991700000000, -0.0004149100000000, 0.0001422100000000 ] - [ 0.0008103500000000, 0.0001349800000000, -0.0006411100000000 ] - [ -0.0000071700000000, -0.0002541600000000, 0.0003146900000000 ] - [ 0.0005856100000000, -0.0003506200000000, -0.0010856600000000 ] - [ -0.0003466100000000, -0.0000154500000000, 0.0000917100000000 ] - [ -0.0007498200000000, 0.0001351900000000, 0.0003411200000000 ] - [ 0.0001038300000000, -0.0003902400000000, 0.0007065500000000 ] - [ -0.0005960400000000, -0.0003338200000000, -0.0000520700000000 ] - [ -0.0065284300000000, -0.0066724700000000, 0.0013279600000000 ] - [ -0.0005189700000000, 0.0003143500000000, -0.0005750100000000 ] - [ -0.0012687600000000, 0.0011956200000000, -0.0020550700000000 ] - [ 0.0002933500000000, 0.0000982200000000, 0.0007213000000000 ] - [ 0.0000111300000000, -0.0002741800000000, -0.0000624600000000 ] - [ 0.0004890200000000, 0.0001958900000000, 0.0010773500000000 ] - [ -0.0000449700000000, -0.0036744600000000, -0.0057403900000000 ] - [ -0.0000733100000000, 0.0002481000000000, -0.0004350300000000 ] - [ 0.0005450500000000, 0.0001009800000000, -0.0000450700000000 ] - [ -0.0005606000000000, -0.0001836700000000, -0.0001014000000000 ] - [ -0.0002367100000000, 0.0000401200000000, -0.0001097500000000 ] - [ -0.0060062200000000, 0.0009176800000000, -0.0016469400000000 ] - [ -0.0036639100000000, -0.0000349900000000, 0.0035711200000000 ] - [ 0.0002635100000000, -0.0004356700000000, 0.0032285800000000 ] - [ 0.0003499400000000, 0.0003345600000000, 0.0005855500000000 ] - [ -0.0006955400000000, -0.0002673200000000, -0.0001754700000000 ]- atom: 63 displacement: [ 0.0057565208649526, 0.0000000000000000, -0.0081769473235044 ] forces: - [ -0.0044657500000000, -0.0004925000000000, 0.0046681300000000 ] - [ 0.0145838700000000, -0.0110327000000000, -0.0215222100000000 ] - [ -0.0019979700000000, 0.0002341900000000, -0.0009931700000000 ] - [ 0.0143597900000000, 0.0092370600000000, -0.0232650200000000 ] - [ -0.0000035700000000, -0.0001596300000000, 0.0002302900000000 ] - [ 0.0018801300000000, 0.0004191300000000, 0.0031721300000000 ] - [ -0.0021046000000000, -0.0002050600000000, 0.0016098400000000 ] - [ -0.0008262500000000, -0.0000511700000000, 0.0023911000000000 ] - [ -0.0001302500000000, 0.0003199500000000, -0.0005055800000000 ] - [ -0.0010703300000000, -0.0000500300000000, -0.0002890900000000 ] - [ -0.0007311200000000, -0.0000013900000000, -0.0042345800000000 ] - [ -0.0008360100000000, -0.0000712100000000, 0.0002118800000000 ] - [ -0.0011715000000000, 0.0003984000000000, 0.0039903200000000 ] - [ -0.0001301000000000, 0.0003211500000000, 0.0014429000000000 ] - [ 0.0013041100000000, -0.0001929800000000, -0.0004493300000000 ] - [ 0.0009852000000000, -0.0001458200000000, 0.0004811100000000 ] - [ -0.0000379400000000, -0.0002188800000000, 0.0005268400000000 ] - [ -0.0000631200000000, -0.0002453000000000, -0.0004427000000000 ] - [ 0.0003726100000000, -0.0002859200000000, 0.0000877700000000 ] - [ -0.0003919300000000, -0.0002052300000000, 0.0001295300000000 ] - [ -0.0018997100000000, -0.0013851300000000, 0.0042287800000000 ] - [ 0.0054917600000000, -0.0013735700000000, -0.0064974200000000 ] - [ -0.0011584200000000, 0.0000460200000000, 0.0030470100000000 ] - [ -0.0007540800000000, -0.0001714700000000, 0.0011789500000000 ] - [ 0.0050082800000000, -0.0021859800000000, 0.0022416100000000 ] - [ -0.0048162200000000, -0.0002126700000000, -0.0034237400000000 ] - [ 0.0008696400000000, 0.0001723200000000, 0.0017812200000000 ] - [ -0.0028182200000000, -0.0000137300000000, 0.0037033700000000 ] - [ 0.0340791000000000, 0.0162019800000000, -0.0188699300000000 ] - [ -0.0008950700000000, 0.0001987500000000, -0.0012192700000000 ] - [ 0.0004189300000000, -0.0006491600000000, 0.0005796100000000 ] - [ -0.0014568800000000, 0.0001821500000000, -0.0000640000000000 ] - [ 0.0011629400000000, 0.0002696700000000, 0.0004308000000000 ] - [ 0.0044343900000000, 0.0004636700000000, 0.0006229300000000 ] - [ -0.0015241200000000, 0.0006961600000000, 0.0008556900000000 ] - [ -0.0015124300000000, -0.0009033500000000, -0.0014646500000000 ] - [ 0.0015821600000000, 0.0001520700000000, 0.0019202700000000 ] - [ 0.0012896900000000, 0.0005804400000000, -0.0003254100000000 ] - [ -0.0010549100000000, 0.0001526500000000, -0.0003480700000000 ] - [ -0.0057152300000000, 0.0004187800000000, -0.0013832700000000 ] - [ -0.0000435400000000, 0.0000209700000000, 0.0008404400000000 ] - [ 0.0005021800000000, -0.0006356700000000, -0.0003525300000000 ] - [ -0.0006271900000000, -0.0008130400000000, 0.0000046900000000 ] - [ 0.0012232200000000, -0.0000803200000000, -0.0014192000000000 ] - [ -0.0014758300000000, -0.0001293100000000, 0.0018514500000000 ] - [ 0.0003437700000000, -0.0000522000000000, -0.0011691400000000 ] - [ 0.0007417100000000, 0.0002829000000000, 0.0000441700000000 ] - [ -0.0004742600000000, -0.0003382300000000, 0.0003128800000000 ] - [ 0.0004890100000000, -0.0002899000000000, -0.0004525900000000 ] - [ -0.0001022800000000, -0.0002901800000000, 0.0002460700000000 ] - [ 0.0002075300000000, -0.0003131200000000, -0.0004838900000000 ] - [ -0.0000727300000000, 0.0000891000000000, -0.0000323800000000 ] - [ 0.0007505900000000, 0.0002440500000000, -0.0022056800000000 ] - [ -0.0049011500000000, -0.0024104400000000, 0.0006212700000000 ] - [ 0.0017626900000000, -0.0000639800000000, 0.0005372700000000 ] - [ 0.0009490000000000, -0.0006619700000000, -0.0009868400000000 ] - [ 0.0015142600000000, 0.0010679100000000, -0.0012310300000000 ] - [ 0.0006996100000000, -0.0000625300000000, -0.0000283600000000 ] - [ 0.0008580000000000, -0.0002337900000000, -0.0006494500000000 ] - [ 0.0021503800000000, -0.0001336300000000, -0.0026828100000000 ] - [ -0.0060874800000000, -0.0000913100000000, -0.0134922900000000 ] - [ 0.0007203400000000, 0.0000660200000000, 0.0003218600000000 ] - [ -0.0885639400000000, -0.0328671400000000, 0.0776458700000000 ] - [ 0.0274284500000000, 0.0164174700000000, -0.0048342700000000 ] - [ -0.0007712600000000, 0.0002545600000000, -0.0007131300000000 ] - [ -0.0060980600000000, 0.0003677600000000, 0.0076074200000000 ] - [ 0.0004449900000000, 0.0002996400000000, 0.0003133800000000 ] - [ 0.0018822900000000, -0.0000920000000000, 0.0000944000000000 ] - [ 0.0010771400000000, -0.0001904700000000, 0.0012705800000000 ] - [ -0.0001954900000000, 0.0004225100000000, -0.0009591100000000 ] - [ 0.0003754000000000, -0.0003425800000000, -0.0018569200000000 ] - [ -0.0004938100000000, 0.0002857700000000, -0.0005417100000000 ] - [ 0.0001745900000000, -0.0001038200000000, -0.0000205800000000 ] - [ 0.0020987200000000, -0.0010594400000000, -0.0066826700000000 ] - [ 0.0009036100000000, -0.0001970600000000, -0.0010736800000000 ] - [ -0.0025282200000000, 0.0003675900000000, -0.0025594800000000 ] - [ -0.0053160600000000, 0.0007245700000000, -0.0039505300000000 ] - [ 0.0001704900000000, 0.0002279900000000, 0.0005015000000000 ] - [ -0.0004009500000000, -0.0003085400000000, 0.0003780400000000 ] - [ 0.0005431600000000, -0.0004342400000000, -0.0008053000000000 ] - [ -0.0003818200000000, -0.0005635600000000, -0.0017987800000000 ] - [ 0.0054003500000000, 0.0003245500000000, 0.0021872400000000 ] - [ 0.0002621500000000, 0.0003095000000000, -0.0001137300000000 ] - [ 0.0007461900000000, 0.0003120300000000, -0.0010224600000000 ] - [ 0.0001401300000000, 0.0002105300000000, 0.0011391900000000 ] - [ -0.0000919000000000, -0.0000024000000000, 0.0000042300000000 ] - [ -0.0003683100000000, 0.0000064200000000, -0.0002246500000000 ] - [ -0.0016936100000000, 0.0004532500000000, 0.0022862300000000 ] - [ -0.0005164900000000, -0.0004608300000000, -0.0001285000000000 ] - [ -0.0000036300000000, 0.0001118700000000, 0.0003499300000000 ] - [ 0.0005409600000000, -0.0002112900000000, -0.0000852000000000 ] - [ -0.0009495000000000, 0.0005595400000000, 0.0016350400000000 ] - [ 0.0004617700000000, 0.0001983500000000, -0.0000509200000000 ] - [ -0.0000587500000000, 0.0001116900000000, -0.0000544600000000 ] - [ 0.0008012100000000, 0.0003790000000000, -0.0006814500000000 ] - [ 0.0002063700000000, -0.0005400500000000, 0.0000351000000000 ] - [ 0.0064898100000000, 0.0068758800000000, -0.0011452800000000 ] - [ -0.0000021300000000, 0.0002649000000000, 0.0006563600000000 ] - [ 0.0009144700000000, -0.0013147600000000, 0.0027424900000000 ] - [ 0.0001156100000000, 0.0003572500000000, -0.0011439000000000 ] - [ -0.0005560200000000, -0.0001937000000000, -0.0001721700000000 ] - [ -0.0005075800000000, 0.0000874100000000, -0.0012310700000000 ] - [ -0.0008566800000000, 0.0036001200000000, 0.0056766200000000 ] - [ 0.0000544200000000, 0.0002224000000000, -0.0005522400000000 ] - [ -0.0006663700000000, 0.0000843100000000, 0.0000022700000000 ] - [ 0.0000619500000000, 0.0000413200000000, -0.0002236700000000 ] - [ 0.0006167700000000, 0.0001941700000000, -0.0004317900000000 ] - [ 0.0055437500000000, -0.0004578100000000, 0.0020477600000000 ] - [ 0.0029298800000000, -0.0001459300000000, -0.0033784600000000 ] - [ 0.0004631000000000, 0.0002419100000000, -0.0033757400000000 ] - [ -0.0000023600000000, -0.0004626600000000, -0.0012926400000000 ] - [ 0.0007904900000000, 0.0002510000000000, 0.0007022900000000 ]- atom: 65 displacement: [ 0.0099999987502926, 0.0000000000000000, -0.0000049994145799 ] forces: - [ -0.0025245300000000, 0.0008602700000000, -0.0024922700000000 ] - [ -0.0010304100000000, 0.0004521600000000, -0.0042263000000000 ] - [ -0.0012291400000000, 0.0003762000000000, -0.0013792900000000 ] - [ 0.0006025100000000, 0.0001946200000000, -0.0002875400000000 ] - [ 0.0025371800000000, 0.0000611400000000, -0.0000487500000000 ] - [ 0.0332555700000000, -0.0001710000000000, 0.0012072000000000 ] - [ -0.0024020200000000, -0.0003432700000000, -0.0003687100000000 ] - [ -0.0013875700000000, 0.0001888000000000, -0.0001116400000000 ] - [ -0.0019146800000000, 0.0006907700000000, 0.0023933600000000 ] - [ -0.0015468500000000, 0.0000051400000000, 0.0002271900000000 ] - [ 0.0008852800000000, -0.0009129900000000, 0.0024071700000000 ] - [ 0.0000913100000000, -0.0001389200000000, -0.0000101900000000 ] - [ -0.0006496700000000, -0.0003398500000000, 0.0000124000000000 ] - [ -0.0016442300000000, 0.0001682400000000, 0.0007784000000000 ] - [ -0.0087790400000000, 0.0024398100000000, 0.0080363600000000 ] - [ 0.0141849900000000, -0.0022572000000000, 0.0078840400000000 ] - [ -0.0001281000000000, -0.0004876600000000, 0.0008301900000000 ] - [ -0.0004228800000000, -0.0003071100000000, -0.0005082400000000 ] - [ -0.0001447200000000, -0.0004124200000000, -0.0004051500000000 ] - [ -0.0002807900000000, -0.0002431200000000, 0.0004398900000000 ] - [ -0.0053064200000000, -0.0000373700000000, 0.0019271900000000 ] - [ 0.0065125900000000, -0.0003838900000000, -0.0008459300000000 ] - [ -0.0011946500000000, 0.0000193700000000, 0.0012739400000000 ] - [ -0.0012049100000000, -0.0000294000000000, 0.0001566100000000 ] - [ -0.0011136000000000, 0.0004313500000000, -0.0007896100000000 ] - [ -0.0016138700000000, -0.0009381900000000, -0.0022388100000000 ] - [ 0.0044435300000000, 0.0018346700000000, 0.0078119400000000 ] - [ -0.0007907400000000, 0.0003508400000000, 0.0011042300000000 ] - [ -0.0002862000000000, 0.0000661300000000, -0.0021263600000000 ] - [ -0.0009063800000000, 0.0002712600000000, -0.0015704500000000 ] - [ -0.0034188400000000, -0.0001426800000000, 0.0000732500000000 ] - [ -0.0013468100000000, 0.0000814100000000, -0.0004416300000000 ] - [ -0.0002215700000000, -0.0051204500000000, 0.0010776700000000 ] - [ 0.0283844900000000, 0.0069654200000000, -0.0023431300000000 ] - [ -0.0001007400000000, 0.0007113500000000, 0.0012216900000000 ] - [ -0.0003398000000000, -0.0007389900000000, 0.0015636300000000 ] - [ -0.0011198700000000, -0.0004234700000000, -0.0008461800000000 ] - [ 0.0009285100000000, 0.0007287500000000, -0.0029500600000000 ] - [ -0.0006742400000000, 0.0001386800000000, 0.0004594800000000 ] - [ 0.0003423200000000, -0.0005571600000000, 0.0015487800000000 ] - [ 0.0000547800000000, 0.0000466300000000, 0.0004745300000000 ] - [ 0.0001181700000000, -0.0005686200000000, -0.0003181200000000 ] - [ 0.0004786400000000, -0.0003651900000000, 0.0001519700000000 ] - [ 0.0010760600000000, -0.0000546600000000, -0.0007615900000000 ] - [ -0.0001356500000000, -0.0003091700000000, 0.0004079000000000 ] - [ 0.0011659700000000, 0.0007038600000000, -0.0020440700000000 ] - [ -0.0000542100000000, 0.0000571900000000, -0.0009124500000000 ] - [ 0.0000855200000000, -0.0002689900000000, 0.0007288600000000 ] - [ 0.0002657800000000, -0.0003238200000000, -0.0008130800000000 ] - [ 0.0007529600000000, 0.0003248500000000, 0.0016154200000000 ] - [ -0.0000974200000000, -0.0001666600000000, -0.0006679800000000 ] - [ 0.0009080500000000, 0.0000214000000000, 0.0001301600000000 ] - [ 0.0028042100000000, -0.0010252100000000, 0.0012103300000000 ] - [ -0.0033035800000000, 0.0016473700000000, 0.0043497400000000 ] - [ 0.0009724500000000, 0.0001397600000000, 0.0012293400000000 ] - [ 0.0008010300000000, -0.0002936900000000, 0.0001149600000000 ] - [ 0.0034060300000000, -0.0007970000000000, 0.0009457100000000 ] - [ 0.0005509100000000, -0.0001057700000000, 0.0005967800000000 ] - [ 0.0010731000000000, -0.0002063600000000, 0.0000775300000000 ] - [ 0.0015622300000000, 0.0001271200000000, -0.0007859900000000 ] - [ 0.0005349800000000, -0.0004575400000000, 0.0006913400000000 ] - [ 0.0007616400000000, 0.0001374000000000, 0.0008257300000000 ] - [ -0.0004113100000000, 0.0004207500000000, 0.0011826300000000 ] - [ -0.0005651100000000, 0.0003442500000000, 0.0017593400000000 ] - [ -0.0958838400000000, -0.0179469600000000, -0.0237410600000000 ] - [ -0.0006685500000000, -0.0007620500000000, 0.0007865300000000 ] - [ 0.0001215500000000, 0.0001855500000000, 0.0004154200000000 ] - [ 0.0005355600000000, 0.0000858600000000, 0.0008150600000000 ] - [ 0.0005511800000000, -0.0003583200000000, 0.0013092900000000 ] - [ -0.0026528700000000, 0.0074429600000000, -0.0073554600000000 ] - [ 0.0002380500000000, -0.0002386900000000, -0.0004220500000000 ] - [ -0.0050819300000000, 0.0024411300000000, -0.0022411200000000 ] - [ -0.0000137500000000, 0.0000232200000000, 0.0001498600000000 ] - [ 0.0045501400000000, 0.0064836400000000, 0.0014726700000000 ] - [ 0.0008091000000000, -0.0001760500000000, -0.0001786800000000 ] - [ 0.0000564600000000, 0.0000302800000000, 0.0000916500000000 ] - [ 0.0024816900000000, -0.0140805200000000, 0.0156949700000000 ] - [ 0.0000018600000000, 0.0003590900000000, 0.0007469900000000 ] - [ -0.0012661000000000, -0.0008109800000000, 0.0015360400000000 ] - [ -0.0024767300000000, -0.0017161300000000, -0.0005705500000000 ] - [ 0.0066563000000000, -0.0081845500000000, -0.0061535600000000 ] - [ 0.0020239100000000, 0.0003597000000000, 0.0017949600000000 ] - [ 0.0012756900000000, 0.0000629800000000, -0.0004148200000000 ] - [ 0.0008906900000000, 0.0003200900000000, -0.0009044900000000 ] - [ 0.0004353900000000, 0.0001604200000000, -0.0009280700000000 ] - [ 0.0001682400000000, 0.0008749000000000, 0.0015358400000000 ] - [ 0.0030314100000000, 0.0001369200000000, 0.0001745800000000 ] - [ -0.0002323900000000, 0.0112644800000000, -0.0098274200000000 ] - [ 0.0200248800000000, 0.0128001400000000, 0.0075042000000000 ] - [ 0.0023957500000000, 0.0005367300000000, -0.0031794700000000 ] - [ -0.0001808400000000, 0.0000053100000000, -0.0002353900000000 ] - [ -0.0030929500000000, -0.0002732400000000, -0.0038040100000000 ] - [ 0.0003093900000000, 0.0000878500000000, -0.0002330200000000 ] - [ 0.0002442700000000, 0.0002133500000000, -0.0008857500000000 ] - [ 0.0012892200000000, 0.0000524000000000, 0.0001191700000000 ] - [ 0.0000130000000000, -0.0004343300000000, -0.0001538700000000 ] - [ -0.0004121900000000, -0.0000579200000000, -0.0001276600000000 ] - [ 0.0001165100000000, 0.0004824200000000, -0.0015459300000000 ] - [ -0.0008448200000000, 0.0008951400000000, -0.0009469900000000 ] - [ 0.0009283700000000, 0.0003355600000000, -0.0000658800000000 ] - [ -0.0001979700000000, -0.0003309600000000, 0.0020946600000000 ] - [ 0.0009056000000000, -0.0002375300000000, 0.0001506800000000 ] - [ -0.0022674000000000, 0.0003009300000000, 0.0000940600000000 ] - [ 0.0010942100000000, 0.0006186000000000, -0.0009122500000000 ] - [ 0.0008578100000000, -0.0031606700000000, 0.0011176100000000 ] - [ -0.0008014900000000, -0.0003557300000000, -0.0004986100000000 ] - [ 0.0010854100000000, 0.0003103800000000, -0.0000638100000000 ] - [ -0.0008754600000000, -0.0000242400000000, -0.0004385700000000 ] - [ 0.0000339800000000, 0.0003685900000000, -0.0005721400000000 ] - [ 0.0007090000000000, 0.0001101900000000, 0.0002480900000000 ] - [ 0.0012606500000000, 0.0000781200000000, 0.0002107600000000 ] - [ 0.0006037600000000, -0.0003571600000000, -0.0002958100000000 ]- atom: 65 displacement: [ -0.0099999987502926, 0.0000000000000000, 0.0000049994145799 ] forces: - [ 0.0025053500000000, 0.0000141200000000, 0.0024607500000000 ] - [ 0.0005635100000000, -0.0006040100000000, 0.0035084300000000 ] - [ 0.0009894500000000, 0.0002234200000000, 0.0001495800000000 ] - [ -0.0008274600000000, -0.0001243000000000, 0.0007324000000000 ] - [ -0.0025341500000000, -0.0005148900000000, 0.0000409700000000 ] - [ -0.0309857000000000, 0.0012381400000000, 0.0002350300000000 ] - [ 0.0029071800000000, 0.0001966900000000, 0.0010672700000000 ] - [ 0.0016161500000000, -0.0001209500000000, -0.0003092000000000 ] - [ 0.0019069700000000, 0.0001760600000000, -0.0024067800000000 ] - [ 0.0010162100000000, -0.0001483100000000, -0.0009351200000000 ] - [ -0.0011523800000000, 0.0015055200000000, -0.0035794200000000 ] - [ -0.0003271000000000, 0.0002059200000000, 0.0004340900000000 ] - [ 0.0006489300000000, -0.0001122400000000, -0.0000037800000000 ] - [ 0.0018761800000000, 0.0004307400000000, 0.0004456100000000 ] - [ 0.0092397700000000, -0.0025806600000000, -0.0073823900000000 ] - [ -0.0138905700000000, 0.0024108000000000, -0.0084784800000000 ] - [ 0.0006208600000000, 0.0000811300000000, -0.0007238600000000 ] - [ -0.0000727700000000, -0.0001674000000000, 0.0004113100000000 ] - [ 0.0006434800000000, 0.0000085300000000, 0.0005059700000000 ] - [ -0.0002187200000000, -0.0002297100000000, -0.0005354600000000 ] - [ 0.0050727600000000, -0.0011459500000000, -0.0011505100000000 ] - [ -0.0070818800000000, 0.0004468800000000, 0.0003335200000000 ] - [ 0.0018805500000000, 0.0001847500000000, -0.0002500100000000 ] - [ 0.0018226000000000, 0.0000776800000000, 0.0004117500000000 ] - [ 0.0000439200000000, 0.0007171400000000, 0.0008328700000000 ] - [ 0.0018093300000000, -0.0002396900000000, 0.0014740200000000 ] - [ -0.0037059000000000, -0.0023056600000000, -0.0078404300000000 ] - [ 0.0018494300000000, 0.0007930300000000, -0.0011275800000000 ] - [ -0.0003945300000000, 0.0001337400000000, 0.0011083300000000 ] - [ 0.0002381500000000, -0.0007418100000000, 0.0016208100000000 ] - [ 0.0032274300000000, -0.0010361400000000, 0.0006779400000000 ] - [ 0.0007177000000000, -0.0000330400000000, -0.0001317700000000 ] - [ 0.0008299000000000, 0.0053270600000000, -0.0001158600000000 ] - [ -0.0276174500000000, -0.0062413700000000, 0.0026541400000000 ] - [ -0.0009678000000000, 0.0004393500000000, -0.0011780400000000 ] - [ 0.0005156100000000, -0.0004369400000000, -0.0023143400000000 ] - [ 0.0017853600000000, -0.0000485300000000, 0.0007914300000000 ] - [ 0.0001312600000000, 0.0004164100000000, 0.0029067400000000 ] - [ -0.0000258300000000, 0.0000655400000000, -0.0014737700000000 ] - [ -0.0010058100000000, 0.0000830000000000, -0.0014698500000000 ] - [ -0.0003688200000000, 0.0001093200000000, -0.0006243000000000 ] - [ -0.0003655500000000, -0.0002227700000000, 0.0006226600000000 ] - [ -0.0002216100000000, -0.0004358100000000, -0.0004543100000000 ] - [ -0.0006708000000000, -0.0003828200000000, 0.0010643800000000 ] - [ -0.0002684800000000, -0.0001257700000000, -0.0007234100000000 ] - [ -0.0008457500000000, -0.0005395300000000, 0.0021664800000000 ] - [ -0.0002519400000000, 0.0000956100000000, 0.0007501900000000 ] - [ -0.0003402900000000, -0.0005201800000000, -0.0004167600000000 ] - [ -0.0000141400000000, -0.0004720800000000, 0.0005056900000000 ] - [ -0.0003556800000000, -0.0007700200000000, -0.0013103300000000 ] - [ -0.0003045500000000, -0.0002676700000000, 0.0003476800000000 ] - [ -0.0005918000000000, 0.0001376800000000, 0.0000177600000000 ] - [ -0.0022682200000000, 0.0015872200000000, -0.0012745600000000 ] - [ 0.0036709000000000, -0.0012173500000000, -0.0055227300000000 ] - [ -0.0009529000000000, 0.0003324700000000, -0.0002389500000000 ] - [ -0.0003078400000000, 0.0001524800000000, 0.0002051600000000 ] - [ -0.0034770100000000, 0.0007759000000000, -0.0014693900000000 ] - [ -0.0009842600000000, 0.0005034900000000, 0.0006083700000000 ] - [ -0.0006839300000000, -0.0006690100000000, -0.0000617800000000 ] - [ -0.0007485100000000, 0.0001206200000000, 0.0004922600000000 ] - [ 0.0000049900000000, -0.0000090000000000, -0.0004671500000000 ] - [ -0.0011350800000000, 0.0000954600000000, -0.0002801600000000 ] - [ 0.0005215000000000, -0.0002344900000000, -0.0011454700000000 ] - [ -0.0002523400000000, -0.0000979400000000, -0.0014558700000000 ] - [ 0.0948201000000000, 0.0169297800000000, 0.0238959000000000 ] - [ 0.0002735100000000, -0.0001134100000000, -0.0008097300000000 ] - [ -0.0000909300000000, 0.0000974300000000, -0.0002546500000000 ] - [ -0.0010528900000000, 0.0004884500000000, -0.0007220400000000 ] - [ -0.0008952000000000, 0.0002253400000000, -0.0006009000000000 ] - [ 0.0030121800000000, -0.0069165200000000, 0.0068885200000000 ] - [ -0.0007774200000000, -0.0002270100000000, 0.0001884100000000 ] - [ 0.0050076800000000, -0.0021200000000000, 0.0021137600000000 ] - [ -0.0008855400000000, -0.0000331000000000, -0.0001724600000000 ] - [ -0.0045013600000000, -0.0058959200000000, -0.0024128800000000 ] - [ -0.0009242400000000, 0.0003592900000000, 0.0001368500000000 ] - [ -0.0005490500000000, -0.0001693300000000, -0.0004202300000000 ] - [ -0.0021550600000000, 0.0142110600000000, -0.0160242200000000 ] - [ -0.0004032900000000, 0.0000967200000000, -0.0003236300000000 ] - [ 0.0005476300000000, 0.0006303500000000, -0.0013644800000000 ] - [ 0.0031889000000000, 0.0015303600000000, 0.0003984200000000 ] - [ -0.0062463500000000, 0.0079442600000000, 0.0053779300000000 ] - [ -0.0019281400000000, -0.0003695500000000, -0.0012524000000000 ] - [ -0.0007545700000000, 0.0005153800000000, 0.0003310600000000 ] - [ -0.0004521600000000, 0.0000801100000000, -0.0002994800000000 ] - [ -0.0003962100000000, 0.0003012100000000, 0.0019062200000000 ] - [ 0.0003314800000000, -0.0010071100000000, -0.0012008900000000 ] - [ -0.0031388600000000, -0.0001566700000000, -0.0007086600000000 ] - [ -0.0001257600000000, -0.0109430500000000, 0.0111044900000000 ] - [ -0.0199815800000000, -0.0138706800000000, -0.0076434200000000 ] - [ -0.0015870100000000, -0.0002967600000000, 0.0029147300000000 ] - [ 0.0007221200000000, -0.0004698500000000, 0.0004623300000000 ] - [ 0.0027470700000000, 0.0005436200000000, 0.0042868100000000 ] - [ -0.0001869100000000, 0.0000976300000000, 0.0002723800000000 ] - [ -0.0010470300000000, 0.0000341200000000, 0.0011739400000000 ] - [ -0.0003848700000000, -0.0000629300000000, -0.0000950500000000 ] - [ -0.0003944900000000, -0.0004433000000000, 0.0001378600000000 ] - [ 0.0004374300000000, 0.0003398800000000, 0.0002785700000000 ] - [ -0.0006259100000000, 0.0000974100000000, 0.0016376300000000 ] - [ 0.0005049900000000, -0.0010153600000000, 0.0016337000000000 ] - [ -0.0005242100000000, 0.0001204900000000, -0.0003574200000000 ] - [ -0.0003241700000000, -0.0001499800000000, -0.0023088000000000 ] - [ -0.0009338700000000, 0.0005191900000000, -0.0003112200000000 ] - [ 0.0013543800000000, -0.0003209900000000, -0.0001335300000000 ] - [ -0.0011098400000000, -0.0001472800000000, -0.0000695500000000 ] - [ -0.0009467300000000, 0.0033662600000000, -0.0011537600000000 ] - [ 0.0003096800000000, 0.0002144000000000, 0.0001747300000000 ] - [ -0.0007031900000000, -0.0000776600000000, -0.0004759900000000 ] - [ 0.0004716200000000, 0.0004754700000000, 0.0008459800000000 ] - [ -0.0007485400000000, -0.0005448800000000, 0.0007270800000000 ] - [ 0.0000118000000000, -0.0002915600000000, -0.0004202500000000 ] - [ -0.0009136800000000, -0.0002106600000000, -0.0009160500000000 ] - [ -0.0004893200000000, 0.0003454800000000, 0.0008325500000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000314200000000, 0.0003601200000000, -0.0011749800000000 ] - [ 0.0046844700000000, -0.0016551600000000, 0.0006234300000000 ] - [ 0.0001680500000000, 0.0002612100000000, -0.0003741900000000 ] - [ 0.0003400800000000, 0.0001621800000000, 0.0019376500000000 ] - [ -0.0002237000000000, -0.0000508000000000, 0.0013716900000000 ] - [ 0.0005151000000000, 0.0054631500000000, -0.0061614900000000 ] - [ 0.0001699400000000, -0.0000722400000000, 0.0002196700000000 ] - [ -0.0000246700000000, 0.0000313500000000, 0.0000976700000000 ] - [ -0.0008946700000000, 0.0002039400000000, -0.0006096200000000 ] - [ -0.0008356000000000, 0.0000303300000000, -0.0001906200000000 ] - [ -0.0026770200000000, -0.0010795900000000, 0.0032235700000000 ] - [ -0.0001414900000000, 0.0000547600000000, 0.0011804400000000 ] - [ 0.0000195600000000, -0.0002456200000000, 0.0006854700000000 ] - [ 0.0000330400000000, 0.0003199700000000, 0.0006300100000000 ] - [ 0.0041946700000000, 0.0022717900000000, -0.0061521100000000 ] - [ 0.0021983400000000, 0.0049310700000000, -0.0036666000000000 ] - [ 0.0000154600000000, -0.0002587500000000, 0.0002130100000000 ] - [ -0.0001112100000000, -0.0002373700000000, 0.0000752400000000 ] - [ 0.0003772000000000, -0.0002536200000000, 0.0000592000000000 ] - [ -0.0004557600000000, -0.0002449000000000, 0.0002303100000000 ] - [ -0.0007926000000000, -0.0006082800000000, 0.0007014000000000 ] - [ 0.0017220500000000, 0.0018884600000000, -0.0012298300000000 ] - [ 0.0000169500000000, 0.0001134500000000, 0.0005648700000000 ] - [ 0.0001919100000000, -0.0000185200000000, 0.0003687500000000 ] - [ -0.0001129900000000, 0.0006649700000000, 0.0005422300000000 ] - [ 0.0012124100000000, -0.0003438500000000, -0.0001713400000000 ] - [ -0.0007919800000000, -0.0032590700000000, -0.0013708500000000 ] - [ -0.0003612100000000, 0.0004311700000000, 0.0008363200000000 ] - [ 0.0008836900000000, -0.0000688100000000, 0.0000566100000000 ] - [ 0.0003924000000000, -0.0003375400000000, 0.0009124900000000 ] - [ -0.0002178200000000, -0.0006070200000000, -0.0000797600000000 ] - [ -0.0003857800000000, 0.0000752800000000, -0.0000287300000000 ] - [ 0.0009124100000000, -0.0039396300000000, -0.0014756800000000 ] - [ 0.0042098400000000, 0.1590090300000000, -0.0693617900000000 ] - [ -0.0019881100000000, 0.0010642700000000, 0.0019205400000000 ] - [ -0.0016360800000000, -0.0005020700000000, 0.0002587000000000 ] - [ 0.0005557900000000, -0.0002358300000000, 0.0001662300000000 ] - [ 0.0027482500000000, -0.0004320300000000, 0.0011100400000000 ] - [ -0.0008174400000000, 0.0000546800000000, 0.0002510400000000 ] - [ -0.0005498800000000, -0.0003535800000000, 0.0016267900000000 ] - [ -0.0003830600000000, 0.0000601400000000, -0.0001469500000000 ] - [ 0.0002112000000000, -0.0004912400000000, -0.0001113000000000 ] - [ -0.0000668700000000, -0.0004133500000000, -0.0002225600000000 ] - [ 0.0004984500000000, -0.0001224400000000, -0.0000666000000000 ] - [ -0.0004410200000000, -0.0001387600000000, -0.0003548000000000 ] - [ 0.0009490400000000, 0.0002428400000000, -0.0003579400000000 ] - [ 0.0003469200000000, -0.0000126700000000, -0.0006558900000000 ] - [ -0.0005088400000000, -0.0002460200000000, 0.0000737500000000 ] - [ 0.0006707500000000, -0.0003034800000000, -0.0006661000000000 ] - [ -0.0000654100000000, -0.0001443600000000, 0.0006616300000000 ] - [ 0.0003208600000000, -0.0003054400000000, -0.0008466700000000 ] - [ 0.0000375200000000, 0.0001079400000000, 0.0001603000000000 ] - [ 0.0012343300000000, -0.0012356500000000, 0.0015775300000000 ] - [ -0.0015880100000000, 0.0038864500000000, 0.0024174200000000 ] - [ -0.0002959300000000, 0.0003863400000000, 0.0006177200000000 ] - [ 0.0004241200000000, -0.0001601400000000, -0.0000353800000000 ] - [ 0.0002607900000000, -0.0001271500000000, -0.0001509000000000 ] - [ -0.0001957100000000, 0.0001906200000000, 0.0005478800000000 ] - [ 0.0003045400000000, -0.0003883900000000, 0.0000140100000000 ] - [ 0.0004896000000000, 0.0001388800000000, -0.0000847100000000 ] - [ -0.0000080100000000, -0.0002165200000000, -0.0003953000000000 ] - [ -0.0002181100000000, 0.0001294200000000, 0.0002020300000000 ] - [ -0.0006397200000000, -0.0000520100000000, -0.0007876400000000 ] - [ -0.0012386500000000, 0.0000014100000000, 0.0005780900000000 ] - [ -0.0166932800000000, -0.1879187500000000, 0.0983636800000000 ] - [ -0.0008254100000000, -0.0001843100000000, -0.0006862400000000 ] - [ -0.0003516700000000, 0.0000525600000000, -0.0004503400000000 ] - [ -0.0004667300000000, 0.0001576000000000, 0.0001791200000000 ] - [ -0.0005038800000000, 0.0000959300000000, -0.0001052600000000 ] - [ 0.0080426900000000, 0.0144676900000000, -0.0090578400000000 ] - [ -0.0000925600000000, -0.0002352400000000, -0.0003960300000000 ] - [ -0.0003937100000000, -0.0000803400000000, 0.0013640200000000 ] - [ -0.0004794900000000, -0.0001096700000000, -0.0002505200000000 ] - [ 0.0004938800000000, 0.0021414300000000, 0.0006901500000000 ] - [ 0.0000641900000000, 0.0000363100000000, -0.0000539800000000 ] - [ -0.0005534400000000, -0.0000776600000000, -0.0005826100000000 ] - [ -0.0106509300000000, -0.0033490600000000, -0.0082781100000000 ] - [ -0.0003596700000000, 0.0001815900000000, -0.0001148300000000 ] - [ -0.0005144000000000, 0.0000517700000000, -0.0006624200000000 ] - [ 0.0020822600000000, 0.0003208500000000, -0.0019844600000000 ] - [ -0.0029408800000000, 0.0017357600000000, 0.0032697500000000 ] - [ -0.0015787900000000, 0.0000328300000000, 0.0002170700000000 ] - [ 0.0004081300000000, 0.0003700000000000, 0.0001066800000000 ] - [ 0.0003371300000000, 0.0002458700000000, -0.0007184900000000 ] - [ 0.0017720500000000, -0.0005246200000000, -0.0000403300000000 ] - [ -0.0025888900000000, -0.0014991800000000, -0.0029193100000000 ] - [ 0.0001607900000000, -0.0001817900000000, -0.0001384500000000 ] - [ 0.0067299400000000, -0.0054889000000000, -0.0044268800000000 ] - [ 0.0093135700000000, 0.0013790200000000, 0.0042331000000000 ] - [ 0.0002368200000000, 0.0000780300000000, 0.0013325800000000 ] - [ 0.0004382300000000, -0.0001887600000000, -0.0006925000000000 ] - [ 0.0013854900000000, 0.0056153100000000, -0.0006267800000000 ] - [ 0.0002742300000000, 0.0001598500000000, -0.0002968600000000 ] - [ -0.0000148000000000, 0.0000811400000000, -0.0002947400000000 ] - [ 0.0005082300000000, 0.0000321300000000, -0.0000521700000000 ] - [ -0.0000497800000000, -0.0004798700000000, -0.0002177200000000 ] - [ -0.0001029000000000, 0.0001756400000000, -0.0004899500000000 ] - [ 0.0005584800000000, 0.0004696200000000, 0.0002284000000000 ] - [ 0.0004406400000000, 0.0007841200000000, -0.0008321300000000 ] - [ 0.0001782000000000, 0.0002470100000000, -0.0002983900000000 ] - [ -0.0018930300000000, 0.0013155800000000, -0.0007949900000000 ] - [ -0.0001045200000000, 0.0001382000000000, -0.0002375400000000 ] - [ -0.0007606200000000, -0.0005256400000000, -0.0011019900000000 ] - [ 0.0001412900000000, 0.0002083100000000, -0.0003378600000000 ] - [ -0.0059796100000000, 0.0068276700000000, 0.0002452600000000 ] - [ -0.0001068900000000, 0.0000075400000000, -0.0006521300000000 ] - [ 0.0002844000000000, 0.0000954100000000, -0.0002798800000000 ] - [ -0.0000851200000000, -0.0000896300000000, -0.0008521700000000 ] - [ -0.0000578200000000, 0.0001752900000000, -0.0007854900000000 ] - [ 0.0003800500000000, -0.0001324500000000, -0.0004008700000000 ] - [ 0.0001804100000000, -0.0001150400000000, -0.0004114200000000 ] - [ 0.0011267300000000, 0.0001274700000000, 0.0005084500000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000317000000000, 0.0005055700000000, 0.0011889800000000 ] - [ -0.0052548500000000, 0.0015237200000000, -0.0013376000000000 ] - [ -0.0004042500000000, 0.0003371300000000, -0.0008533700000000 ] - [ -0.0005801600000000, -0.0000958500000000, -0.0015313000000000 ] - [ 0.0002245600000000, -0.0003991900000000, -0.0013896400000000 ] - [ -0.0002416200000000, -0.0048017500000000, 0.0074756400000000 ] - [ 0.0003560900000000, -0.0000707000000000, 0.0004862100000000 ] - [ 0.0002602600000000, 0.0000373900000000, -0.0005274000000000 ] - [ 0.0009036900000000, 0.0006702500000000, 0.0006180300000000 ] - [ 0.0003210200000000, -0.0001752200000000, -0.0005148000000000 ] - [ 0.0024711300000000, 0.0016928900000000, -0.0044910400000000 ] - [ -0.0000904700000000, 0.0000132900000000, -0.0007633000000000 ] - [ -0.0000204100000000, -0.0002062100000000, -0.0006930000000000 ] - [ 0.0002032100000000, 0.0002783900000000, 0.0005958700000000 ] - [ -0.0036975700000000, -0.0023969000000000, 0.0069325600000000 ] - [ -0.0020116700000000, -0.0048237500000000, 0.0031563200000000 ] - [ 0.0004725300000000, -0.0001453000000000, -0.0001190400000000 ] - [ -0.0003825900000000, -0.0002410500000000, -0.0001752100000000 ] - [ 0.0001106700000000, -0.0001510000000000, 0.0000384500000000 ] - [ -0.0000290400000000, -0.0002354900000000, -0.0003317300000000 ] - [ 0.0006194000000000, -0.0005594900000000, 0.0000541700000000 ] - [ -0.0023639900000000, -0.0018325900000000, 0.0006330100000000 ] - [ 0.0006834100000000, 0.0000903100000000, 0.0004500200000000 ] - [ 0.0004342900000000, 0.0000672100000000, 0.0002006000000000 ] - [ -0.0009662500000000, 0.0004811800000000, -0.0005110000000000 ] - [ -0.0010276200000000, -0.0008335600000000, -0.0005858600000000 ] - [ 0.0015245700000000, 0.0028193000000000, 0.0012493400000000 ] - [ 0.0014433200000000, 0.0007177900000000, -0.0008830300000000 ] - [ -0.0015943800000000, 0.0002752100000000, -0.0010805300000000 ] - [ -0.0010618300000000, -0.0001327900000000, -0.0008647500000000 ] - [ 0.0000270200000000, -0.0005714000000000, 0.0008424900000000 ] - [ -0.0002360500000000, -0.0000276900000000, -0.0005438500000000 ] - [ -0.0002349500000000, 0.0041504000000000, 0.0025061000000000 ] - [ -0.0040964600000000, -0.1673274800000000, 0.0749640200000000 ] - [ 0.0009299700000000, 0.0000790000000000, -0.0019010300000000 ] - [ 0.0018481300000000, -0.0006766900000000, -0.0010235000000000 ] - [ 0.0001061400000000, -0.0002354900000000, -0.0002231900000000 ] - [ -0.0016905900000000, 0.0015641100000000, -0.0011605100000000 ] - [ 0.0001261600000000, 0.0001498500000000, -0.0012755900000000 ] - [ -0.0001123300000000, -0.0001171400000000, -0.0015876500000000 ] - [ 0.0000769900000000, 0.0000905800000000, -0.0000051400000000 ] - [ -0.0004645900000000, -0.0002975300000000, 0.0004209100000000 ] - [ 0.0003189100000000, -0.0003797500000000, -0.0000816200000000 ] - [ -0.0000998600000000, -0.0003132000000000, 0.0003835600000000 ] - [ 0.0000394000000000, -0.0002953300000000, 0.0000404100000000 ] - [ -0.0006499800000000, -0.0000942800000000, 0.0005136800000000 ] - [ -0.0006574100000000, 0.0001617400000000, 0.0005086700000000 ] - [ 0.0002629700000000, -0.0005459900000000, 0.0002345600000000 ] - [ -0.0004220300000000, -0.0004910100000000, 0.0003638200000000 ] - [ 0.0004743400000000, -0.0002835400000000, -0.0003474500000000 ] - [ -0.0007302800000000, -0.0001264500000000, 0.0005383000000000 ] - [ 0.0002695700000000, 0.0000401300000000, -0.0000088100000000 ] - [ -0.0007072400000000, 0.0018044400000000, -0.0016732000000000 ] - [ 0.0020970400000000, -0.0035152700000000, -0.0035988100000000 ] - [ 0.0003150400000000, 0.0000834100000000, 0.0003647400000000 ] - [ 0.0000663900000000, 0.0000206800000000, 0.0003609400000000 ] - [ -0.0003733000000000, 0.0001164400000000, -0.0003864300000000 ] - [ -0.0002428800000000, 0.0002094900000000, 0.0006582400000000 ] - [ 0.0000794600000000, -0.0004876600000000, 0.0000025800000000 ] - [ 0.0003150800000000, 0.0001078900000000, -0.0002028300000000 ] - [ 0.0005515100000000, -0.0002489500000000, 0.0006307500000000 ] - [ -0.0001621200000000, 0.0001036600000000, 0.0003402300000000 ] - [ 0.0007677300000000, 0.0002373500000000, 0.0008366300000000 ] - [ 0.0004433000000000, 0.0002476200000000, -0.0002947300000000 ] - [ 0.0180923800000000, 0.1956629600000000, -0.1033661100000000 ] - [ 0.0004490400000000, -0.0006928600000000, 0.0006789900000000 ] - [ 0.0003823100000000, 0.0002324400000000, 0.0006135800000000 ] - [ -0.0000510000000000, 0.0004214500000000, -0.0000927000000000 ] - [ 0.0001604400000000, -0.0002266000000000, 0.0008163000000000 ] - [ -0.0075476100000000, -0.0139346200000000, 0.0084995600000000 ] - [ -0.0004486200000000, -0.0002303000000000, 0.0001700600000000 ] - [ 0.0003517900000000, 0.0003983900000000, -0.0014989000000000 ] - [ -0.0004237700000000, 0.0001006100000000, 0.0002306100000000 ] - [ -0.0005430100000000, -0.0017281600000000, -0.0016991100000000 ] - [ -0.0001849300000000, 0.0001492100000000, 0.0000141300000000 ] - [ 0.0000658300000000, -0.0000619200000000, 0.0002644900000000 ] - [ 0.0111538300000000, 0.0037415200000000, 0.0078135800000000 ] - [ -0.0000428000000000, 0.0002734100000000, 0.0005405900000000 ] - [ -0.0002027300000000, -0.0002335800000000, 0.0008358100000000 ] - [ -0.0013885300000000, -0.0005048000000000, 0.0018401500000000 ] - [ 0.0032863600000000, -0.0018295100000000, -0.0039876500000000 ] - [ 0.0016904100000000, -0.0000464800000000, 0.0003143800000000 ] - [ 0.0001092800000000, 0.0002071700000000, -0.0001963300000000 ] - [ 0.0000983700000000, 0.0001531700000000, -0.0004855500000000 ] - [ -0.0017760100000000, 0.0010017700000000, 0.0010326800000000 ] - [ 0.0030749100000000, 0.0013549000000000, 0.0032348100000000 ] - [ -0.0002694400000000, 0.0001698200000000, -0.0003987900000000 ] - [ -0.0072877800000000, 0.0060582400000000, 0.0056976000000000 ] - [ -0.0089542100000000, -0.0021634800000000, -0.0042391900000000 ] - [ 0.0005714300000000, 0.0001747500000000, -0.0016377600000000 ] - [ 0.0000988800000000, -0.0002768900000000, 0.0009299600000000 ] - [ -0.0018146400000000, -0.0054351700000000, 0.0012293200000000 ] - [ -0.0001572200000000, 0.0000242200000000, 0.0003406300000000 ] - [ -0.0007959300000000, 0.0001664600000000, 0.0005870500000000 ] - [ 0.0003937200000000, -0.0000426400000000, 0.0000750900000000 ] - [ -0.0003372300000000, -0.0003954100000000, 0.0002035800000000 ] - [ 0.0001323300000000, 0.0001092500000000, 0.0006555600000000 ] - [ -0.0010868600000000, 0.0001076100000000, -0.0001417000000000 ] - [ -0.0007932900000000, -0.0009198900000000, 0.0015513900000000 ] - [ 0.0002258000000000, 0.0002073600000000, -0.0001242100000000 ] - [ 0.0013972500000000, -0.0018046700000000, 0.0005989800000000 ] - [ 0.0000780000000000, 0.0001471600000000, 0.0000804800000000 ] - [ -0.0001383900000000, 0.0005219000000000, 0.0010959100000000 ] - [ -0.0001615300000000, 0.0002626600000000, -0.0006486300000000 ] - [ 0.0058350700000000, -0.0066310300000000, -0.0003334100000000 ] - [ -0.0003870200000000, -0.0001491200000000, 0.0003335000000000 ] - [ 0.0000935800000000, 0.0001381500000000, -0.0002626700000000 ] - [ -0.0003194500000000, 0.0005472700000000, 0.0012866700000000 ] - [ -0.0006628100000000, -0.0003603600000000, 0.0009608600000000 ] - [ 0.0003381000000000, -0.0000492600000000, 0.0002385500000000 ] - [ 0.0001646000000000, -0.0000137600000000, -0.0002959600000000 ] - [ -0.0010371300000000, -0.0001420400000000, 0.0000209400000000 ]- atom: 65 displacement: [ -0.0057565208649526, 0.0000000000000000, 0.0081769473235044 ] forces: - [ 0.0003015600000000, 0.0001019100000000, 0.0021740000000000 ] - [ -0.0054187600000000, 0.0006073300000000, 0.0002228700000000 ] - [ -0.0001743600000000, 0.0003298600000000, -0.0008005400000000 ] - [ -0.0010851700000000, -0.0002301400000000, -0.0020162300000000 ] - [ -0.0012154500000000, -0.0007513100000000, -0.0031493600000000 ] - [ -0.0161985600000000, 0.0003816300000000, 0.0118758500000000 ] - [ 0.0013931100000000, 0.0000794600000000, 0.0007364600000000 ] - [ 0.0008315700000000, -0.0000173100000000, -0.0006779700000000 ] - [ 0.0019909800000000, 0.0007089600000000, -0.0002033200000000 ] - [ 0.0010932800000000, -0.0002530400000000, -0.0009284900000000 ] - [ 0.0024122800000000, 0.0023109600000000, -0.0059625200000000 ] - [ -0.0001137300000000, 0.0000808300000000, -0.0013420000000000 ] - [ 0.0001601900000000, -0.0001541700000000, -0.0009336500000000 ] - [ 0.0009632500000000, 0.0003258700000000, 0.0005262200000000 ] - [ 0.0126220300000000, -0.0033832700000000, 0.0020730000000000 ] - [ -0.0035000100000000, -0.0017819400000000, 0.0230488600000000 ] - [ 0.0005180700000000, -0.0001388500000000, -0.0003121900000000 ] - [ -0.0003899300000000, -0.0002205200000000, -0.0000820100000000 ] - [ 0.0001834600000000, -0.0000739700000000, 0.0002325500000000 ] - [ 0.0000782200000000, -0.0002632800000000, -0.0005956100000000 ] - [ 0.0037187900000000, -0.0012373600000000, 0.0022146000000000 ] - [ -0.0047183200000000, -0.0023361800000000, -0.0056997300000000 ] - [ 0.0012855300000000, 0.0001111400000000, 0.0001291000000000 ] - [ 0.0010475600000000, 0.0001157900000000, 0.0001545100000000 ] - [ -0.0010152100000000, 0.0004913300000000, -0.0003974500000000 ] - [ -0.0010209600000000, -0.0007929800000000, -0.0001431700000000 ] - [ 0.0032467600000000, -0.0028717900000000, -0.0032308900000000 ] - [ 0.0022161000000000, 0.0008752600000000, -0.0015981900000000 ] - [ -0.0019745400000000, 0.0004710500000000, -0.0007748300000000 ] - [ -0.0013296400000000, -0.0002530800000000, -0.0008841700000000 ] - [ 0.0017367300000000, -0.0010376200000000, 0.0013687400000000 ] - [ 0.0002015800000000, -0.0000917800000000, -0.0006991000000000 ] - [ -0.0007753800000000, 0.0024582700000000, 0.0023114700000000 ] - [ -0.0161123100000000, -0.0516030900000000, 0.0475097000000000 ] - [ 0.0019183600000000, 0.0000310200000000, -0.0034094900000000 ] - [ 0.0026976700000000, -0.0003806800000000, -0.0020777900000000 ] - [ 0.0005473300000000, -0.0001381500000000, 0.0000951400000000 ] - [ -0.0028892400000000, 0.0007860000000000, -0.0008366000000000 ] - [ 0.0005486000000000, 0.0001522700000000, -0.0020554600000000 ] - [ -0.0002518600000000, -0.0000470900000000, -0.0027392400000000 ] - [ 0.0001186500000000, 0.0001135300000000, -0.0001341500000000 ] - [ -0.0006361300000000, -0.0002331600000000, 0.0006162800000000 ] - [ 0.0003310700000000, -0.0003875500000000, -0.0001624900000000 ] - [ -0.0005291400000000, -0.0003592100000000, 0.0008695500000000 ] - [ 0.0001369700000000, -0.0003100600000000, -0.0000698500000000 ] - [ -0.0008409800000000, 0.0000445400000000, 0.0003172000000000 ] - [ -0.0009464100000000, 0.0002294900000000, 0.0011042300000000 ] - [ 0.0004141800000000, -0.0006888900000000, 0.0000855600000000 ] - [ -0.0005860100000000, -0.0005972200000000, 0.0005652100000000 ] - [ 0.0005791800000000, -0.0003362900000000, -0.0010647200000000 ] - [ -0.0010762900000000, -0.0000759900000000, 0.0011021000000000 ] - [ 0.0000221300000000, 0.0000775800000000, -0.0001415400000000 ] - [ -0.0003080100000000, 0.0008327800000000, -0.0020217800000000 ] - [ 0.0046250900000000, 0.0001450300000000, -0.0022338800000000 ] - [ 0.0001347200000000, 0.0000700300000000, 0.0000605000000000 ] - [ -0.0001812500000000, 0.0001262300000000, 0.0004538500000000 ] - [ -0.0020349100000000, 0.0008532700000000, -0.0015813200000000 ] - [ -0.0005408300000000, 0.0003236800000000, 0.0007299700000000 ] - [ -0.0002557500000000, -0.0005642000000000, 0.0000041300000000 ] - [ -0.0000611800000000, 0.0000700700000000, -0.0000336300000000 ] - [ 0.0005913800000000, -0.0001850600000000, 0.0006199800000000 ] - [ -0.0004818500000000, 0.0000929700000000, 0.0002110900000000 ] - [ 0.0010503500000000, 0.0001929500000000, 0.0005763500000000 ] - [ 0.0007520600000000, 0.0003315800000000, -0.0008764800000000 ] - [ 0.0356931000000000, 0.0930693200000000, -0.0953786400000000 ] - [ 0.0009171000000000, -0.0007415300000000, 0.0007674400000000 ] - [ 0.0006482400000000, 0.0001990700000000, 0.0009065500000000 ] - [ -0.0001734500000000, 0.0005001700000000, -0.0003351000000000 ] - [ 0.0001044200000000, -0.0002397000000000, 0.0008013500000000 ] - [ -0.0044439300000000, -0.0122189500000000, 0.0044694300000000 ] - [ -0.0006703100000000, -0.0002276600000000, 0.0003790200000000 ] - [ -0.0000684100000000, 0.0027979000000000, 0.0057911000000000 ] - [ -0.0005704700000000, 0.0001752000000000, 0.0003530100000000 ] - [ -0.0018558300000000, -0.0031593700000000, -0.0026481700000000 ] - [ -0.0005158300000000, 0.0002412700000000, 0.0001114000000000 ] - [ 0.0001161500000000, -0.0000812500000000, 0.0003439300000000 ] - [ 0.0133831800000000, -0.0046657200000000, 0.0039930800000000 ] - [ -0.0000218300000000, 0.0002585900000000, 0.0005796900000000 ] - [ 0.0002848500000000, 0.0001370600000000, 0.0008355400000000 ] - [ -0.0012537600000000, 0.0004205000000000, 0.0029630600000000 ] - [ -0.0075592500000000, 0.0040272400000000, -0.0011913000000000 ] - [ 0.0016395800000000, -0.0001885100000000, -0.0000962600000000 ] - [ -0.0003714500000000, 0.0003078400000000, -0.0000711900000000 ] - [ -0.0002425200000000, 0.0000788400000000, -0.0002639200000000 ] - [ -0.0020622300000000, 0.0012007300000000, 0.0016892300000000 ] - [ 0.0032237600000000, 0.0007973200000000, 0.0027502100000000 ] - [ -0.0029029600000000, -0.0002203300000000, -0.0013556000000000 ] - [ -0.0090301900000000, -0.0163779300000000, 0.0165678700000000 ] - [ -0.0054054600000000, -0.0050481700000000, -0.0077036600000000 ] - [ -0.0000195600000000, 0.0006358200000000, -0.0011176300000000 ] - [ 0.0000662300000000, -0.0003471000000000, 0.0014923100000000 ] - [ -0.0006898200000000, 0.0011786600000000, 0.0048387900000000 ] - [ -0.0003986900000000, -0.0000265200000000, 0.0006358000000000 ] - [ -0.0012673400000000, 0.0001520500000000, 0.0012586300000000 ] - [ 0.0000566900000000, -0.0000899800000000, 0.0000835600000000 ] - [ -0.0005097300000000, -0.0003593700000000, 0.0003897700000000 ] - [ 0.0003602500000000, 0.0001820000000000, 0.0009426500000000 ] - [ -0.0016888900000000, 0.0000271300000000, 0.0007652000000000 ] - [ -0.0007685500000000, -0.0017041800000000, 0.0022448900000000 ] - [ -0.0000343500000000, 0.0001669500000000, -0.0001587200000000 ] - [ 0.0037790200000000, -0.0029813100000000, 0.0016433300000000 ] - [ -0.0002223400000000, 0.0002807600000000, 0.0000393000000000 ] - [ 0.0006892300000000, 0.0007104200000000, 0.0015599400000000 ] - [ -0.0008294900000000, 0.0001075700000000, -0.0005106900000000 ] - [ 0.0021268600000000, -0.0008172900000000, -0.0044728500000000 ] - [ -0.0003936800000000, -0.0003138200000000, 0.0009116000000000 ] - [ -0.0002841700000000, 0.0000769900000000, -0.0002995200000000 ] - [ -0.0000268000000000, 0.0008247800000000, 0.0020008500000000 ] - [ -0.0009242600000000, -0.0006147700000000, 0.0015125900000000 ] - [ 0.0002337200000000, -0.0001197700000000, 0.0002034700000000 ] - [ -0.0003208700000000, -0.0000476100000000, -0.0005319400000000 ] - [ -0.0016026000000000, -0.0000907800000000, 0.0001914000000000 ]- atom: 65 displacement: [ 0.0057565208649526, 0.0000000000000000, -0.0081769473235044 ] forces: - [ -0.0002954500000000, 0.0007682800000000, -0.0021786100000000 ] - [ 0.0049378100000000, -0.0007579000000000, -0.0009130700000000 ] - [ -0.0000571400000000, 0.0002688400000000, -0.0004225200000000 ] - [ 0.0008474900000000, 0.0002984400000000, 0.0024526900000000 ] - [ 0.0012209700000000, 0.0003025900000000, 0.0031654900000000 ] - [ 0.0167745900000000, 0.0003253400000000, -0.0105227300000000 ] - [ -0.0008696500000000, -0.0002237500000000, -0.0000324700000000 ] - [ -0.0005975300000000, 0.0000851500000000, 0.0002532900000000 ] - [ -0.0019922300000000, 0.0001619400000000, 0.0002070600000000 ] - [ -0.0016154400000000, 0.0001089300000000, 0.0002264400000000 ] - [ -0.0026651900000000, -0.0016921600000000, 0.0047392600000000 ] - [ -0.0001185700000000, -0.0000130700000000, 0.0017745900000000 ] - [ -0.0001614900000000, -0.0002976000000000, 0.0009361500000000 ] - [ -0.0007276600000000, 0.0002736000000000, 0.0007007900000000 ] - [ -0.0120967200000000, 0.0032209800000000, -0.0013453200000000 ] - [ 0.0033931600000000, 0.0020571300000000, -0.0240733800000000 ] - [ -0.0000230300000000, -0.0002635900000000, 0.0004069900000000 ] - [ -0.0001036000000000, -0.0002550600000000, -0.0000172900000000 ] - [ 0.0003128400000000, -0.0003320300000000, -0.0001305200000000 ] - [ -0.0005762300000000, -0.0002108900000000, 0.0004959700000000 ] - [ -0.0039205000000000, 0.0000653900000000, -0.0014802800000000 ] - [ 0.0040680400000000, 0.0023833300000000, 0.0051485200000000 ] - [ -0.0005897900000000, 0.0000930300000000, 0.0008870300000000 ] - [ -0.0004224500000000, -0.0000669200000000, 0.0004168300000000 ] - [ -0.0000555700000000, 0.0006560800000000, 0.0004395900000000 ] - [ 0.0012262800000000, -0.0003823500000000, -0.0006092900000000 ] - [ -0.0026040200000000, 0.0024333300000000, 0.0031529900000000 ] - [ -0.0011478300000000, 0.0002710000000000, 0.0015616400000000 ] - [ 0.0012854900000000, -0.0002683100000000, -0.0002360000000000 ] - [ 0.0006714800000000, -0.0002196300000000, 0.0009469800000000 ] - [ -0.0019287600000000, -0.0001425500000000, -0.0006122200000000 ] - [ -0.0008241000000000, 0.0001410500000000, 0.0001306300000000 ] - [ 0.0014563900000000, -0.0022801000000000, -0.0013117500000000 ] - [ 0.0169344500000000, 0.0502154200000000, -0.0466480400000000 ] - [ -0.0029995100000000, 0.0011155500000000, 0.0034574700000000 ] - [ -0.0025071600000000, -0.0007962000000000, 0.0013226700000000 ] - [ 0.0001196400000000, -0.0003332100000000, -0.0001492500000000 ] - [ 0.0039767800000000, 0.0003611300000000, 0.0008058800000000 ] - [ -0.0012457100000000, 0.0000516900000000, 0.0010419600000000 ] - [ -0.0004176700000000, -0.0004261800000000, 0.0027967000000000 ] - [ -0.0004353800000000, 0.0000439700000000, -0.0000151700000000 ] - [ 0.0003808000000000, -0.0005556700000000, -0.0003054900000000 ] - [ -0.0000693500000000, -0.0004109200000000, -0.0001416400000000 ] - [ 0.0009273000000000, -0.0000803100000000, -0.0005600000000000 ] - [ -0.0005366900000000, -0.0001276800000000, -0.0002434700000000 ] - [ 0.0011528300000000, 0.0001074700000000, -0.0001602500000000 ] - [ 0.0006357400000000, -0.0000750700000000, -0.0012562100000000 ] - [ -0.0006778400000000, -0.0000989900000000, 0.0002263200000000 ] - [ 0.0008458000000000, -0.0001985500000000, -0.0008688200000000 ] - [ -0.0001843100000000, -0.0001050800000000, 0.0013788700000000 ] - [ 0.0006768000000000, -0.0003592700000000, -0.0014199100000000 ] - [ 0.0002951900000000, 0.0000811300000000, 0.0002874600000000 ] - [ 0.0008234600000000, -0.0002545300000000, 0.0019389900000000 ] - [ -0.0041978800000000, 0.0002604000000000, 0.0010053800000000 ] - [ -0.0001216700000000, 0.0004029300000000, 0.0009247500000000 ] - [ 0.0006725700000000, -0.0002663700000000, -0.0001306400000000 ] - [ 0.0019359400000000, -0.0008712500000000, 0.0010542000000000 ] - [ 0.0001039200000000, 0.0000760200000000, 0.0004734700000000 ] - [ 0.0006398400000000, -0.0003123700000000, 0.0000121700000000 ] - [ 0.0008665200000000, 0.0001778900000000, -0.0002543800000000 ] - [ -0.0000486900000000, -0.0002799900000000, -0.0003951000000000 ] - [ 0.0001024700000000, 0.0001398900000000, 0.0003297400000000 ] - [ -0.0009309900000000, -0.0000084800000000, -0.0005445000000000 ] - [ -0.0015632500000000, -0.0000856500000000, 0.0011661500000000 ] - [ -0.0350179800000000, -0.0918261800000000, 0.0954267900000000 ] - [ -0.0013028300000000, -0.0001336700000000, -0.0007908900000000 ] - [ -0.0006235600000000, 0.0000830700000000, -0.0007529200000000 ] - [ -0.0003495300000000, 0.0000759500000000, 0.0004228900000000 ] - [ -0.0004541900000000, 0.0001089400000000, -0.0001004300000000 ] - [ 0.0049091300000000, 0.0128532700000000, -0.0049345100000000 ] - [ 0.0001294000000000, -0.0002373700000000, -0.0006075600000000 ] - [ 0.0000429500000000, -0.0025572300000000, -0.0060186300000000 ] - [ -0.0003319600000000, -0.0001865800000000, -0.0003790200000000 ] - [ 0.0018395500000000, 0.0036371200000000, 0.0016655700000000 ] - [ 0.0003953200000000, -0.0000560200000000, -0.0001512200000000 ] - [ -0.0006058500000000, -0.0000575300000000, -0.0006699000000000 ] - [ -0.0129715300000000, 0.0048895700000000, -0.0046030000000000 ] - [ -0.0003827300000000, 0.0001973200000000, -0.0001602400000000 ] - [ -0.0010059300000000, -0.0003193200000000, -0.0006721200000000 ] - [ 0.0019766500000000, -0.0006033700000000, -0.0031355100000000 ] - [ 0.0079806000000000, -0.0041862600000000, 0.0005200000000000 ] - [ -0.0015526800000000, 0.0001757500000000, 0.0006264300000000 ] - [ 0.0008923500000000, 0.0002693200000000, -0.0000163400000000 ] - [ 0.0006786800000000, 0.0003206300000000, -0.0009409200000000 ] - [ 0.0020825100000000, -0.0007283500000000, -0.0007052400000000 ] - [ -0.0027450700000000, -0.0009452500000000, -0.0024417000000000 ] - [ 0.0027927100000000, 0.0002028900000000, 0.0008160000000000 ] - [ 0.0084146800000000, 0.0164512400000000, -0.0150163700000000 ] - [ 0.0058434600000000, 0.0041918700000000, 0.0076957100000000 ] - [ 0.0008326100000000, -0.0003842300000000, 0.0008197400000000 ] - [ 0.0004774200000000, -0.0001180000000000, -0.0012682400000000 ] - [ 0.0003267700000000, -0.0009077100000000, -0.0042896000000000 ] - [ 0.0005205600000000, 0.0002121200000000, -0.0005980200000000 ] - [ 0.0004622900000000, 0.0000956300000000, -0.0009710500000000 ] - [ 0.0008446100000000, 0.0000795100000000, -0.0000600200000000 ] - [ 0.0001262600000000, -0.0005174500000000, -0.0004073900000000 ] - [ -0.0003282200000000, 0.0001027300000000, -0.0007855000000000 ] - [ 0.0011694100000000, 0.0005507700000000, -0.0006765100000000 ] - [ 0.0004283700000000, 0.0015677200000000, -0.0015414100000000 ] - [ 0.0004376100000000, 0.0002891800000000, -0.0002646100000000 ] - [ -0.0043474200000000, 0.0025429400000000, -0.0018892500000000 ] - [ 0.0001933800000000, 0.0000019500000000, -0.0001987300000000 ] - [ -0.0015830100000000, -0.0007290600000000, -0.0015927700000000 ] - [ 0.0008124100000000, 0.0003641200000000, -0.0004740900000000 ] - [ -0.0022271500000000, 0.0010058800000000, 0.0044518000000000 ] - [ -0.0000944500000000, 0.0001765200000000, -0.0012401200000000 ] - [ 0.0006619500000000, 0.0001554900000000, -0.0002434200000000 ] - [ -0.0003700700000000, -0.0003682700000000, -0.0015795000000000 ] - [ 0.0002083200000000, 0.0004339200000000, -0.0013472300000000 ] - [ 0.0004866400000000, -0.0000619200000000, -0.0003742500000000 ] - [ 0.0006662900000000, -0.0000850900000000, -0.0001746200000000 ] - [ 0.0017056900000000, 0.0000772800000000, 0.0003411500000000 ]- atom: 67 displacement: [ 0.0099999987502926, 0.0000000000000000, -0.0000049994145799 ] forces: - [ -0.0017080000000000, 0.0002004900000000, -0.0035899200000000 ] - [ -0.0031679700000000, 0.0001684500000000, -0.0023501700000000 ] - [ 0.0035880900000000, 0.0013218000000000, -0.0076435700000000 ] - [ -0.0024355000000000, -0.0001475900000000, 0.0000118000000000 ] - [ 0.0082497200000000, 0.0018948200000000, -0.0045831300000000 ] - [ -0.0009353900000000, 0.0001102100000000, -0.0014577200000000 ] - [ 0.0009322400000000, 0.0000096400000000, -0.0024677500000000 ] - [ -0.0006069800000000, -0.0000433800000000, -0.0004376800000000 ] - [ -0.0004880800000000, 0.0000921700000000, 0.0020743500000000 ] - [ 0.0009377500000000, 0.0004829600000000, 0.0042566900000000 ] - [ -0.0015564900000000, 0.0004947500000000, -0.0004559700000000 ] - [ 0.0133154100000000, 0.0030924400000000, 0.0073318600000000 ] - [ -0.0018010900000000, -0.0001247900000000, 0.0000632000000000 ] - [ 0.0009159500000000, 0.0003264200000000, 0.0017167100000000 ] - [ 0.0000734300000000, -0.0000985200000000, 0.0006798000000000 ] - [ 0.0024460000000000, -0.0000963900000000, -0.0025231600000000 ] - [ -0.0000484800000000, -0.0000460800000000, -0.0004670500000000 ] - [ 0.0001898700000000, 0.0005500300000000, 0.0007008100000000 ] - [ 0.0003006900000000, 0.0001641200000000, 0.0009120600000000 ] - [ -0.0007521100000000, -0.0002242800000000, -0.0001196200000000 ] - [ -0.0020309200000000, -0.0003015700000000, -0.0021391800000000 ] - [ -0.0018028700000000, -0.0000524600000000, -0.0010519200000000 ] - [ -0.0000838100000000, 0.0000112700000000, -0.0008398800000000 ] - [ 0.0020838000000000, 0.0000469200000000, 0.0000245800000000 ] - [ -0.0032146400000000, 0.0007637100000000, 0.0012346000000000 ] - [ -0.0070591900000000, -0.0021488200000000, -0.0064300000000000 ] - [ -0.0023706900000000, -0.0004044000000000, -0.0041961500000000 ] - [ -0.0012315600000000, 0.0007426500000000, -0.0004651700000000 ] - [ -0.0028703400000000, 0.0002894900000000, -0.0007835800000000 ] - [ 0.1376414800000000, 0.0696624500000000, 0.0224730800000000 ] - [ 0.0005870800000000, -0.0004930400000000, 0.0019308600000000 ] - [ 0.0059508000000000, 0.0015145600000000, 0.0022572500000000 ] - [ 0.0014600300000000, 0.0001469500000000, 0.0010980500000000 ] - [ -0.0000442500000000, 0.0001580800000000, -0.0008005300000000 ] - [ -0.0038932000000000, -0.0020588300000000, -0.0022485300000000 ] - [ -0.0017891600000000, -0.0007826100000000, 0.0005302800000000 ] - [ 0.0001725500000000, 0.0001462400000000, 0.0012232700000000 ] - [ 0.0050099300000000, -0.0008287000000000, 0.0036872400000000 ] - [ -0.0053091800000000, 0.0005133900000000, 0.0020220900000000 ] - [ -0.0021558400000000, -0.0002035800000000, -0.0004326500000000 ] - [ 0.0041397000000000, 0.0030045600000000, 0.0017376300000000 ] - [ 0.0006223600000000, -0.0004555500000000, 0.0003311200000000 ] - [ 0.0005579900000000, -0.0001057600000000, -0.0007670800000000 ] - [ 0.0006009600000000, -0.0000432800000000, 0.0005356100000000 ] - [ 0.0010141500000000, -0.0004974600000000, -0.0010794800000000 ] - [ 0.0006402500000000, 0.0000972500000000, 0.0008385000000000 ] - [ 0.0005735200000000, 0.0001289700000000, -0.0004031200000000 ] - [ 0.0001969400000000, -0.0004475900000000, -0.0017745300000000 ] - [ 0.0012771300000000, 0.0001886200000000, 0.0002244600000000 ] - [ -0.0004847000000000, -0.0005263300000000, -0.0002109100000000 ] - [ 0.0011213900000000, -0.0005318300000000, -0.0010087000000000 ] - [ 0.0001560400000000, 0.0000087400000000, -0.0007406600000000 ] - [ 0.0010638800000000, 0.0006285600000000, 0.0013116000000000 ] - [ 0.0008187800000000, 0.0005574200000000, 0.0000190900000000 ] - [ 0.0006713600000000, 0.0007518700000000, 0.0029832300000000 ] - [ 0.0011884600000000, -0.0004292100000000, 0.0004924000000000 ] - [ 0.0010913000000000, -0.0006006800000000, 0.0013228100000000 ] - [ -0.0018661000000000, 0.0000924500000000, 0.0024287000000000 ] - [ 0.0003632100000000, -0.0002321300000000, 0.0005619600000000 ] - [ 0.0002327700000000, 0.0000923300000000, 0.0013312300000000 ] - [ 0.0013733000000000, -0.0003616400000000, -0.0000275200000000 ] - [ -0.0030061400000000, 0.0008256300000000, 0.0005183500000000 ] - [ 0.0012506000000000, 0.0005703600000000, 0.0003268300000000 ] - [ 0.0007592900000000, 0.0001650400000000, 0.0004123700000000 ] - [ 0.0005565200000000, -0.0003714500000000, 0.0008601000000000 ] - [ 0.0010599100000000, -0.0008872600000000, 0.0005745100000000 ] - [ -0.1511104500000000, -0.0913143700000000, -0.0381663300000000 ] - [ 0.0005322400000000, -0.0005176300000000, 0.0028729600000000 ] - [ 0.0034704500000000, -0.0038291000000000, 0.0114760100000000 ] - [ 0.0003488000000000, -0.0002970600000000, 0.0013803900000000 ] - [ 0.0005385300000000, 0.0000201100000000, 0.0003403000000000 ] - [ 0.0019735700000000, 0.0011202300000000, 0.0033738000000000 ] - [ -0.0055046100000000, 0.0003604000000000, -0.0036209400000000 ] - [ 0.0008573600000000, 0.0002697300000000, 0.0008480800000000 ] - [ -0.0000241200000000, -0.0001260100000000, 0.0005866900000000 ] - [ 0.0009981700000000, 0.0004307400000000, -0.0000094900000000 ] - [ 0.0011307400000000, -0.0000048000000000, 0.0008034300000000 ] - [ -0.0174820100000000, 0.0071940600000000, 0.0055492900000000 ] - [ -0.0098641800000000, 0.0021113600000000, -0.0023850600000000 ] - [ 0.0008507900000000, -0.0010480100000000, 0.0030457300000000 ] - [ 0.0013342400000000, 0.0007001700000000, 0.0019789600000000 ] - [ 0.0035345600000000, 0.0012691100000000, 0.0029165400000000 ] - [ 0.0000534300000000, 0.0000815000000000, -0.0012213700000000 ] - [ -0.0014164200000000, -0.0007052100000000, -0.0008575000000000 ] - [ 0.0005209200000000, -0.0001150800000000, -0.0000769800000000 ] - [ -0.0040186800000000, 0.0025881000000000, 0.0003441900000000 ] - [ -0.0004333400000000, 0.0003685200000000, -0.0009763800000000 ] - [ 0.0000064600000000, 0.0002427300000000, 0.0007139900000000 ] - [ -0.0003405000000000, -0.0007046100000000, 0.0000190500000000 ] - [ 0.0003723400000000, 0.0000144300000000, -0.0005836700000000 ] - [ 0.0040876700000000, -0.0022394400000000, 0.0025215900000000 ] - [ 0.0005327400000000, -0.0001613000000000, 0.0006456100000000 ] - [ 0.0038595100000000, 0.0019857700000000, -0.0052817500000000 ] - [ 0.0012114500000000, -0.0001277800000000, -0.0026160500000000 ] - [ 0.0000279800000000, -0.0001226800000000, 0.0001313700000000 ] - [ 0.0018886200000000, -0.0001342100000000, -0.0038708000000000 ] - [ 0.0012831200000000, 0.0006668800000000, 0.0003378500000000 ] - [ 0.0002854500000000, 0.0005797700000000, -0.0004985500000000 ] - [ 0.0007286700000000, -0.0002129100000000, 0.0007548900000000 ] - [ 0.0002424300000000, 0.0004585600000000, -0.0006043700000000 ] - [ -0.0034590000000000, -0.0016702200000000, -0.0002605200000000 ] - [ 0.0002458600000000, 0.0000145600000000, -0.0002133000000000 ] - [ 0.0004680300000000, 0.0000853000000000, 0.0003821600000000 ] - [ -0.0002892700000000, 0.0000533200000000, -0.0015048800000000 ] - [ -0.0006747700000000, 0.0004388800000000, 0.0001522700000000 ] - [ 0.0089930200000000, 0.0066589300000000, 0.0051640100000000 ] - [ -0.0013403900000000, 0.0001617000000000, -0.0013599900000000 ] - [ 0.0006872900000000, 0.0000231200000000, 0.0003129300000000 ] - [ 0.0005598200000000, -0.0001136800000000, 0.0001409800000000 ] - [ 0.0014219500000000, -0.0006119100000000, -0.0008603900000000 ] - [ -0.0002954200000000, -0.0003421400000000, -0.0011350300000000 ] - [ 0.0007349400000000, 0.0000295600000000, -0.0002335100000000 ]- atom: 67 displacement: [ -0.0099999987502926, 0.0000000000000000, 0.0000049994145799 ] forces: - [ 0.0017152700000000, 0.0006667300000000, 0.0035967500000000 ] - [ 0.0026538100000000, -0.0003127100000000, 0.0016458300000000 ] - [ -0.0038475500000000, -0.0007264800000000, 0.0064180300000000 ] - [ 0.0022003100000000, 0.0002161800000000, 0.0004125200000000 ] - [ -0.0081263200000000, -0.0024217300000000, 0.0048112500000000 ] - [ 0.0011764200000000, 0.0004897100000000, 0.0026852600000000 ] - [ -0.0004138700000000, -0.0001523700000000, 0.0031820300000000 ] - [ 0.0008361700000000, 0.0001117100000000, 0.0000142700000000 ] - [ 0.0004825100000000, 0.0007752300000000, -0.0020631500000000 ] - [ -0.0014600400000000, -0.0006254000000000, -0.0049477900000000 ] - [ 0.0013181500000000, 0.0001039100000000, -0.0007655200000000 ] - [ -0.0133856900000000, -0.0025832100000000, -0.0070493900000000 ] - [ 0.0017964600000000, -0.0003258300000000, -0.0000630500000000 ] - [ -0.0006868100000000, 0.0002720600000000, -0.0004848700000000 ] - [ 0.0004475000000000, -0.0000455500000000, 0.0000351100000000 ] - [ -0.0021932100000000, 0.0001702900000000, 0.0021120200000000 ] - [ 0.0005413000000000, -0.0003611000000000, 0.0005603600000000 ] - [ -0.0006604000000000, -0.0010218300000000, -0.0008174300000000 ] - [ 0.0001913500000000, -0.0005716400000000, -0.0008094200000000 ] - [ 0.0002555500000000, -0.0002517700000000, 0.0000267700000000 ] - [ 0.0018422100000000, -0.0008770300000000, 0.0028972500000000 ] - [ 0.0011805500000000, 0.0001007700000000, 0.0004845500000000 ] - [ 0.0007782500000000, 0.0001919400000000, 0.0018573000000000 ] - [ -0.0014654100000000, -0.0000000100000000, 0.0005474600000000 ] - [ 0.0021362600000000, 0.0003816000000000, -0.0012004700000000 ] - [ 0.0073048900000000, 0.0009838100000000, 0.0056879400000000 ] - [ 0.0030474700000000, -0.0000744900000000, 0.0041361700000000 ] - [ 0.0022991800000000, 0.0004045800000000, 0.0004280100000000 ] - [ 0.0021797300000000, -0.0000857700000000, -0.0002373700000000 ] - [ -0.1439131300000000, -0.0747288100000000, -0.0243671800000000 ] - [ -0.0007876800000000, -0.0006827200000000, -0.0011662900000000 ] - [ -0.0065752400000000, -0.0014912300000000, -0.0028406000000000 ] - [ -0.0007661500000000, 0.0000569300000000, -0.0000692700000000 ] - [ 0.0006718500000000, -0.0001114200000000, 0.0013758000000000 ] - [ 0.0028531500000000, 0.0031991700000000, 0.0022843900000000 ] - [ 0.0019764700000000, -0.0003953100000000, -0.0012822000000000 ] - [ 0.0004855500000000, -0.0006189900000000, -0.0012781900000000 ] - [ -0.0040010700000000, 0.0020113300000000, -0.0036776800000000 ] - [ 0.0045899300000000, -0.0003018300000000, -0.0030286100000000 ] - [ 0.0014884200000000, -0.0002700200000000, 0.0004899100000000 ] - [ -0.0044827800000000, -0.0028993200000000, -0.0019108000000000 ] - [ -0.0008617400000000, -0.0003276600000000, -0.0000180300000000 ] - [ -0.0003058100000000, -0.0006869900000000, 0.0004684000000000 ] - [ -0.0001980300000000, -0.0003917100000000, -0.0002201300000000 ] - [ -0.0014239200000000, 0.0000662100000000, 0.0007637400000000 ] - [ -0.0003377400000000, 0.0000512400000000, -0.0006858000000000 ] - [ -0.0008720000000000, 0.0000158200000000, 0.0002388400000000 ] - [ -0.0004338400000000, -0.0003339000000000, 0.0020840000000000 ] - [ -0.0010312200000000, -0.0009839000000000, -0.0005203700000000 ] - [ 0.0008918600000000, 0.0000912700000000, 0.0005164100000000 ] - [ -0.0015314700000000, 0.0001023800000000, 0.0006861100000000 ] - [ 0.0001518400000000, 0.0001398500000000, 0.0008889500000000 ] - [ -0.0005486300000000, -0.0000492200000000, -0.0013994000000000 ] - [ -0.0003821300000000, -0.0001579700000000, -0.0012253800000000 ] - [ -0.0006593900000000, -0.0002894500000000, -0.0020095700000000 ] - [ -0.0006916600000000, 0.0002860200000000, -0.0001680600000000 ] - [ -0.0011947000000000, 0.0005868300000000, -0.0018564300000000 ] - [ 0.0014309500000000, 0.0003062900000000, -0.0012272100000000 ] - [ 0.0000237700000000, -0.0006410800000000, -0.0005462900000000 ] - [ 0.0005733700000000, 0.0001546000000000, -0.0016201600000000 ] - [ -0.0008358100000000, -0.0001021800000000, 0.0002574800000000 ] - [ 0.0026303700000000, -0.0005896300000000, 0.0000194000000000 ] - [ -0.0011345500000000, -0.0003893200000000, -0.0002865000000000 ] - [ -0.0015704500000000, 0.0000813100000000, -0.0001240300000000 ] - [ 0.0003435100000000, 0.0003638300000000, -0.0008435800000000 ] - [ -0.0014478800000000, 0.0000146900000000, -0.0005909600000000 ] - [ 0.1562798900000000, 0.0958303700000000, 0.0403998800000000 ] - [ -0.0010624300000000, 0.0011036300000000, -0.0027995400000000 ] - [ -0.0039135600000000, 0.0037065700000000, -0.0108880200000000 ] - [ 0.0000471400000000, 0.0007464700000000, -0.0018019300000000 ] - [ -0.0010734800000000, -0.0004838700000000, -0.0005681100000000 ] - [ -0.0020168200000000, -0.0008297900000000, -0.0035483300000000 ] - [ 0.0045859600000000, -0.0003845900000000, 0.0036262500000000 ] - [ -0.0008789400000000, 0.0001991200000000, -0.0018320600000000 ] - [ -0.0000927800000000, 0.0003078100000000, -0.0006283800000000 ] - [ -0.0014904200000000, -0.0005720600000000, -0.0003130500000000 ] - [ -0.0007534700000000, 0.0002376900000000, -0.0013487500000000 ] - [ 0.0172769300000000, -0.0067826300000000, -0.0051855100000000 ] - [ 0.0092095900000000, -0.0022693400000000, 0.0025146300000000 ] - [ -0.0001580600000000, 0.0008906000000000, -0.0032016000000000 ] - [ -0.0009930500000000, -0.0008284700000000, -0.0026853000000000 ] - [ -0.0034457000000000, -0.0012861400000000, -0.0023909900000000 ] - [ 0.0004671200000000, 0.0004956800000000, 0.0011292100000000 ] - [ 0.0018551500000000, 0.0011077500000000, -0.0003507100000000 ] - [ -0.0005021200000000, 0.0005838900000000, 0.0010564000000000 ] - [ 0.0045092100000000, -0.0027478100000000, -0.0000700700000000 ] - [ 0.0003343300000000, -0.0003821400000000, 0.0004422200000000 ] - [ -0.0004455300000000, 0.0001573900000000, 0.0004879700000000 ] - [ 0.0007249600000000, -0.0001688500000000, -0.0000075000000000 ] - [ 0.0004364500000000, 0.0002327500000000, 0.0002892100000000 ] - [ -0.0035461600000000, 0.0017587500000000, -0.0022850600000000 ] - [ -0.0009155300000000, 0.0003946100000000, -0.0001058200000000 ] - [ -0.0037156200000000, -0.0018044000000000, 0.0053060900000000 ] - [ -0.0020101500000000, 0.0003744700000000, 0.0028914400000000 ] - [ 0.0008773000000000, 0.0001145400000000, -0.0001118600000000 ] - [ -0.0022571600000000, -0.0007347600000000, 0.0038304400000000 ] - [ -0.0012492800000000, -0.0003792500000000, -0.0001764600000000 ] - [ -0.0008027600000000, 0.0000006100000000, 0.0005819500000000 ] - [ -0.0010738600000000, 0.0000856200000000, -0.0000512400000000 ] - [ 0.0001625900000000, -0.0000053300000000, 0.0001806600000000 ] - [ 0.0029129100000000, 0.0012007700000000, 0.0000192100000000 ] - [ -0.0002750700000000, 0.0002710600000000, 0.0000522800000000 ] - [ -0.0013723500000000, -0.0000952000000000, -0.0004042700000000 ] - [ 0.0002740800000000, 0.0004178900000000, 0.0005163200000000 ] - [ 0.0005558800000000, -0.0002568900000000, -0.0001976600000000 ] - [ -0.0093999600000000, -0.0067570700000000, -0.0054164200000000 ] - [ 0.0017211900000000, 0.0000719500000000, 0.0008165600000000 ] - [ -0.0010886300000000, 0.0004283600000000, 0.0001075700000000 ] - [ -0.0012721900000000, -0.0000666900000000, 0.0000224100000000 ] - [ -0.0007063100000000, 0.0004313800000000, 0.0006959900000000 ] - [ 0.0006435300000000, 0.0002136200000000, 0.0004288400000000 ] - [ -0.0006308900000000, -0.0000447400000000, 0.0007619900000000 ]- atom: 67 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004672800000000, 0.0004209800000000, -0.0012066500000000 ] - [ -0.0011232600000000, -0.0000382400000000, -0.0009966400000000 ] - [ 0.0019621500000000, -0.0011166300000000, -0.0026962000000000 ] - [ -0.0010475400000000, -0.0000384700000000, 0.0001708200000000 ] - [ 0.0005557000000000, 0.0090187100000000, -0.0059444300000000 ] - [ -0.0000925800000000, 0.0003042200000000, 0.0001212700000000 ] - [ 0.0007850600000000, -0.0000013400000000, -0.0004988400000000 ] - [ -0.0001484000000000, -0.0000073100000000, -0.0001332300000000 ] - [ -0.0005596500000000, 0.0002394800000000, 0.0012450300000000 ] - [ -0.0004879800000000, 0.0004629400000000, 0.0023707900000000 ] - [ -0.0008412100000000, 0.0003631700000000, -0.0004355000000000 ] - [ 0.0092652600000000, 0.0083281100000000, 0.0009172600000000 ] - [ -0.0007347800000000, -0.0001863100000000, 0.0000714100000000 ] - [ 0.0002335000000000, 0.0003352500000000, 0.0014280300000000 ] - [ -0.0000089700000000, -0.0001088300000000, 0.0007656600000000 ] - [ 0.0006696500000000, 0.0001493000000000, -0.0007727300000000 ] - [ 0.0001294500000000, -0.0001170800000000, -0.0001878700000000 ] - [ 0.0000588700000000, 0.0002365200000000, 0.0000782600000000 ] - [ 0.0001654400000000, -0.0000083900000000, 0.0004149000000000 ] - [ -0.0004992800000000, -0.0001957600000000, -0.0001266200000000 ] - [ -0.0004151300000000, -0.0005853100000000, -0.0003435900000000 ] - [ -0.0009167300000000, 0.0000284600000000, -0.0004437300000000 ] - [ 0.0003009900000000, 0.0000858500000000, 0.0000605400000000 ] - [ 0.0012135700000000, -0.0000655100000000, 0.0005621400000000 ] - [ -0.0016837800000000, 0.0006199600000000, 0.0004972500000000 ] - [ -0.0011933800000000, -0.0007690400000000, -0.0022314500000000 ] - [ 0.0004580000000000, -0.0010410200000000, -0.0011557700000000 ] - [ -0.0001093200000000, 0.0006485200000000, -0.0001859000000000 ] - [ -0.0013116000000000, 0.0001761100000000, -0.0007122500000000 ] - [ 0.0738715700000000, 0.0665874400000000, 0.0131100000000000 ] - [ -0.0001532400000000, -0.0004946200000000, 0.0013097800000000 ] - [ 0.0022559800000000, 0.0025256700000000, 0.0012894800000000 ] - [ 0.0005739600000000, 0.0001657100000000, 0.0011583700000000 ] - [ 0.0001298500000000, 0.0000244200000000, 0.0001923600000000 ] - [ -0.0017231100000000, -0.0014575300000000, -0.0020779200000000 ] - [ -0.0010325500000000, -0.0006734300000000, -0.0000717800000000 ] - [ 0.0001713200000000, -0.0000731200000000, 0.0006158100000000 ] - [ 0.0014325200000000, -0.0027595900000000, 0.0010030800000000 ] - [ -0.0028246100000000, -0.0005684000000000, -0.0010621000000000 ] - [ -0.0011046800000000, -0.0002127200000000, -0.0001677300000000 ] - [ 0.0019819800000000, 0.0018776200000000, 0.0007328500000000 ] - [ 0.0001787100000000, -0.0004067500000000, 0.0002545100000000 ] - [ 0.0003369600000000, -0.0003008900000000, -0.0003878800000000 ] - [ 0.0003091400000000, -0.0001647600000000, 0.0003164600000000 ] - [ 0.0001898100000000, -0.0003293500000000, -0.0004229000000000 ] - [ 0.0002119400000000, 0.0001058600000000, 0.0003539900000000 ] - [ 0.0001880700000000, 0.0001085700000000, -0.0001867800000000 ] - [ 0.0003199600000000, -0.0006066900000000, -0.0009523900000000 ] - [ 0.0006179300000000, -0.0001206200000000, 0.0001007100000000 ] - [ 0.0002365800000000, -0.0002306800000000, -0.0004213500000000 ] - [ 0.0002550000000000, -0.0002819200000000, -0.0001382500000000 ] - [ 0.0002733100000000, 0.0000489500000000, -0.0003862100000000 ] - [ 0.0004400600000000, 0.0003929500000000, 0.0003662900000000 ] - [ 0.0004508300000000, 0.0003212300000000, -0.0004754000000000 ] - [ 0.0000923700000000, 0.0001172000000000, 0.0012690500000000 ] - [ 0.0005940600000000, -0.0002122900000000, 0.0002615900000000 ] - [ 0.0001287300000000, -0.0001631800000000, 0.0001831700000000 ] - [ -0.0010595900000000, 0.0001419100000000, 0.0013346500000000 ] - [ 0.0001918700000000, -0.0003801500000000, 0.0001444200000000 ] - [ 0.0002739500000000, 0.0001254300000000, 0.0003766000000000 ] - [ 0.0007351900000000, -0.0002844900000000, 0.0000603000000000 ] - [ -0.0019445500000000, 0.0003550200000000, 0.0000181800000000 ] - [ 0.0005133600000000, 0.0002826700000000, 0.0001423300000000 ] - [ -0.0000227200000000, 0.0001413200000000, 0.0002970600000000 ] - [ 0.0004953000000000, -0.0000938300000000, 0.0001131000000000 ] - [ 0.0002720700000000, -0.0006191900000000, 0.0002180600000000 ] - [ -0.0924323000000000, -0.1169233800000000, -0.0061164300000000 ] - [ 0.0000741300000000, 0.0003894900000000, 0.0008601900000000 ] - [ -0.0051993300000000, -0.0076460900000000, 0.0043469600000000 ] - [ 0.0002273200000000, 0.0001892400000000, 0.0001828500000000 ] - [ 0.0000255900000000, -0.0001405500000000, 0.0000239800000000 ] - [ -0.0009968900000000, -0.0001668500000000, -0.0008265400000000 ] - [ -0.0027446700000000, -0.0002582200000000, -0.0049138500000000 ] - [ 0.0001884200000000, 0.0002339300000000, -0.0000979000000000 ] - [ -0.0000938800000000, 0.0000220400000000, 0.0001316400000000 ] - [ 0.0002776100000000, 0.0001412900000000, -0.0000990700000000 ] - [ 0.0004748500000000, 0.0000742700000000, -0.0000002600000000 ] - [ -0.0000740500000000, 0.0136004100000000, 0.0052499900000000 ] - [ 0.0029330000000000, 0.0191005100000000, -0.0048775700000000 ] - [ -0.0004797900000000, 0.0005550900000000, 0.0015439600000000 ] - [ 0.0002330400000000, 0.0001670300000000, 0.0000983400000000 ] - [ 0.0009580800000000, 0.0002677800000000, 0.0009294000000000 ] - [ 0.0003054200000000, 0.0001414100000000, -0.0007251700000000 ] - [ -0.0002975700000000, -0.0004245500000000, -0.0011060800000000 ] - [ 0.0003527500000000, 0.0000633500000000, 0.0001860200000000 ] - [ -0.0008922500000000, 0.0017733400000000, 0.0015453800000000 ] - [ -0.0000129300000000, 0.0001877300000000, -0.0006362100000000 ] - [ -0.0000394200000000, 0.0001973200000000, 0.0004923900000000 ] - [ 0.0000383000000000, -0.0005448400000000, -0.0001149800000000 ] - [ 0.0005723900000000, 0.0000828700000000, -0.0006381700000000 ] - [ 0.0004125200000000, 0.0022792900000000, 0.0023445900000000 ] - [ 0.0001178700000000, 0.0000098900000000, 0.0003268500000000 ] - [ 0.0047177700000000, 0.0049302600000000, -0.0050477900000000 ] - [ 0.0011137400000000, 0.0001698000000000, -0.0014136300000000 ] - [ 0.0002506100000000, 0.0000297300000000, -0.0000817200000000 ] - [ 0.0009459000000000, -0.0009486500000000, -0.0014524100000000 ] - [ 0.0005417700000000, 0.0003601900000000, 0.0001751000000000 ] - [ 0.0001030500000000, 0.0004152900000000, -0.0002522200000000 ] - [ 0.0002688200000000, -0.0001104300000000, 0.0005144800000000 ] - [ 0.0002540300000000, 0.0003600200000000, -0.0004763500000000 ] - [ -0.0008805200000000, -0.0002879800000000, -0.0005246200000000 ] - [ 0.0001128900000000, 0.0000736800000000, -0.0001811200000000 ] - [ -0.0000699000000000, -0.0000081700000000, 0.0000855000000000 ] - [ 0.0000379400000000, 0.0002121100000000, -0.0011323100000000 ] - [ -0.0001817300000000, 0.0001990500000000, -0.0001715000000000 ] - [ 0.0056021700000000, 0.0015694400000000, 0.0045812400000000 ] - [ -0.0004930000000000, 0.0001513000000000, -0.0010498200000000 ] - [ 0.0001777700000000, 0.0001388000000000, 0.0002274600000000 ] - [ 0.0000079000000000, -0.0001067300000000, 0.0000948700000000 ] - [ 0.0007997400000000, -0.0003000500000000, -0.0004497800000000 ] - [ 0.0000704800000000, -0.0002458600000000, -0.0007755000000000 ] - [ 0.0006783100000000, 0.0000002900000000, 0.0001162500000000 ]- atom: 67 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004646400000000, 0.0004438400000000, 0.0011935900000000 ] - [ 0.0005888800000000, -0.0001043200000000, 0.0002866100000000 ] - [ -0.0021562700000000, 0.0017342900000000, 0.0014638600000000 ] - [ 0.0008037100000000, 0.0001051500000000, 0.0002533200000000 ] - [ -0.0004620400000000, -0.0094584000000000, 0.0060536000000000 ] - [ 0.0003248800000000, 0.0002958600000000, 0.0010989700000000 ] - [ -0.0002541300000000, -0.0001420500000000, 0.0011939900000000 ] - [ 0.0003805700000000, 0.0000740400000000, -0.0002891900000000 ] - [ 0.0005536400000000, 0.0006255900000000, -0.0012346700000000 ] - [ -0.0000375900000000, -0.0005996100000000, -0.0030465300000000 ] - [ 0.0005973500000000, 0.0002376100000000, -0.0007872000000000 ] - [ -0.0088421900000000, -0.0073672300000000, -0.0007695700000000 ] - [ 0.0007270500000000, -0.0002625500000000, -0.0000701100000000 ] - [ 0.0000032800000000, 0.0002654500000000, -0.0001954900000000 ] - [ 0.0005263300000000, -0.0000350700000000, -0.0000607800000000 ] - [ -0.0004373700000000, -0.0000794400000000, 0.0003449400000000 ] - [ 0.0003652600000000, -0.0002875000000000, 0.0002867700000000 ] - [ -0.0005427100000000, -0.0007056800000000, -0.0001781700000000 ] - [ 0.0003343800000000, -0.0003936900000000, -0.0003145400000000 ] - [ 0.0000016300000000, -0.0002777900000000, 0.0000304900000000 ] - [ 0.0002220300000000, -0.0005924700000000, 0.0010920600000000 ] - [ 0.0002860100000000, 0.0000193600000000, -0.0001278600000000 ] - [ 0.0003956500000000, 0.0001179700000000, 0.0009506200000000 ] - [ -0.0005831900000000, 0.0001128200000000, 0.0000115200000000 ] - [ 0.0005999100000000, 0.0005278400000000, -0.0004563600000000 ] - [ 0.0013546800000000, -0.0004213000000000, 0.0014426100000000 ] - [ 0.0002130900000000, 0.0005596400000000, 0.0010923900000000 ] - [ 0.0011724900000000, 0.0004986000000000, 0.0001496000000000 ] - [ 0.0006058700000000, 0.0000282800000000, -0.0003046200000000 ] - [ -0.0774344500000000, -0.0683964500000000, -0.0139728200000000 ] - [ -0.0000360800000000, -0.0006826900000000, -0.0005467800000000 ] - [ -0.0028548700000000, -0.0024665300000000, -0.0018657100000000 ] - [ 0.0001221800000000, 0.0000379700000000, -0.0001409900000000 ] - [ 0.0004887100000000, 0.0000229800000000, 0.0003762600000000 ] - [ 0.0006557400000000, 0.0025954300000000, 0.0020771800000000 ] - [ 0.0012124400000000, -0.0005050000000000, -0.0006824900000000 ] - [ 0.0004930600000000, -0.0003986900000000, -0.0006628400000000 ] - [ -0.0003112400000000, 0.0039115400000000, -0.0011143200000000 ] - [ 0.0021080400000000, 0.0007562800000000, 0.0000403900000000 ] - [ 0.0004317400000000, -0.0002609200000000, 0.0002205600000000 ] - [ -0.0022804200000000, -0.0017263900000000, -0.0008920200000000 ] - [ -0.0004186100000000, -0.0003802800000000, 0.0000597700000000 ] - [ -0.0001023200000000, -0.0004951800000000, 0.0000831500000000 ] - [ 0.0000957700000000, -0.0002716000000000, -0.0000007300000000 ] - [ -0.0006006700000000, -0.0000998600000000, 0.0000950300000000 ] - [ 0.0000980500000000, 0.0000491400000000, -0.0001981900000000 ] - [ -0.0004897400000000, 0.0000423800000000, 0.0000260000000000 ] - [ -0.0005473000000000, -0.0001778100000000, 0.0012584500000000 ] - [ -0.0003669900000000, -0.0006770700000000, -0.0003964500000000 ] - [ 0.0001669600000000, -0.0002047000000000, 0.0007518000000000 ] - [ -0.0006607700000000, -0.0001504800000000, -0.0001781800000000 ] - [ 0.0000304500000000, 0.0000996200000000, 0.0005409100000000 ] - [ 0.0000801100000000, 0.0001883000000000, -0.0004468400000000 ] - [ -0.0000084300000000, 0.0000804500000000, -0.0007297300000000 ] - [ -0.0000766800000000, 0.0003580900000000, -0.0002776000000000 ] - [ -0.0000967700000000, 0.0000689300000000, 0.0000636300000000 ] - [ -0.0002286100000000, 0.0001465600000000, -0.0007098100000000 ] - [ 0.0006135800000000, 0.0002585700000000, -0.0001259000000000 ] - [ 0.0001928200000000, -0.0004933700000000, -0.0001269200000000 ] - [ 0.0005293800000000, 0.0001217200000000, -0.0006565800000000 ] - [ -0.0001917200000000, -0.0001815400000000, 0.0001682400000000 ] - [ 0.0015484200000000, -0.0001217900000000, 0.0005183900000000 ] - [ -0.0003899800000000, -0.0000981700000000, -0.0001019100000000 ] - [ -0.0007790700000000, 0.0001056200000000, -0.0000100800000000 ] - [ 0.0004088100000000, 0.0000850900000000, -0.0000911200000000 ] - [ -0.0006523300000000, -0.0002565200000000, -0.0002327600000000 ] - [ 0.0946759400000000, 0.1177517900000000, 0.0073338200000000 ] - [ -0.0005959800000000, 0.0001828800000000, -0.0007622000000000 ] - [ 0.0049305900000000, 0.0075497200000000, -0.0036263100000000 ] - [ 0.0001743600000000, 0.0002628200000000, -0.0006018000000000 ] - [ -0.0005613200000000, -0.0003239900000000, -0.0002516700000000 ] - [ 0.0009543100000000, 0.0004441100000000, 0.0006566000000000 ] - [ 0.0018202500000000, 0.0002200300000000, 0.0048494600000000 ] - [ -0.0002045700000000, 0.0002348900000000, -0.0008788400000000 ] - [ -0.0000254900000000, 0.0001601100000000, -0.0001702400000000 ] - [ -0.0007653100000000, -0.0002803300000000, -0.0002250800000000 ] - [ -0.0000888000000000, 0.0001587800000000, -0.0005381000000000 ] - [ -0.0005358600000000, -0.0131858900000000, -0.0049058700000000 ] - [ -0.0037698800000000, -0.0194394300000000, 0.0052588400000000 ] - [ 0.0011625400000000, -0.0007027400000000, -0.0016956400000000 ] - [ 0.0001121800000000, -0.0002949500000000, -0.0007996800000000 ] - [ -0.0008423900000000, -0.0002742100000000, -0.0003836200000000 ] - [ 0.0002128700000000, 0.0004380000000000, 0.0006344600000000 ] - [ 0.0007325800000000, 0.0008193100000000, -0.0001054700000000 ] - [ -0.0003307900000000, 0.0004037200000000, 0.0007931000000000 ] - [ 0.0013942000000000, -0.0019633300000000, -0.0012134200000000 ] - [ -0.0000866300000000, -0.0002008600000000, 0.0001028900000000 ] - [ -0.0003972500000000, 0.0002022800000000, 0.0007124000000000 ] - [ 0.0003487000000000, -0.0003291000000000, 0.0001317300000000 ] - [ 0.0002353600000000, 0.0001635500000000, 0.0003490200000000 ] - [ 0.0001493200000000, -0.0027154900000000, -0.0020685400000000 ] - [ -0.0004956200000000, 0.0002223600000000, 0.0002156400000000 ] - [ -0.0045357600000000, -0.0046788700000000, 0.0050097800000000 ] - [ -0.0019035700000000, 0.0000776700000000, 0.0016832300000000 ] - [ 0.0006496000000000, -0.0000372000000000, 0.0001012100000000 ] - [ -0.0013295200000000, 0.0000626300000000, 0.0014277400000000 ] - [ -0.0005044300000000, -0.0000726700000000, -0.0000138900000000 ] - [ -0.0006176600000000, 0.0001658600000000, 0.0003353200000000 ] - [ -0.0006093100000000, -0.0000195400000000, 0.0001918200000000 ] - [ 0.0001484100000000, 0.0000945200000000, 0.0000511300000000 ] - [ 0.0003501300000000, -0.0001653500000000, 0.0003060600000000 ] - [ -0.0001435500000000, 0.0002109400000000, 0.0000193900000000 ] - [ -0.0008280800000000, -0.0000000600000000, -0.0001059000000000 ] - [ -0.0000564100000000, 0.0002555800000000, 0.0001450500000000 ] - [ 0.0000646400000000, -0.0000166200000000, 0.0001315000000000 ] - [ -0.0060380600000000, -0.0017219900000000, -0.0048464700000000 ] - [ 0.0008682000000000, 0.0000822500000000, 0.0005013100000000 ] - [ -0.0005753000000000, 0.0003132300000000, 0.0001937000000000 ] - [ -0.0007178700000000, -0.0000739100000000, 0.0000714000000000 ] - [ -0.0000801100000000, 0.0001169500000000, 0.0002787200000000 ] - [ 0.0002723500000000, 0.0001145300000000, 0.0000645300000000 ] - [ -0.0005720400000000, -0.0000148600000000, 0.0004140900000000 ]- atom: 67 displacement: [ -0.0057565208649526, 0.0000000000000000, 0.0081769473235044 ] forces: - [ -0.0003075800000000, 0.0004256500000000, 0.0007706100000000 ] - [ -0.0002518600000000, 0.0000384200000000, 0.0000580900000000 ] - [ -0.0048361700000000, 0.0015524100000000, 0.0003437900000000 ] - [ 0.0007904500000000, 0.0000862300000000, 0.0001941200000000 ] - [ -0.0057004900000000, -0.0020175600000000, 0.0120614600000000 ] - [ -0.0003366400000000, 0.0002186200000000, 0.0005765000000000 ] - [ -0.0012946500000000, -0.0002873300000000, 0.0001166200000000 ] - [ 0.0004208200000000, 0.0001157200000000, -0.0010196800000000 ] - [ 0.0012995700000000, 0.0005811600000000, -0.0018506600000000 ] - [ 0.0015387500000000, -0.0001053000000000, -0.0034326800000000 ] - [ 0.0007625600000000, 0.0002759600000000, -0.0010539300000000 ] - [ -0.0063348000000000, -0.0049481400000000, 0.0079831000000000 ] - [ 0.0008381900000000, -0.0002467600000000, -0.0002875000000000 ] - [ 0.0009984100000000, 0.0001408600000000, -0.0013216900000000 ] - [ 0.0008506800000000, 0.0000416800000000, -0.0008333600000000 ] - [ -0.0016998500000000, -0.0004592200000000, -0.0019585600000000 ] - [ 0.0002862900000000, -0.0003115600000000, 0.0002537700000000 ] - [ -0.0005275400000000, -0.0004263600000000, 0.0000130000000000 ] - [ 0.0004983500000000, -0.0003364100000000, -0.0003948700000000 ] - [ -0.0000364800000000, -0.0003583200000000, 0.0001036200000000 ] - [ -0.0007351100000000, -0.0004086400000000, 0.0005354300000000 ] - [ 0.0001477000000000, -0.0000471400000000, -0.0004194800000000 ] - [ 0.0000559500000000, 0.0000193700000000, 0.0005081500000000 ] - [ -0.0002899000000000, 0.0003972200000000, -0.0013799500000000 ] - [ 0.0010338300000000, 0.0005919600000000, -0.0004592600000000 ] - [ -0.0008065000000000, -0.0016189400000000, 0.0014678200000000 ] - [ -0.0010615400000000, 0.0004018200000000, 0.0001710600000000 ] - [ 0.0010469800000000, 0.0005134100000000, -0.0000778600000000 ] - [ 0.0004257400000000, 0.0000218300000000, 0.0000702200000000 ] - [ -0.0655486700000000, -0.0338100000000000, 0.0147900300000000 ] - [ 0.0009769300000000, -0.0007944900000000, -0.0012515900000000 ] - [ -0.0020263300000000, -0.0025683900000000, -0.0069256500000000 ] - [ 0.0007030800000000, 0.0000722000000000, -0.0013567800000000 ] - [ 0.0002335400000000, 0.0001635500000000, -0.0002875500000000 ] - [ -0.0012246500000000, 0.0012018400000000, 0.0038531000000000 ] - [ 0.0018382200000000, -0.0004126400000000, -0.0005804900000000 ] - [ 0.0009109600000000, -0.0004149500000000, -0.0011896000000000 ] - [ 0.0034246000000000, -0.0020568000000000, -0.0033888700000000 ] - [ 0.0048181700000000, -0.0009548900000000, -0.0001366600000000 ] - [ 0.0004129700000000, -0.0002486500000000, 0.0001330700000000 ] - [ -0.0022007200000000, -0.0019647500000000, -0.0021153700000000 ] - [ -0.0003418700000000, -0.0003655400000000, 0.0000722800000000 ] - [ -0.0004418400000000, -0.0005706200000000, 0.0000732700000000 ] - [ 0.0001925000000000, -0.0002343400000000, 0.0000982300000000 ] - [ -0.0005143700000000, -0.0000845700000000, -0.0002096100000000 ] - [ 0.0003558300000000, 0.0000225200000000, -0.0001307200000000 ] - [ -0.0005526900000000, 0.0000373300000000, 0.0000263400000000 ] - [ -0.0006408400000000, -0.0001638700000000, 0.0005468900000000 ] - [ -0.0000944000000000, -0.0004715100000000, -0.0004978700000000 ] - [ -0.0003989700000000, -0.0002615200000000, 0.0012653000000000 ] - [ -0.0005147300000000, -0.0000894700000000, -0.0008380100000000 ] - [ -0.0002575200000000, 0.0000964700000000, 0.0008258700000000 ] - [ 0.0004453800000000, 0.0002076400000000, -0.0002336600000000 ] - [ 0.0001209000000000, 0.0001426200000000, -0.0005487400000000 ] - [ 0.0006259000000000, 0.0000239900000000, -0.0003255100000000 ] - [ -0.0000240000000000, 0.0000870700000000, 0.0002229000000000 ] - [ 0.0005008800000000, 0.0000229400000000, -0.0002798000000000 ] - [ 0.0005670500000000, 0.0001443200000000, 0.0009498700000000 ] - [ 0.0003994900000000, -0.0004124000000000, 0.0002691600000000 ] - [ 0.0007446200000000, 0.0000553700000000, -0.0004067300000000 ] - [ -0.0003041000000000, -0.0001560400000000, 0.0001263800000000 ] - [ 0.0019978800000000, -0.0002174400000000, 0.0014362300000000 ] - [ -0.0002915500000000, -0.0000751900000000, -0.0001551500000000 ] - [ -0.0004635800000000, 0.0001041800000000, -0.0002730500000000 ] - [ 0.0006660200000000, -0.0002297600000000, 0.0005443300000000 ] - [ -0.0005380300000000, -0.0002727600000000, -0.0002584700000000 ] - [ 0.0561044500000000, 0.0484189400000000, -0.0289229400000000 ] - [ 0.0006041500000000, 0.0005075600000000, -0.0006602700000000 ] - [ 0.0093187000000000, 0.0063534400000000, -0.0030596100000000 ] - [ 0.0007677900000000, 0.0004313200000000, -0.0002092600000000 ] - [ -0.0004955400000000, -0.0002941900000000, -0.0000161500000000 ] - [ 0.0016649500000000, 0.0001884000000000, 0.0012763900000000 ] - [ 0.0006638700000000, -0.0013699200000000, 0.0066865400000000 ] - [ 0.0001970600000000, 0.0002992000000000, -0.0006558000000000 ] - [ 0.0000717000000000, 0.0001233700000000, 0.0001981100000000 ] - [ -0.0009177100000000, -0.0003378200000000, -0.0002453200000000 ] - [ 0.0002779800000000, 0.0001661500000000, -0.0001643100000000 ] - [ 0.0152131800000000, 0.0018172200000000, -0.0030190200000000 ] - [ 0.0019691900000000, -0.0057091200000000, -0.0007981200000000 ] - [ 0.0036513900000000, -0.0029372500000000, -0.0015307700000000 ] - [ 0.0006162300000000, -0.0000232100000000, -0.0001521100000000 ] - [ 0.0003830000000000, 0.0001587700000000, 0.0001849200000000 ] - [ -0.0002395800000000, 0.0005723100000000, 0.0010519700000000 ] - [ -0.0003304000000000, 0.0004079200000000, 0.0011004600000000 ] - [ -0.0005756700000000, 0.0004419200000000, 0.0009491400000000 ] - [ 0.0010180900000000, 0.0022148200000000, 0.0048041500000000 ] - [ -0.0006322200000000, -0.0002148300000000, 0.0002092800000000 ] - [ -0.0004716000000000, 0.0002003600000000, 0.0010374500000000 ] - [ 0.0002612200000000, -0.0003933100000000, 0.0006457800000000 ] - [ -0.0001893000000000, 0.0001114600000000, 0.0011377500000000 ] - [ -0.0017422400000000, -0.0003871500000000, -0.0049032600000000 ] - [ -0.0004201100000000, 0.0001991700000000, 0.0004567300000000 ] - [ -0.0037104000000000, -0.0011052900000000, 0.0031758100000000 ] - [ -0.0021975100000000, 0.0001790100000000, 0.0020082200000000 ] - [ 0.0005293700000000, -0.0004050500000000, 0.0006866200000000 ] - [ -0.0038316200000000, -0.0003149200000000, 0.0021514700000000 ] - [ -0.0005022800000000, -0.0000787200000000, 0.0000353500000000 ] - [ -0.0008348600000000, 0.0001245100000000, 0.0005102600000000 ] - [ -0.0006957000000000, -0.0000705500000000, 0.0002560600000000 ] - [ -0.0000603500000000, -0.0000426700000000, 0.0004539500000000 ] - [ 0.0002381500000000, 0.0000570900000000, 0.0010983300000000 ] - [ -0.0002725600000000, 0.0002997900000000, 0.0002105300000000 ] - [ -0.0007911900000000, 0.0000726200000000, 0.0000159300000000 ] - [ -0.0006563200000000, 0.0000373800000000, 0.0006532800000000 ] - [ -0.0001793500000000, 0.0000861900000000, 0.0006996900000000 ] - [ -0.0015846900000000, -0.0000360300000000, -0.0048177300000000 ] - [ 0.0004791900000000, 0.0001582300000000, 0.0011593100000000 ] - [ -0.0005818700000000, 0.0003335400000000, 0.0002742000000000 ] - [ -0.0007561900000000, -0.0001035200000000, 0.0001998700000000 ] - [ -0.0002197400000000, 0.0001464400000000, 0.0005222800000000 ] - [ -0.0001149600000000, 0.0003177400000000, 0.0004007600000000 ] - [ -0.0013569800000000, -0.0000034300000000, 0.0003228300000000 ]- atom: 67 displacement: [ 0.0057565208649526, 0.0000000000000000, -0.0081769473235044 ] forces: - [ 0.0003026800000000, 0.0004416100000000, -0.0007838600000000 ] - [ -0.0002821100000000, -0.0001811400000000, -0.0007694100000000 ] - [ 0.0046291000000000, -0.0009469500000000, -0.0016056500000000 ] - [ -0.0010344100000000, -0.0000199000000000, 0.0002292800000000 ] - [ 0.0058864500000000, 0.0014929300000000, -0.0118682900000000 ] - [ 0.0005668500000000, 0.0003802400000000, 0.0006427900000000 ] - [ 0.0018263200000000, 0.0001441100000000, 0.0005794400000000 ] - [ -0.0001861600000000, -0.0000493900000000, 0.0005988700000000 ] - [ -0.0013049000000000, 0.0002862800000000, 0.0018586900000000 ] - [ -0.0020671000000000, -0.0000406600000000, 0.0027464000000000 ] - [ -0.0010044700000000, 0.0003238500000000, -0.0001696700000000 ] - [ 0.0062885500000000, 0.0053507200000000, -0.0075892600000000 ] - [ -0.0008442000000000, -0.0002018200000000, 0.0002888500000000 ] - [ -0.0007632900000000, 0.0004594600000000, 0.0025550500000000 ] - [ -0.0003321400000000, -0.0001857300000000, 0.0015391300000000 ] - [ 0.0019328400000000, 0.0005270000000000, 0.0015261000000000 ] - [ 0.0002025000000000, -0.0000940400000000, -0.0001555700000000 ] - [ 0.0000533700000000, -0.0000423100000000, -0.0001112200000000 ] - [ -0.0000148900000000, -0.0000680900000000, 0.0004904900000000 ] - [ -0.0004549600000000, -0.0001177600000000, -0.0002017300000000 ] - [ 0.0005378900000000, -0.0007684700000000, 0.0002117400000000 ] - [ -0.0007783000000000, 0.0000947700000000, -0.0001525800000000 ] - [ 0.0006413400000000, 0.0001847800000000, 0.0005042900000000 ] - [ 0.0009234000000000, -0.0003512200000000, 0.0019564600000000 ] - [ -0.0021162000000000, 0.0005564200000000, 0.0005044600000000 ] - [ 0.0009666600000000, 0.0004300700000000, -0.0022476500000000 ] - [ 0.0017245200000000, -0.0008784700000000, -0.0002371200000000 ] - [ 0.0000182300000000, 0.0006335100000000, 0.0000379800000000 ] - [ -0.0011316900000000, 0.0001825000000000, -0.0010866200000000 ] - [ 0.0649305700000000, 0.0331764900000000, -0.0151244200000000 ] - [ -0.0011705900000000, -0.0003826100000000, 0.0020134900000000 ] - [ 0.0014309300000000, 0.0026341700000000, 0.0064072300000000 ] - [ -0.0000045900000000, 0.0001322800000000, 0.0023741300000000 ] - [ 0.0003863400000000, -0.0001155200000000, 0.0008546000000000 ] - [ 0.0001572900000000, -0.0000536100000000, -0.0038197700000000 ] - [ -0.0016545600000000, -0.0007658100000000, -0.0001738300000000 ] - [ -0.0002460500000000, -0.0000555000000000, 0.0011405800000000 ] - [ -0.0023480000000000, 0.0031780400000000, 0.0033669500000000 ] - [ -0.0055416000000000, 0.0011738500000000, -0.0008774100000000 ] - [ -0.0010841200000000, -0.0002229700000000, -0.0000792400000000 ] - [ 0.0019074800000000, 0.0021080800000000, 0.0019497300000000 ] - [ 0.0000946700000000, -0.0004189900000000, 0.0002409700000000 ] - [ 0.0006759400000000, -0.0002259400000000, -0.0003739400000000 ] - [ 0.0002061100000000, -0.0002052500000000, 0.0002138400000000 ] - [ 0.0001026200000000, -0.0003430500000000, -0.0001211900000000 ] - [ -0.0000443900000000, 0.0001330600000000, 0.0002778900000000 ] - [ 0.0002510000000000, 0.0001126500000000, -0.0001803600000000 ] - [ 0.0004075500000000, -0.0006253000000000, -0.0002469500000000 ] - [ 0.0003492800000000, -0.0003262700000000, 0.0002035400000000 ] - [ 0.0008057400000000, -0.0001714400000000, -0.0009481200000000 ] - [ 0.0001115100000000, -0.0003448500000000, 0.0005223400000000 ] - [ 0.0005583200000000, 0.0000497800000000, -0.0006733900000000 ] - [ 0.0000754500000000, 0.0003727400000000, 0.0001524900000000 ] - [ 0.0003190800000000, 0.0002586000000000, -0.0006546700000000 ] - [ -0.0006069000000000, 0.0004498000000000, 0.0013189400000000 ] - [ 0.0005203200000000, -0.0002303600000000, 0.0001017200000000 ] - [ -0.0006008000000000, -0.0000394100000000, -0.0002462000000000 ] - [ -0.0010156500000000, 0.0002555300000000, 0.0002598600000000 ] - [ -0.0000150900000000, -0.0004623100000000, -0.0002515000000000 ] - [ 0.0000583600000000, 0.0001917800000000, 0.0001262600000000 ] - [ 0.0008469400000000, -0.0003083300000000, 0.0001004300000000 ] - [ -0.0024002000000000, 0.0004551000000000, -0.0008980000000000 ] - [ 0.0004145300000000, 0.0002606800000000, 0.0001957200000000 ] - [ -0.0003379500000000, 0.0001429000000000, 0.0005603600000000 ] - [ 0.0002386600000000, 0.0002174700000000, -0.0005188700000000 ] - [ 0.0001568900000000, -0.0006038500000000, 0.0002436000000000 ] - [ -0.0565613900000000, -0.0482754000000000, 0.0293450600000000 ] - [ -0.0011187100000000, 0.0000680000000000, 0.0007586400000000 ] - [ -0.0096525100000000, -0.0064511000000000, 0.0037995800000000 ] - [ -0.0003627000000000, 0.0000219800000000, -0.0002099300000000 ] - [ -0.0000414800000000, -0.0001689200000000, -0.0002099300000000 ] - [ -0.0016998500000000, 0.0000961600000000, -0.0014351000000000 ] - [ -0.0015887000000000, 0.0014005000000000, -0.0067898700000000 ] - [ -0.0002122700000000, 0.0001708700000000, -0.0003226100000000 ] - [ -0.0001917200000000, 0.0000599600000000, -0.0002367900000000 ] - [ 0.0004285600000000, 0.0001979800000000, -0.0000786500000000 ] - [ 0.0001061000000000, 0.0000666100000000, -0.0003741900000000 ] - [ -0.0156049700000000, -0.0013868300000000, 0.0034424400000000 ] - [ -0.0026605600000000, 0.0054726200000000, 0.0009159500000000 ] - [ -0.0029399100000000, 0.0027545100000000, 0.0013780400000000 ] - [ -0.0002688200000000, -0.0001034900000000, -0.0005494000000000 ] - [ -0.0002671300000000, -0.0001661800000000, 0.0003588900000000 ] - [ 0.0007583200000000, 0.0000063600000000, -0.0011428300000000 ] - [ 0.0007668400000000, -0.0000104300000000, -0.0023129900000000 ] - [ 0.0005964000000000, 0.0000267200000000, 0.0000328700000000 ] - [ -0.0005153100000000, -0.0023221400000000, -0.0044359400000000 ] - [ 0.0005322300000000, 0.0002015800000000, -0.0007427500000000 ] - [ 0.0000358800000000, 0.0001990200000000, 0.0001677000000000 ] - [ 0.0001244300000000, -0.0004819600000000, -0.0006279700000000 ] - [ 0.0009955200000000, 0.0001348800000000, -0.0014259800000000 ] - [ 0.0022864000000000, -0.0000656800000000, 0.0051479300000000 ] - [ 0.0000437000000000, 0.0000328600000000, 0.0000873300000000 ] - [ 0.0038365700000000, 0.0012816600000000, -0.0031491700000000 ] - [ 0.0013992800000000, 0.0000659300000000, -0.0017313800000000 ] - [ 0.0003706700000000, 0.0003956600000000, -0.0006663200000000 ] - [ 0.0034800400000000, -0.0005583400000000, -0.0021918600000000 ] - [ 0.0005350400000000, 0.0003663400000000, 0.0001251100000000 ] - [ 0.0003192700000000, 0.0004557000000000, -0.0004252200000000 ] - [ 0.0003536600000000, -0.0000586900000000, 0.0004526100000000 ] - [ 0.0004633400000000, 0.0004975200000000, -0.0008801100000000 ] - [ -0.0007801000000000, -0.0005224200000000, -0.0013259500000000 ] - [ 0.0002445700000000, -0.0000142700000000, -0.0003711000000000 ] - [ -0.0001081300000000, -0.0000827400000000, -0.0000367300000000 ] - [ 0.0006389900000000, 0.0004325000000000, -0.0016416200000000 ] - [ 0.0000599700000000, 0.0000979100000000, -0.0007388300000000 ] - [ 0.0010929000000000, -0.0001061700000000, 0.0045061300000000 ] - [ -0.0001043300000000, 0.0000745300000000, -0.0017106900000000 ] - [ 0.0001822300000000, 0.0001191500000000, 0.0001487400000000 ] - [ 0.0000420800000000, -0.0000777400000000, -0.0000350900000000 ] - [ 0.0009414900000000, -0.0003299700000000, -0.0006911600000000 ] - [ 0.0004589700000000, -0.0004483900000000, -0.0011130000000000 ] - [ 0.0014641200000000, -0.0000105300000000, 0.0002079800000000 ]- atom: 69 displacement: [ 0.0099999987502926, 0.0000000000000000, -0.0000049994145799 ] forces: - [ 0.0003000900000000, -0.0013673400000000, -0.0054038900000000 ] - [ -0.0068036600000000, 0.0013229800000000, -0.0022035000000000 ] - [ 0.0151838700000000, -0.0004262000000000, 0.0035454300000000 ] - [ -0.0021645800000000, -0.0001187100000000, 0.0009479400000000 ] - [ -0.0013220600000000, 0.0009801200000000, -0.0044568800000000 ] - [ -0.0014046900000000, 0.0000411500000000, -0.0011433800000000 ] - [ 0.0061486200000000, 0.0003141800000000, -0.0008063400000000 ] - [ 0.0007680800000000, -0.0002818500000000, 0.0011452600000000 ] - [ -0.0012372400000000, 0.0003329300000000, 0.0006073800000000 ] - [ -0.0035923500000000, -0.0006443900000000, 0.0007627200000000 ] - [ -0.0017774800000000, 0.0004888100000000, -0.0006436100000000 ] - [ -0.0063834400000000, -0.0027734000000000, -0.0035529600000000 ] - [ -0.0008240000000000, -0.0000436400000000, 0.0007566500000000 ] - [ -0.0005770600000000, 0.0009707300000000, 0.0034004000000000 ] - [ -0.0011381000000000, -0.0001167900000000, -0.0001246800000000 ] - [ -0.0004327500000000, 0.0001183200000000, -0.0020287800000000 ] - [ 0.0001703000000000, -0.0000769600000000, -0.0003109900000000 ] - [ -0.0004199000000000, -0.0002831700000000, 0.0012251800000000 ] - [ 0.0004583200000000, -0.0003783900000000, 0.0004356500000000 ] - [ -0.0005246700000000, -0.0001496300000000, -0.0002347400000000 ] - [ -0.0005723500000000, -0.0002878400000000, -0.0026834700000000 ] - [ -0.0024210600000000, 0.0000248100000000, -0.0007487100000000 ] - [ 0.0017104100000000, 0.0003533300000000, -0.0005126100000000 ] - [ 0.0023721100000000, -0.0009991400000000, 0.0030665300000000 ] - [ -0.0027703800000000, 0.0014962600000000, 0.0028498100000000 ] - [ 0.0019561600000000, -0.0069323300000000, -0.0135774000000000 ] - [ -0.0012958000000000, -0.0005694800000000, -0.0024934000000000 ] - [ -0.0000424600000000, 0.0006058700000000, -0.0000991800000000 ] - [ -0.0025762600000000, 0.0001074300000000, 0.0017459100000000 ] - [ 0.0304231300000000, -0.0082355900000000, 0.0170192800000000 ] - [ -0.0005899900000000, -0.0006077800000000, 0.0012840400000000 ] - [ -0.0057585600000000, 0.0014024500000000, 0.0103066700000000 ] - [ 0.0001216600000000, -0.0000320400000000, 0.0001972700000000 ] - [ -0.0012433400000000, 0.0000616800000000, -0.0008067400000000 ] - [ -0.0020622200000000, -0.0001365700000000, -0.0016690400000000 ] - [ -0.0020050700000000, -0.0008718300000000, -0.0006131400000000 ] - [ 0.0010554000000000, 0.0001339700000000, 0.0021503600000000 ] - [ 0.0034894800000000, 0.0002966600000000, -0.0019301000000000 ] - [ -0.0027693900000000, 0.0004325500000000, -0.0007817300000000 ] - [ -0.0016274300000000, -0.0001148400000000, -0.0003222700000000 ] - [ -0.0017369800000000, -0.0034002800000000, -0.0024581800000000 ] - [ 0.0001862600000000, -0.0004082100000000, 0.0003015600000000 ] - [ -0.0000224800000000, -0.0002554500000000, -0.0007045700000000 ] - [ 0.0001211100000000, -0.0001753400000000, 0.0004850500000000 ] - [ 0.0021213100000000, -0.0002929900000000, -0.0034671400000000 ] - [ 0.0003738500000000, 0.0001292400000000, 0.0007994100000000 ] - [ 0.0003790600000000, 0.0000966400000000, -0.0000925600000000 ] - [ -0.0010107800000000, -0.0003636600000000, 0.0002400800000000 ] - [ 0.0005310600000000, -0.0002873500000000, 0.0001648600000000 ] - [ -0.0001419000000000, -0.0003205400000000, 0.0004401000000000 ] - [ 0.0004109700000000, -0.0004009400000000, 0.0000185800000000 ] - [ 0.0001126000000000, 0.0001173600000000, -0.0004303000000000 ] - [ 0.0010254800000000, 0.0006287100000000, 0.0016798000000000 ] - [ 0.0013602100000000, 0.0007793700000000, -0.0002281100000000 ] - [ -0.0043158700000000, 0.0049557700000000, 0.0034381700000000 ] - [ 0.0004290100000000, -0.0002327400000000, -0.0000079800000000 ] - [ -0.0008901400000000, -0.0007401800000000, 0.0014190700000000 ] - [ -0.0022164800000000, 0.0005128700000000, 0.0001821700000000 ] - [ -0.0007664200000000, -0.0005893300000000, -0.0002595200000000 ] - [ -0.0011360200000000, 0.0002639500000000, 0.0023128100000000 ] - [ 0.0008868100000000, -0.0002662200000000, -0.0008053400000000 ] - [ -0.0037582500000000, 0.0011655700000000, -0.0046388700000000 ] - [ 0.0013461200000000, 0.0003486200000000, -0.0005978400000000 ] - [ 0.0013182100000000, -0.0001619100000000, -0.0007526400000000 ] - [ 0.0011692000000000, -0.0003348500000000, 0.0008568900000000 ] - [ 0.0012280900000000, -0.0006145000000000, -0.0002322800000000 ] - [ 0.0037432200000000, -0.0049380100000000, 0.0143885300000000 ] - [ -0.0013728600000000, -0.0033484200000000, 0.0062758800000000 ] - [ -0.0526968400000000, 0.0243742200000000, -0.0379570600000000 ] - [ 0.0007182000000000, 0.0000515200000000, 0.0007916300000000 ] - [ -0.0001195600000000, -0.0000178100000000, -0.0001292200000000 ] - [ 0.0011410300000000, 0.0000833000000000, 0.0012750100000000 ] - [ 0.0060471200000000, 0.0031574900000000, -0.0049884200000000 ] - [ 0.0010417400000000, 0.0001658800000000, 0.0020014600000000 ] - [ -0.0010397800000000, 0.0001956300000000, -0.0000353700000000 ] - [ 0.0004251700000000, 0.0002680200000000, -0.0006565900000000 ] - [ 0.0019118300000000, -0.0000266100000000, 0.0011582100000000 ] - [ 0.0013297900000000, -0.0139655300000000, 0.0062853800000000 ] - [ -0.0024202200000000, 0.0000761200000000, 0.0024572300000000 ] - [ 0.0007512200000000, -0.0001266600000000, 0.0014129600000000 ] - [ 0.0010846900000000, 0.0004975700000000, 0.0013034800000000 ] - [ 0.0120391200000000, 0.0069827600000000, 0.0117248000000000 ] - [ 0.0006925300000000, 0.0002115800000000, -0.0006653800000000 ] - [ 0.0025331200000000, 0.0015271800000000, -0.0041680400000000 ] - [ 0.0008060200000000, -0.0000640400000000, 0.0003945400000000 ] - [ -0.0003145400000000, 0.0005522700000000, 0.0012594000000000 ] - [ 0.0006578800000000, 0.0001237200000000, -0.0002875300000000 ] - [ 0.0004908100000000, 0.0000512100000000, 0.0006606100000000 ] - [ 0.0005556400000000, -0.0003987400000000, 0.0003770000000000 ] - [ 0.0007849000000000, 0.0000171000000000, -0.0003057600000000 ] - [ 0.0015308600000000, -0.0003242600000000, 0.0013233500000000 ] - [ 0.0009920600000000, -0.0001307000000000, 0.0008423700000000 ] - [ 0.0019659000000000, 0.0007147300000000, 0.0000363000000000 ] - [ 0.0008075000000000, 0.0001650300000000, -0.0008389200000000 ] - [ -0.0002246200000000, 0.0006110000000000, -0.0011940200000000 ] - [ 0.0015183600000000, -0.0008232800000000, 0.0002124300000000 ] - [ 0.0009138800000000, 0.0005791300000000, 0.0000729600000000 ] - [ 0.0004752000000000, 0.0003961100000000, 0.0000100000000000 ] - [ 0.0007660800000000, -0.0001685800000000, 0.0007568500000000 ] - [ -0.0000498900000000, 0.0004952800000000, -0.0013378600000000 ] - [ -0.0007793600000000, -0.0003245000000000, 0.0007909500000000 ] - [ -0.0004814700000000, 0.0002410600000000, -0.0007601500000000 ] - [ 0.0006327700000000, -0.0000127900000000, 0.0001496000000000 ] - [ 0.0008222700000000, 0.0003904400000000, -0.0013057100000000 ] - [ 0.0001613100000000, 0.0000890700000000, 0.0003479500000000 ] - [ 0.0015963900000000, 0.0006228300000000, 0.0014921000000000 ] - [ -0.0001756300000000, -0.0003862200000000, -0.0024458000000000 ] - [ 0.0005745400000000, 0.0000625300000000, 0.0002230700000000 ] - [ 0.0002000500000000, -0.0001824600000000, -0.0000911400000000 ] - [ 0.0014277000000000, -0.0009683200000000, -0.0017040700000000 ] - [ 0.0000465700000000, -0.0007793500000000, -0.0017232600000000 ] - [ 0.0016639200000000, 0.0000935700000000, 0.0006080800000000 ]- atom: 69 displacement: [ -0.0099999987502926, 0.0000000000000000, 0.0000049994145799 ] forces: - [ -0.0003186500000000, 0.0022604600000000, 0.0054427400000000 ] - [ 0.0063501000000000, -0.0014842500000000, 0.0015126800000000 ] - [ -0.0154960400000000, 0.0009146800000000, -0.0047978900000000 ] - [ 0.0019402100000000, 0.0001868900000000, -0.0005315000000000 ] - [ 0.0013585700000000, -0.0014111300000000, 0.0044800100000000 ] - [ 0.0016546100000000, 0.0005609300000000, 0.0023838200000000 ] - [ -0.0056600500000000, -0.0004559500000000, 0.0015121500000000 ] - [ -0.0005400100000000, 0.0003513700000000, -0.0015730700000000 ] - [ 0.0012364100000000, 0.0005368700000000, -0.0006023800000000 ] - [ 0.0030539200000000, 0.0004938800000000, -0.0014744200000000 ] - [ 0.0015509000000000, 0.0001089400000000, -0.0005784700000000 ] - [ 0.0061914500000000, 0.0028190000000000, 0.0039360300000000 ] - [ 0.0008239700000000, -0.0004082700000000, -0.0007602600000000 ] - [ 0.0008029100000000, -0.0003677400000000, -0.0021647100000000 ] - [ 0.0016680100000000, -0.0000280300000000, 0.0008417600000000 ] - [ 0.0006853200000000, -0.0000521200000000, 0.0016279100000000 ] - [ 0.0003264000000000, -0.0003268900000000, 0.0004074400000000 ] - [ -0.0000792800000000, -0.0001891200000000, -0.0013321000000000 ] - [ 0.0000359200000000, -0.0000207800000000, -0.0003327000000000 ] - [ 0.0000324100000000, -0.0003227600000000, 0.0001417600000000 ] - [ 0.0003833700000000, -0.0008944000000000, 0.0034652100000000 ] - [ 0.0018134500000000, 0.0000242600000000, 0.0001828700000000 ] - [ -0.0010218400000000, -0.0001514800000000, 0.0015378100000000 ] - [ -0.0017339600000000, 0.0010473500000000, -0.0025026200000000 ] - [ 0.0017039700000000, -0.0003588500000000, -0.0028320800000000 ] - [ -0.0021061300000000, 0.0057616700000000, 0.0128787400000000 ] - [ 0.0019786200000000, 0.0000995900000000, 0.0024568600000000 ] - [ 0.0011155400000000, 0.0005412000000000, 0.0000624700000000 ] - [ 0.0018919000000000, 0.0000967300000000, -0.0027957800000000 ] - [ -0.0312394200000000, 0.0075974900000000, -0.0167952300000000 ] - [ 0.0003885400000000, -0.0005702600000000, -0.0005182700000000 ] - [ 0.0051460700000000, -0.0013830500000000, -0.0108200900000000 ] - [ 0.0005773600000000, 0.0002381900000000, 0.0008382200000000 ] - [ 0.0018830200000000, -0.0000136600000000, 0.0013894000000000 ] - [ 0.0010137100000000, 0.0012882200000000, 0.0017141300000000 ] - [ 0.0022040400000000, -0.0003064900000000, -0.0001415400000000 ] - [ -0.0004021000000000, -0.0006072700000000, -0.0022108900000000 ] - [ -0.0024666700000000, 0.0008235700000000, 0.0019666400000000 ] - [ 0.0020792700000000, -0.0002270700000000, -0.0002407400000000 ] - [ 0.0009691100000000, -0.0003580000000000, 0.0003792100000000 ] - [ 0.0014640400000000, 0.0035737300000000, 0.0023380700000000 ] - [ -0.0004355700000000, -0.0003770800000000, 0.0000143400000000 ] - [ 0.0002790800000000, -0.0005420200000000, 0.0004024900000000 ] - [ 0.0002801400000000, -0.0002631200000000, -0.0001744300000000 ] - [ -0.0025327600000000, -0.0001445100000000, 0.0031790600000000 ] - [ -0.0000636200000000, 0.0000255000000000, -0.0006553000000000 ] - [ -0.0006924800000000, 0.0000562500000000, -0.0000659300000000 ] - [ 0.0007891700000000, -0.0004320400000000, 0.0000509400000000 ] - [ -0.0002860000000000, -0.0005171400000000, -0.0004646000000000 ] - [ 0.0005517600000000, -0.0001160600000000, -0.0001392800000000 ] - [ -0.0008245600000000, -0.0000301200000000, -0.0003349500000000 ] - [ 0.0002049800000000, 0.0000366600000000, 0.0005768900000000 ] - [ -0.0005126100000000, -0.0000517600000000, -0.0017792600000000 ] - [ -0.0009339600000000, -0.0003853500000000, -0.0009798500000000 ] - [ 0.0044025900000000, -0.0045373500000000, -0.0024703400000000 ] - [ 0.0000623700000000, 0.0000926900000000, 0.0003326400000000 ] - [ 0.0007946600000000, 0.0007317600000000, -0.0019633600000000 ] - [ 0.0017635300000000, -0.0001230900000000, 0.0010590600000000 ] - [ 0.0011562300000000, -0.0002854700000000, 0.0002771700000000 ] - [ 0.0019525300000000, -0.0000176800000000, -0.0026182400000000 ] - [ -0.0003456400000000, -0.0001995700000000, 0.0010425100000000 ] - [ 0.0033462000000000, -0.0009280500000000, 0.0052125300000000 ] - [ -0.0012345500000000, -0.0001640200000000, 0.0006479200000000 ] - [ -0.0021420900000000, 0.0004138800000000, 0.0010532300000000 ] - [ -0.0002765300000000, 0.0003284300000000, -0.0008433200000000 ] - [ -0.0016227200000000, -0.0002623100000000, 0.0002229000000000 ] - [ -0.0036441200000000, 0.0051967200000000, -0.0140177600000000 ] - [ 0.0008557500000000, 0.0039630100000000, -0.0062560400000000 ] - [ 0.0530095800000000, -0.0240804800000000, 0.0384130100000000 ] - [ -0.0003231100000000, 0.0004035600000000, -0.0012221000000000 ] - [ -0.0004220400000000, -0.0004491200000000, -0.0000997400000000 ] - [ -0.0011848200000000, 0.0002045300000000, -0.0014444500000000 ] - [ -0.0068571800000000, -0.0030751000000000, 0.0049316100000000 ] - [ -0.0010687500000000, 0.0003049000000000, -0.0030091400000000 ] - [ 0.0009252000000000, -0.0000126500000000, -0.0000059900000000 ] - [ -0.0009165500000000, -0.0004091400000000, 0.0003382300000000 ] - [ -0.0015499200000000, 0.0002605100000000, -0.0017145900000000 ] - [ -0.0017941900000000, 0.0142900700000000, -0.0058033400000000 ] - [ 0.0016415200000000, -0.0001881100000000, -0.0023768100000000 ] - [ -0.0000446800000000, -0.0000564900000000, -0.0015897600000000 ] - [ -0.0007480000000000, -0.0006341800000000, -0.0020227400000000 ] - [ -0.0121520600000000, -0.0071239600000000, -0.0113802500000000 ] - [ -0.0001702500000000, 0.0003647900000000, 0.0005765900000000 ] - [ -0.0020751900000000, -0.0011051700000000, 0.0029386000000000 ] - [ -0.0007921700000000, 0.0005363400000000, 0.0005878200000000 ] - [ 0.0007986700000000, -0.0006825400000000, -0.0009520500000000 ] - [ -0.0007588100000000, -0.0001372800000000, -0.0002480300000000 ] - [ -0.0009339600000000, 0.0003497100000000, 0.0005413100000000 ] - [ -0.0001772800000000, -0.0004788200000000, -0.0003682600000000 ] - [ 0.0000218900000000, 0.0002313000000000, 0.0000090200000000 ] - [ -0.0010057000000000, -0.0001411800000000, -0.0010951600000000 ] - [ -0.0013811500000000, 0.0003651400000000, -0.0003064700000000 ] - [ -0.0018521900000000, -0.0005335900000000, 0.0000161200000000 ] - [ -0.0016154200000000, 0.0000835400000000, 0.0011311800000000 ] - [ 0.0011254900000000, -0.0006243200000000, 0.0012225500000000 ] - [ -0.0019045700000000, -0.0000508600000000, -0.0002195300000000 ] - [ -0.0008887700000000, -0.0002985000000000, 0.0000870600000000 ] - [ -0.0009979200000000, 0.0001815100000000, 0.0000742800000000 ] - [ -0.0011174500000000, 0.0000378700000000, -0.0000542900000000 ] - [ 0.0004558300000000, -0.0000395100000000, 0.0009174500000000 ] - [ 0.0002339300000000, -0.0001465900000000, -0.0010424500000000 ] - [ 0.0004570700000000, 0.0000402800000000, 0.0006037300000000 ] - [ -0.0015422400000000, 0.0000024000000000, -0.0001739000000000 ] - [ -0.0008341700000000, 0.0000827300000000, 0.0003170600000000 ] - [ -0.0002849700000000, 0.0000966100000000, -0.0003962800000000 ] - [ -0.0021047500000000, -0.0007669900000000, -0.0018224400000000 ] - [ 0.0005558500000000, 0.0006159600000000, 0.0018952000000000 ] - [ -0.0009819300000000, 0.0003931600000000, 0.0001985600000000 ] - [ -0.0009198000000000, 0.0000019300000000, 0.0002599400000000 ] - [ -0.0007155200000000, 0.0007925600000000, 0.0015446900000000 ] - [ 0.0003027000000000, 0.0006481900000000, 0.0010197500000000 ] - [ -0.0015629800000000, -0.0001086600000000, -0.0000762000000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0020717600000000, -0.0010365300000000, 0.0004971000000000 ] - [ 0.0002526300000000, 0.0000044000000000, -0.0002135600000000 ] - [ -0.0009328500000000, 0.0183773000000000, -0.0130386500000000 ] - [ 0.0000596000000000, 0.0000842700000000, 0.0003026800000000 ] - [ 0.0022199800000000, 0.0003382600000000, 0.0016244800000000 ] - [ 0.0008505900000000, 0.0003685500000000, 0.0010587300000000 ] - [ 0.0019803300000000, 0.0001969500000000, 0.0024443500000000 ] - [ -0.0000343900000000, -0.0000600900000000, 0.0010924200000000 ] - [ -0.0003618900000000, 0.0005271100000000, 0.0001539800000000 ] - [ -0.0021348100000000, -0.0002348600000000, -0.0011377000000000 ] - [ 0.0000281600000000, 0.0002538800000000, -0.0004118700000000 ] - [ 0.0020670600000000, -0.0021703800000000, -0.0039086700000000 ] - [ -0.0000881800000000, -0.0002562400000000, 0.0003396500000000 ] - [ -0.0015541500000000, 0.0000286600000000, 0.0011298900000000 ] - [ 0.0002419600000000, -0.0001508300000000, 0.0009561600000000 ] - [ 0.0009322700000000, 0.0000001700000000, 0.0011515500000000 ] - [ 0.0003553600000000, -0.0001920500000000, 0.0001868400000000 ] - [ 0.0002506900000000, -0.0008289100000000, -0.0014399300000000 ] - [ -0.0001299500000000, 0.0000978000000000, 0.0002408500000000 ] - [ -0.0001555500000000, -0.0002057000000000, -0.0000138100000000 ] - [ 0.0013483800000000, -0.0007690800000000, 0.0011161900000000 ] - [ 0.0000022900000000, 0.0000650600000000, -0.0000350200000000 ] - [ 0.0008216000000000, 0.0003352700000000, 0.0013971700000000 ] - [ -0.0030025000000000, 0.0003963800000000, 0.0025228700000000 ] - [ -0.0010423500000000, 0.0005998800000000, -0.0000518600000000 ] - [ 0.0043540700000000, 0.0053836500000000, -0.0044048000000000 ] - [ 0.0013728100000000, -0.0001221100000000, 0.0009602600000000 ] - [ 0.0007884200000000, 0.0005183000000000, 0.0004898700000000 ] - [ 0.0000920500000000, 0.0000645900000000, -0.0007867600000000 ] - [ -0.0126004600000000, 0.0577443600000000, -0.0694507900000000 ] - [ -0.0011657400000000, -0.0003741500000000, 0.0008629600000000 ] - [ -0.0050856500000000, 0.0050756400000000, -0.0009618500000000 ] - [ 0.0001771200000000, 0.0002003200000000, 0.0016130800000000 ] - [ 0.0007089200000000, -0.0000486700000000, 0.0007867000000000 ] - [ 0.0010129400000000, 0.0010130900000000, 0.0002182600000000 ] - [ 0.0000839800000000, -0.0006334500000000, -0.0004564500000000 ] - [ -0.0004338800000000, -0.0002530400000000, 0.0004739100000000 ] - [ -0.0029694700000000, -0.0009470800000000, 0.0043582000000000 ] - [ 0.0001153300000000, 0.0005149000000000, -0.0010813900000000 ] - [ -0.0000477400000000, -0.0002887900000000, 0.0002960400000000 ] - [ -0.0025743300000000, 0.0058121600000000, 0.0032538800000000 ] - [ -0.0002859600000000, -0.0003948500000000, 0.0000624500000000 ] - [ 0.0003812800000000, -0.0004965500000000, 0.0000314500000000 ] - [ 0.0000461100000000, -0.0002904600000000, -0.0001044100000000 ] - [ -0.0004672300000000, 0.0001852400000000, -0.0001717800000000 ] - [ -0.0001236800000000, 0.0000902900000000, -0.0000829000000000 ] - [ -0.0002371200000000, 0.0000719600000000, -0.0000726700000000 ] - [ 0.0017301900000000, -0.0007780000000000, -0.0013040000000000 ] - [ -0.0001515800000000, -0.0005081600000000, -0.0002032900000000 ] - [ 0.0007777400000000, -0.0001264800000000, -0.0006836400000000 ] - [ -0.0004778800000000, -0.0001704800000000, 0.0001552500000000 ] - [ 0.0006605500000000, 0.0000638000000000, -0.0003866600000000 ] - [ -0.0002610000000000, 0.0003140200000000, -0.0002360600000000 ] - [ 0.0000212600000000, 0.0001381000000000, -0.0007034300000000 ] - [ -0.0011711500000000, 0.0055092400000000, 0.0025835200000000 ] - [ 0.0000987000000000, -0.0000925800000000, -0.0001369200000000 ] - [ -0.0012648800000000, 0.0000403000000000, -0.0009218600000000 ] - [ 0.0039924500000000, 0.0019757800000000, -0.0069042500000000 ] - [ -0.0001260900000000, -0.0006295500000000, -0.0008126800000000 ] - [ 0.0000301100000000, 0.0003355600000000, -0.0007423400000000 ] - [ 0.0003290800000000, -0.0002667200000000, 0.0001953300000000 ] - [ 0.0027491300000000, -0.0023508500000000, -0.0029860700000000 ] - [ -0.0001561800000000, 0.0000030200000000, 0.0000220200000000 ] - [ -0.0009295200000000, 0.0000822800000000, 0.0005285900000000 ] - [ 0.0001593300000000, 0.0001573800000000, -0.0004104600000000 ] - [ -0.0003925000000000, -0.0003477500000000, -0.0000500200000000 ] - [ -0.0037511200000000, -0.0074390700000000, 0.0052178800000000 ] - [ -0.0072895900000000, -0.0000244500000000, -0.0038151900000000 ] - [ 0.0236004800000000, -0.1164925900000000, 0.0979835400000000 ] - [ -0.0001868800000000, 0.0002167500000000, -0.0005979800000000 ] - [ -0.0003995500000000, -0.0003085500000000, -0.0005857300000000 ] - [ -0.0007823600000000, 0.0003752300000000, -0.0006684600000000 ] - [ 0.0076547000000000, 0.0017631600000000, 0.0006471800000000 ] - [ -0.0005868000000000, 0.0001805600000000, -0.0005652900000000 ] - [ -0.0001210600000000, 0.0001782000000000, -0.0006776300000000 ] - [ -0.0000987400000000, -0.0000186600000000, -0.0001685800000000 ] - [ -0.0001946500000000, 0.0000775600000000, -0.0005622900000000 ] - [ -0.0094949800000000, 0.0228401500000000, -0.0037966200000000 ] - [ -0.0039555800000000, 0.0048367500000000, -0.0054456800000000 ] - [ -0.0003721500000000, -0.0001141900000000, -0.0005580900000000 ] - [ -0.0003963400000000, -0.0002884100000000, -0.0010212200000000 ] - [ -0.0001132800000000, 0.0010677100000000, 0.0017363000000000 ] - [ 0.0007330400000000, 0.0001599300000000, -0.0002109300000000 ] - [ 0.0012292300000000, -0.0003232200000000, -0.0004632100000000 ] - [ 0.0000578800000000, 0.0002656100000000, 0.0004258500000000 ] - [ -0.0000037600000000, 0.0003986200000000, -0.0009942700000000 ] - [ 0.0003778100000000, -0.0000772600000000, -0.0002974900000000 ] - [ -0.0002843000000000, 0.0002267000000000, 0.0004005600000000 ] - [ 0.0000713400000000, -0.0004745700000000, -0.0003805400000000 ] - [ 0.0006449400000000, 0.0001834900000000, -0.0007265500000000 ] - [ -0.0006848900000000, -0.0002871600000000, 0.0002250900000000 ] - [ -0.0003919500000000, 0.0001580300000000, 0.0000456300000000 ] - [ -0.0005476800000000, -0.0002045600000000, 0.0011284100000000 ] - [ -0.0004186200000000, 0.0002118000000000, 0.0004798400000000 ] - [ 0.0014136900000000, 0.0008542100000000, -0.0013301000000000 ] - [ 0.0002484300000000, -0.0005794100000000, 0.0010508700000000 ] - [ -0.0001350500000000, 0.0000985000000000, -0.0000342300000000 ] - [ -0.0002388600000000, 0.0002932400000000, -0.0000525400000000 ] - [ -0.0002752800000000, 0.0000149100000000, 0.0001901700000000 ] - [ 0.0006909000000000, 0.0003677900000000, -0.0007059400000000 ] - [ -0.0002864400000000, -0.0005058900000000, -0.0015387600000000 ] - [ 0.0002648900000000, -0.0000374700000000, -0.0003537600000000 ] - [ -0.0005958700000000, -0.0000550000000000, -0.0001339200000000 ] - [ 0.0004880100000000, 0.0004805000000000, -0.0007092100000000 ] - [ -0.0000505000000000, 0.0001094000000000, -0.0005033400000000 ] - [ -0.0015952000000000, -0.0004571300000000, -0.0009015500000000 ] - [ 0.0017007800000000, 0.0005091600000000, 0.0000820700000000 ] - [ -0.0003076900000000, 0.0002175500000000, 0.0000971200000000 ] - [ -0.0003382700000000, -0.0000090900000000, -0.0001846400000000 ] - [ 0.0006094600000000, -0.0001062900000000, -0.0003919500000000 ] - [ 0.0008898900000000, -0.0001543400000000, -0.0005140900000000 ] - [ 0.0004163200000000, -0.0000717500000000, 0.0003791400000000 ]- atom: 69 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0020319800000000, 0.0018838600000000, -0.0005041900000000 ] - [ -0.0007919900000000, -0.0001415300000000, -0.0004942400000000 ] - [ 0.0007626600000000, -0.0164640100000000, 0.0109793600000000 ] - [ -0.0002975200000000, -0.0000168400000000, 0.0001265500000000 ] - [ -0.0021987400000000, -0.0007837500000000, -0.0016088900000000 ] - [ -0.0006107300000000, 0.0002310600000000, 0.0001653400000000 ] - [ -0.0014383800000000, -0.0003496000000000, -0.0017197000000000 ] - [ 0.0002670800000000, 0.0001252500000000, -0.0015002900000000 ] - [ 0.0003561700000000, 0.0003394300000000, -0.0001505200000000 ] - [ 0.0015955200000000, 0.0000932700000000, 0.0004329700000000 ] - [ -0.0002665000000000, 0.0003460300000000, -0.0008096000000000 ] - [ -0.0023070800000000, 0.0022492500000000, 0.0042681500000000 ] - [ 0.0000845400000000, -0.0001931100000000, -0.0003339100000000 ] - [ 0.0017720300000000, 0.0005662500000000, 0.0000988800000000 ] - [ 0.0002775300000000, 0.0000056700000000, -0.0002478500000000 ] - [ -0.0006920400000000, 0.0000677900000000, -0.0015688600000000 ] - [ 0.0001422600000000, -0.0002127200000000, -0.0000904100000000 ] - [ -0.0007346300000000, 0.0003433700000000, 0.0013197300000000 ] - [ 0.0006245600000000, -0.0005005200000000, -0.0001434000000000 ] - [ -0.0003426400000000, -0.0002675200000000, -0.0000861800000000 ] - [ -0.0015228300000000, -0.0004088900000000, -0.0003592000000000 ] - [ -0.0006277800000000, -0.0000164500000000, -0.0005338000000000 ] - [ -0.0001186300000000, -0.0001275400000000, -0.0003711600000000 ] - [ 0.0035782500000000, -0.0003360900000000, -0.0019205600000000 ] - [ -0.0000412100000000, 0.0005509200000000, 0.0000948100000000 ] - [ -0.0042321700000000, -0.0065854300000000, 0.0034898500000000 ] - [ -0.0006998400000000, -0.0003515500000000, -0.0010110300000000 ] - [ 0.0002834900000000, 0.0006274500000000, -0.0005189500000000 ] - [ -0.0007873200000000, 0.0001385900000000, -0.0002255900000000 ] - [ 0.0127293900000000, -0.0590995200000000, 0.0718785500000000 ] - [ 0.0009629500000000, -0.0008006000000000, -0.0001000800000000 ] - [ 0.0044785800000000, -0.0049934200000000, 0.0003363400000000 ] - [ 0.0005165800000000, 0.0000039000000000, -0.0005878900000000 ] - [ -0.0000857200000000, 0.0000961300000000, -0.0002144300000000 ] - [ -0.0020740600000000, 0.0001334800000000, -0.0001872700000000 ] - [ 0.0001044500000000, -0.0005444300000000, -0.0003016400000000 ] - [ 0.0010918200000000, -0.0002194800000000, -0.0005203500000000 ] - [ 0.0040096600000000, 0.0020825500000000, -0.0043611000000000 ] - [ -0.0008146200000000, -0.0003090000000000, 0.0000592000000000 ] - [ -0.0006165200000000, -0.0001848300000000, -0.0002379600000000 ] - [ 0.0021974500000000, -0.0056230600000000, -0.0033317100000000 ] - [ 0.0000305400000000, -0.0003953200000000, 0.0002437400000000 ] - [ -0.0001300500000000, -0.0003014800000000, -0.0003304200000000 ] - [ 0.0003505200000000, -0.0001483400000000, 0.0004122700000000 ] - [ 0.0000669700000000, -0.0006132900000000, -0.0001564900000000 ] - [ 0.0004310800000000, 0.0000633400000000, 0.0002288400000000 ] - [ -0.0000694500000000, 0.0000788700000000, -0.0000782400000000 ] - [ -0.0019718000000000, -0.0000122600000000, 0.0016077200000000 ] - [ 0.0004052200000000, -0.0002863900000000, -0.0000987100000000 ] - [ -0.0003724800000000, -0.0003094400000000, 0.0009911600000000 ] - [ 0.0000753300000000, -0.0002643900000000, -0.0004653200000000 ] - [ -0.0003477900000000, 0.0000873200000000, 0.0005308700000000 ] - [ 0.0007742200000000, 0.0002645100000000, 0.0001520400000000 ] - [ 0.0004181900000000, 0.0002627200000000, -0.0005020600000000 ] - [ 0.0010790300000000, -0.0049555600000000, -0.0016246000000000 ] - [ 0.0003926500000000, -0.0000485600000000, 0.0004564000000000 ] - [ 0.0011441100000000, -0.0000550000000000, 0.0003838500000000 ] - [ -0.0043609400000000, -0.0015352800000000, 0.0079842200000000 ] - [ 0.0005066700000000, -0.0002469600000000, 0.0008181400000000 ] - [ 0.0007677800000000, -0.0000862000000000, 0.0004522100000000 ] - [ 0.0002121200000000, -0.0002016600000000, 0.0000349400000000 ] - [ -0.0031034400000000, 0.0025306500000000, 0.0035231700000000 ] - [ 0.0002753600000000, 0.0001793200000000, 0.0000158100000000 ] - [ 0.0001214600000000, 0.0001628800000000, -0.0002384100000000 ] - [ 0.0007425500000000, -0.0001660500000000, 0.0004298900000000 ] - [ 0.0000083800000000, -0.0005254900000000, 0.0000319900000000 ] - [ 0.0037815100000000, 0.0077541900000000, -0.0051372600000000 ] - [ 0.0066784000000000, 0.0005673000000000, 0.0038492300000000 ] - [ -0.0249648500000000, 0.1160104000000000, -0.0987029300000000 ] - [ 0.0005867400000000, 0.0002359900000000, 0.0001742100000000 ] - [ -0.0001398600000000, -0.0001594500000000, 0.0003494200000000 ] - [ 0.0007451800000000, -0.0000892900000000, 0.0005035900000000 ] - [ -0.0084724800000000, -0.0018025800000000, -0.0006662400000000 ] - [ 0.0005651200000000, 0.0002880000000000, -0.0004088400000000 ] - [ 0.0000019000000000, 0.0000063800000000, 0.0006303400000000 ] - [ -0.0003894600000000, -0.0001200400000000, -0.0001561200000000 ] - [ 0.0005766200000000, 0.0001547600000000, 0.0000219900000000 ] - [ 0.0093860800000000, -0.0226006400000000, 0.0044960500000000 ] - [ 0.0032092200000000, -0.0049886800000000, 0.0055895900000000 ] - [ 0.0010797900000000, -0.0000636200000000, 0.0003915500000000 ] - [ 0.0007369800000000, 0.0001584400000000, 0.0003112200000000 ] - [ 0.0002579900000000, -0.0010400500000000, -0.0011312300000000 ] - [ -0.0002096500000000, 0.0004179900000000, 0.0001221500000000 ] - [ -0.0007848900000000, 0.0007109600000000, -0.0007373700000000 ] - [ -0.0000377500000000, 0.0002032800000000, 0.0005563100000000 ] - [ 0.0004962200000000, -0.0005377000000000, 0.0013086600000000 ] - [ -0.0004739500000000, 0.0000621500000000, -0.0002341800000000 ] - [ -0.0001536300000000, 0.0001727700000000, 0.0008039700000000 ] - [ 0.0003147600000000, -0.0003994800000000, 0.0003948000000000 ] - [ 0.0001636800000000, 0.0000639000000000, 0.0004345200000000 ] - [ 0.0012164800000000, -0.0001773100000000, 0.0000137300000000 ] - [ 0.0000118100000000, 0.0000747700000000, 0.0004956300000000 ] - [ 0.0006698200000000, 0.0003896100000000, -0.0010850000000000 ] - [ -0.0003838400000000, 0.0000362700000000, -0.0001932100000000 ] - [ -0.0004971100000000, -0.0008503700000000, 0.0013309200000000 ] - [ -0.0006281600000000, -0.0002991500000000, -0.0010627700000000 ] - [ 0.0001651200000000, 0.0001870000000000, 0.0001930300000000 ] - [ -0.0002778200000000, 0.0002864500000000, 0.0001381300000000 ] - [ -0.0000695800000000, -0.0001433600000000, 0.0005157300000000 ] - [ -0.0002827600000000, 0.0000873300000000, 0.0002766100000000 ] - [ -0.0002515100000000, 0.0000372300000000, 0.0012994400000000 ] - [ -0.0002918700000000, 0.0003205100000000, 0.0001898700000000 ] - [ -0.0003062000000000, 0.0000452600000000, 0.0001119700000000 ] - [ -0.0005018600000000, -0.0000090100000000, -0.0002760900000000 ] - [ -0.0000669500000000, 0.0000737100000000, 0.0004602200000000 ] - [ 0.0010951800000000, 0.0003091800000000, 0.0005875200000000 ] - [ -0.0013002400000000, -0.0002712900000000, -0.0006179400000000 ] - [ -0.0000939700000000, 0.0002351100000000, 0.0003236500000000 ] - [ -0.0003761800000000, -0.0001715700000000, 0.0003472100000000 ] - [ 0.0001139500000000, -0.0000779300000000, 0.0002181800000000 ] - [ -0.0005368500000000, 0.0000233300000000, -0.0001959100000000 ] - [ -0.0003093200000000, 0.0000569500000000, 0.0001536800000000 ]- atom: 69 displacement: [ -0.0057565208649526, 0.0000000000000000, 0.0081769473235044 ] forces: - [ -0.0035046100000000, 0.0010388700000000, 0.0004397800000000 ] - [ -0.0001818900000000, -0.0002275300000000, 0.0003202200000000 ] - [ -0.0051509600000000, -0.0081568500000000, 0.0088956200000000 ] - [ 0.0005541000000000, 0.0000387800000000, 0.0000085300000000 ] - [ -0.0041581500000000, -0.0013836500000000, -0.0021082300000000 ] - [ -0.0009100100000000, 0.0002385600000000, 0.0003311100000000 ] - [ -0.0039331600000000, -0.0008689600000000, -0.0042265200000000 ] - [ 0.0004132200000000, 0.0001899800000000, -0.0027386400000000 ] - [ 0.0011877800000000, 0.0003081500000000, -0.0006731800000000 ] - [ 0.0039902000000000, 0.0006771000000000, 0.0005832400000000 ] - [ 0.0002623100000000, 0.0003083500000000, -0.0009143700000000 ] - [ -0.0024230700000000, 0.0009043500000000, 0.0092805000000000 ] - [ 0.0007169400000000, -0.0002303500000000, -0.0008482800000000 ] - [ 0.0031070200000000, -0.0000084900000000, -0.0021503800000000 ] - [ 0.0007485900000000, 0.0000958500000000, -0.0006507900000000 ] - [ -0.0013175300000000, 0.0000578700000000, -0.0021091800000000 ] - [ 0.0001185700000000, -0.0002571100000000, -0.0000702200000000 ] - [ 0.0001172100000000, -0.0000312300000000, 0.0000578900000000 ] - [ 0.0007138100000000, -0.0005103700000000, -0.0005283800000000 ] - [ -0.0002886000000000, -0.0003344900000000, -0.0000305900000000 ] - [ -0.0023260200000000, -0.0002830500000000, -0.0002538000000000 ] - [ -0.0001631100000000, -0.0000345100000000, -0.0003818100000000 ] - [ -0.0006718700000000, -0.0001634700000000, -0.0007552500000000 ] - [ 0.0023229000000000, 0.0018980900000000, -0.0031754600000000 ] - [ 0.0015531200000000, 0.0004081100000000, -0.0009837200000000 ] - [ -0.0183073700000000, -0.0038151100000000, 0.0092560100000000 ] - [ -0.0011324900000000, -0.0002885500000000, -0.0010542800000000 ] - [ 0.0005239200000000, 0.0006430800000000, -0.0008538700000000 ] - [ 0.0002546200000000, 0.0000742500000000, 0.0002624800000000 ] - [ 0.0011603900000000, -0.0483138100000000, 0.1006609800000000 ] - [ 0.0019355700000000, -0.0008463400000000, -0.0011019700000000 ] - [ 0.0141037700000000, -0.0014650200000000, -0.0051287200000000 ] - [ 0.0006665900000000, -0.0000539600000000, -0.0014811100000000 ] - [ -0.0000237700000000, 0.0001168500000000, -0.0002709400000000 ] - [ -0.0025708600000000, 0.0003008800000000, 0.0005982900000000 ] - [ 0.0010203200000000, -0.0004059400000000, -0.0001755200000000 ] - [ 0.0014257800000000, -0.0003647100000000, -0.0019072900000000 ] - [ 0.0046534400000000, 0.0029302500000000, -0.0071574200000000 ] - [ 0.0003505100000000, -0.0005208400000000, 0.0009061900000000 ] - [ -0.0002200700000000, -0.0001889600000000, -0.0002164100000000 ] - [ -0.0021678000000000, 0.0024064600000000, -0.0026504400000000 ] - [ -0.0000134800000000, -0.0003727300000000, 0.0002537200000000 ] - [ -0.0005648800000000, -0.0004969000000000, 0.0000736000000000 ] - [ 0.0003904300000000, -0.0001340600000000, 0.0005428600000000 ] - [ -0.0008223800000000, 0.0000552200000000, 0.0000618800000000 ] - [ 0.0005632800000000, 0.0000503800000000, 0.0001707400000000 ] - [ -0.0002386600000000, 0.0000660100000000, -0.0000711900000000 ] - [ -0.0019798100000000, 0.0002260800000000, 0.0017216800000000 ] - [ 0.0004427300000000, -0.0002449700000000, -0.0001828400000000 ] - [ -0.0006644200000000, -0.0003184200000000, 0.0017098200000000 ] - [ 0.0000113800000000, -0.0002295700000000, -0.0008192600000000 ] - [ -0.0006297300000000, 0.0000618700000000, 0.0010769200000000 ] - [ 0.0010894900000000, 0.0004529200000000, -0.0000094200000000 ] - [ 0.0003125500000000, 0.0001796400000000, -0.0006416100000000 ] - [ 0.0088093000000000, -0.0003997400000000, 0.0010359100000000 ] - [ 0.0003013600000000, 0.0000719400000000, 0.0006802100000000 ] - [ 0.0022746200000000, -0.0001915400000000, 0.0006432600000000 ] - [ -0.0017352200000000, 0.0001179300000000, 0.0046673600000000 ] - [ 0.0007642600000000, -0.0001472900000000, 0.0011973900000000 ] - [ 0.0011953900000000, -0.0001260000000000, 0.0002614000000000 ] - [ -0.0003364000000000, -0.0001125400000000, 0.0002691600000000 ] - [ -0.0042170400000000, -0.0013285500000000, 0.0099623300000000 ] - [ -0.0001443800000000, 0.0000221100000000, -0.0001608900000000 ] - [ -0.0000080200000000, 0.0002291700000000, -0.0008679800000000 ] - [ 0.0008173200000000, -0.0001906700000000, 0.0005239800000000 ] - [ -0.0004325500000000, -0.0003569500000000, -0.0002419800000000 ] - [ 0.0070466400000000, 0.0063505200000000, -0.0051025900000000 ] - [ 0.0081828400000000, -0.0000228300000000, 0.0014718400000000 ] - [ -0.0016216300000000, 0.0668810000000000, -0.1074102400000000 ] - [ 0.0007809700000000, 0.0003076800000000, 0.0001707800000000 ] - [ -0.0002162600000000, -0.0001842700000000, 0.0006719400000000 ] - [ 0.0012218000000000, -0.0001895500000000, 0.0006796900000000 ] - [ -0.0088417900000000, -0.0047304800000000, -0.0013202400000000 ] - [ 0.0008388400000000, 0.0003447700000000, -0.0008075200000000 ] - [ 0.0002710100000000, -0.0001200900000000, 0.0012663000000000 ] - [ -0.0009411200000000, -0.0003602400000000, -0.0000860700000000 ] - [ 0.0004689800000000, 0.0002019500000000, -0.0001579600000000 ] - [ 0.0007291600000000, 0.0015746300000000, -0.0171542100000000 ] - [ 0.0065999700000000, -0.0079223800000000, 0.0074233000000000 ] - [ 0.0017544400000000, -0.0002882100000000, 0.0001244300000000 ] - [ 0.0010061400000000, 0.0001535300000000, 0.0004077600000000 ] - [ -0.0008510900000000, -0.0019221400000000, -0.0031337800000000 ] - [ -0.0007059200000000, 0.0005652100000000, 0.0005941300000000 ] - [ -0.0032503500000000, -0.0012947900000000, 0.0020165500000000 ] - [ -0.0003877400000000, 0.0003016000000000, 0.0006746500000000 ] - [ 0.0010068700000000, -0.0009205700000000, 0.0018699900000000 ] - [ -0.0010655100000000, 0.0000102400000000, -0.0001071600000000 ] - [ -0.0003085800000000, 0.0001894800000000, 0.0009253900000000 ] - [ 0.0003437600000000, -0.0003674200000000, 0.0006323800000000 ] - [ -0.0001724000000000, 0.0000628200000000, 0.0010288000000000 ] - [ 0.0015333100000000, -0.0003856300000000, -0.0008347100000000 ] - [ -0.0002357800000000, 0.0001383400000000, 0.0004508100000000 ] - [ -0.0002865300000000, 0.0004373900000000, -0.0018514500000000 ] - [ -0.0010487500000000, -0.0000789000000000, 0.0000637100000000 ] - [ -0.0002157200000000, -0.0013294400000000, 0.0018513400000000 ] - [ -0.0015517400000000, -0.0003386600000000, -0.0017526800000000 ] - [ -0.0001712400000000, 0.0000232500000000, 0.0002173600000000 ] - [ -0.0005980800000000, 0.0002370600000000, 0.0002562000000000 ] - [ -0.0003809000000000, -0.0001397200000000, 0.0004286800000000 ] - [ -0.0005044700000000, -0.0001693100000000, 0.0011079900000000 ] - [ 0.0001410100000000, 0.0002352400000000, 0.0019936000000000 ] - [ -0.0003849200000000, 0.0004278500000000, 0.0006170200000000 ] - [ -0.0006140700000000, 0.0000470500000000, 0.0000417600000000 ] - [ -0.0014001900000000, -0.0002927700000000, 0.0004410600000000 ] - [ -0.0001086200000000, 0.0000539100000000, 0.0007606200000000 ] - [ 0.0013719400000000, 0.0007849200000000, -0.0005127900000000 ] - [ -0.0014080400000000, 0.0000781000000000, 0.0005486700000000 ] - [ -0.0003510700000000, 0.0003121700000000, 0.0003567700000000 ] - [ -0.0007096500000000, -0.0002149900000000, 0.0005883200000000 ] - [ -0.0004928400000000, 0.0002563200000000, 0.0010626100000000 ] - [ -0.0008730400000000, 0.0004715800000000, 0.0006502400000000 ] - [ -0.0012341800000000, 0.0000599100000000, -0.0000243800000000 ]- atom: 69 displacement: [ 0.0057565208649526, 0.0000000000000000, -0.0081769473235044 ] forces: - [ 0.0035144900000000, -0.0001826500000000, -0.0004654700000000 ] - [ -0.0003696800000000, 0.0000903300000000, -0.0010354600000000 ] - [ 0.0049422700000000, 0.0091620000000000, -0.0102791300000000 ] - [ -0.0008010200000000, 0.0000279500000000, 0.0004211400000000 ] - [ 0.0041567100000000, 0.0009283100000000, 0.0021023400000000 ] - [ 0.0011409500000000, 0.0003595700000000, 0.0008872800000000 ] - [ 0.0045011400000000, 0.0007361200000000, 0.0049383600000000 ] - [ -0.0001766900000000, -0.0001241700000000, 0.0023295300000000 ] - [ -0.0011982500000000, 0.0005613800000000, 0.0006771600000000 ] - [ -0.0045443000000000, -0.0008284000000000, -0.0012915600000000 ] - [ -0.0005068600000000, 0.0002915000000000, -0.0003097500000000 ] - [ 0.0022088000000000, -0.0008372000000000, -0.0088755100000000 ] - [ -0.0007238200000000, -0.0002200500000000, 0.0008552800000000 ] - [ -0.0028875100000000, 0.0006144300000000, 0.0034028000000000 ] - [ -0.0002357400000000, -0.0002404000000000, 0.0013560600000000 ] - [ 0.0015505700000000, 0.0000108200000000, 0.0016793100000000 ] - [ 0.0003767900000000, -0.0001466800000000, 0.0001667700000000 ] - [ -0.0006129300000000, -0.0004453600000000, -0.0001487800000000 ] - [ -0.0002169700000000, 0.0001064600000000, 0.0006325100000000 ] - [ -0.0002081900000000, -0.0001406300000000, -0.0000704000000000 ] - [ 0.0021365300000000, -0.0008941800000000, 0.0009979900000000 ] - [ -0.0004715000000000, 0.0000829300000000, -0.0001904600000000 ] - [ 0.0013779300000000, 0.0003689500000000, 0.0017710000000000 ] - [ -0.0016908400000000, -0.0018755800000000, 0.0037665500000000 ] - [ -0.0026462100000000, 0.0007454700000000, 0.0010405100000000 ] - [ 0.0183911900000000, 0.0025712200000000, -0.0102034300000000 ] - [ 0.0017956000000000, -0.0001852000000000, 0.0009908200000000 ] - [ 0.0005464300000000, 0.0005044500000000, 0.0008183300000000 ] - [ -0.0009633800000000, 0.0001301600000000, -0.0012727100000000 ] - [ -0.0006086100000000, 0.0463242700000000, -0.0987557200000000 ] - [ -0.0021381200000000, -0.0003312000000000, 0.0018665800000000 ] - [ -0.0148157300000000, 0.0014662600000000, 0.0046246400000000 ] - [ 0.0000278900000000, 0.0002580500000000, 0.0025003900000000 ] - [ 0.0006407900000000, -0.0000688000000000, 0.0008379300000000 ] - [ 0.0014985000000000, 0.0008470800000000, -0.0005666300000000 ] - [ -0.0008393900000000, -0.0007738900000000, -0.0005826300000000 ] - [ -0.0007612400000000, -0.0001046200000000, 0.0018685100000000 ] - [ -0.0035711800000000, -0.0017760600000000, 0.0071061400000000 ] - [ -0.0010579800000000, 0.0007276700000000, -0.0019290800000000 ] - [ -0.0004508700000000, -0.0002821800000000, 0.0002719000000000 ] - [ 0.0018492200000000, -0.0022543500000000, 0.0024734800000000 ] - [ -0.0002472600000000, -0.0004197300000000, 0.0000549400000000 ] - [ 0.0008220100000000, -0.0003035000000000, -0.0003792700000000 ] - [ 0.0000049100000000, -0.0003063200000000, -0.0002327000000000 ] - [ 0.0004367800000000, -0.0004911300000000, -0.0003990400000000 ] - [ -0.0002500100000000, 0.0001071500000000, -0.0000208000000000 ] - [ -0.0000730800000000, 0.0000916400000000, -0.0000781500000000 ] - [ 0.0017351900000000, -0.0010131100000000, -0.0014234000000000 ] - [ -0.0001815300000000, -0.0005501300000000, -0.0001205600000000 ] - [ 0.0010631100000000, -0.0001210800000000, -0.0013972300000000 ] - [ -0.0004084100000000, -0.0002095200000000, 0.0005120000000000 ] - [ 0.0009457900000000, 0.0000952900000000, -0.0009347600000000 ] - [ -0.0005690800000000, 0.0001256100000000, -0.0000691600000000 ] - [ 0.0001280400000000, 0.0002225800000000, -0.0005604300000000 ] - [ -0.0088330500000000, 0.0008786500000000, -0.0000413400000000 ] - [ 0.0001898700000000, -0.0002132100000000, -0.0003586600000000 ] - [ -0.0023877200000000, 0.0001754400000000, -0.0011702100000000 ] - [ 0.0012809100000000, 0.0002714700000000, -0.0034540100000000 ] - [ -0.0003873500000000, -0.0007304100000000, -0.0011858100000000 ] - [ -0.0003995300000000, 0.0003743600000000, -0.0005405500000000 ] - [ 0.0008862600000000, -0.0003538100000000, -0.0000454400000000 ] - [ 0.0038535100000000, 0.0016068700000000, -0.0095858600000000 ] - [ 0.0002723500000000, 0.0001647600000000, 0.0001995800000000 ] - [ -0.0007929000000000, 0.0000162200000000, 0.0011577500000000 ] - [ 0.0000862600000000, 0.0001774800000000, -0.0004969800000000 ] - [ 0.0000566200000000, -0.0005215300000000, 0.0002265500000000 ] - [ -0.0069861600000000, -0.0060034100000000, 0.0052342200000000 ] - [ -0.0087634500000000, 0.0006166300000000, -0.0013907300000000 ] - [ 0.0000991100000000, -0.0659866800000000, 0.1067959300000000 ] - [ -0.0003779500000000, 0.0001465600000000, -0.0005889100000000 ] - [ -0.0003272800000000, -0.0002799900000000, -0.0009022100000000 ] - [ -0.0012516000000000, 0.0004722000000000, -0.0008368500000000 ] - [ 0.0080173000000000, 0.0047868700000000, 0.0013163500000000 ] - [ -0.0008537800000000, 0.0001268000000000, -0.0001650400000000 ] - [ -0.0003987000000000, 0.0003061100000000, -0.0013112400000000 ] - [ 0.0004567400000000, 0.0002235500000000, -0.0002405400000000 ] - [ -0.0000841400000000, 0.0000294000000000, -0.0003778100000000 ] - [ -0.0011591100000000, -0.0011024800000000, 0.0174581300000000 ] - [ -0.0072762900000000, 0.0076923500000000, -0.0072101100000000 ] - [ -0.0010369300000000, 0.0001098500000000, -0.0002867600000000 ] - [ -0.0006585800000000, -0.0002840600000000, -0.0011066300000000 ] - [ 0.0010002400000000, 0.0019412300000000, 0.0037258600000000 ] - [ 0.0012309200000000, 0.0000111700000000, -0.0006850500000000 ] - [ 0.0037235000000000, 0.0017270600000000, -0.0032618800000000 ] - [ 0.0004086800000000, 0.0001689200000000, 0.0003098500000000 ] - [ -0.0005166100000000, 0.0007783400000000, -0.0015430800000000 ] - [ 0.0009695000000000, -0.0000226900000000, -0.0004263400000000 ] - [ -0.0001243700000000, 0.0002091800000000, 0.0002784600000000 ] - [ 0.0000416700000000, -0.0005089500000000, -0.0006158900000000 ] - [ 0.0009816300000000, 0.0001835900000000, -0.0013213800000000 ] - [ -0.0009898200000000, -0.0000790700000000, 0.0010683500000000 ] - [ -0.0001366600000000, 0.0000925800000000, 0.0000939200000000 ] - [ 0.0004151500000000, -0.0002525600000000, 0.0019025400000000 ] - [ 0.0002491800000000, 0.0003268500000000, 0.0002239800000000 ] - [ 0.0011142400000000, 0.0013270700000000, -0.0018384100000000 ] - [ 0.0011766500000000, -0.0005368600000000, 0.0017470100000000 ] - [ 0.0002056400000000, 0.0002618400000000, -0.0000586700000000 ] - [ 0.0000823100000000, 0.0003406400000000, -0.0001691800000000 ] - [ 0.0000391000000000, 0.0000073200000000, 0.0002773100000000 ] - [ 0.0009075800000000, 0.0006276200000000, -0.0015395600000000 ] - [ -0.0006866800000000, -0.0007000500000000, -0.0022185800000000 ] - [ 0.0003538600000000, -0.0001456200000000, -0.0007813300000000 ] - [ -0.0002820600000000, -0.0000593100000000, -0.0000653000000000 ] - [ 0.0013932200000000, 0.0007670000000000, -0.0014327500000000 ] - [ -0.0000111000000000, 0.0001309300000000, -0.0008006600000000 ] - [ -0.0018623000000000, -0.0009264200000000, 0.0001906900000000 ] - [ 0.0017880900000000, 0.0001488500000000, -0.0011050600000000 ] - [ -0.0000471600000000, 0.0001416600000000, 0.0000638800000000 ] - [ -0.0000059700000000, 0.0000339300000000, -0.0004230100000000 ] - [ 0.0012212700000000, -0.0004431400000000, -0.0012429700000000 ] - [ 0.0012217300000000, -0.0006103000000000, -0.0013648300000000 ] - [ 0.0013488300000000, -0.0000723100000000, 0.0005612400000000 ]- atom: 70 displacement: [ 0.0099999987502926, 0.0000000000000000, -0.0000049994145799 ] forces: - [ -0.0013269400000000, 0.0006193000000000, -0.0026871400000000 ] - [ 0.0013054900000000, -0.0003348000000000, -0.0023934600000000 ] - [ -0.0007954800000000, 0.0003773300000000, -0.0016494300000000 ] - [ -0.0002638700000000, 0.0001528700000000, 0.0005406700000000 ] - [ 0.0026727200000000, -0.0002196300000000, -0.0016201100000000 ] - [ 0.0218414200000000, -0.0095918700000000, 0.0085146600000000 ] - [ -0.0017356000000000, -0.0001970800000000, -0.0009125700000000 ] - [ -0.0015497800000000, 0.0001750200000000, -0.0002188500000000 ] - [ -0.0010222000000000, 0.0006652100000000, 0.0016388600000000 ] - [ -0.0009152800000000, -0.0000305900000000, -0.0000324300000000 ] - [ -0.0001446300000000, -0.0001237900000000, 0.0016388600000000 ] - [ 0.0005525800000000, -0.0000797700000000, -0.0007944600000000 ] - [ -0.0011380700000000, -0.0003103800000000, 0.0002381900000000 ] - [ -0.0011516800000000, 0.0001743600000000, 0.0007297300000000 ] - [ -0.0010296600000000, -0.0006226300000000, 0.0039649800000000 ] - [ 0.0179051500000000, 0.0051964800000000, 0.0017543200000000 ] - [ -0.0002834800000000, -0.0005975900000000, 0.0007839900000000 ] - [ -0.0003987400000000, -0.0003400600000000, -0.0003836000000000 ] - [ -0.0000930300000000, -0.0003166600000000, -0.0001517700000000 ] - [ -0.0003351400000000, -0.0005642400000000, 0.0007409400000000 ] - [ -0.0046367700000000, -0.0004156800000000, -0.0025778900000000 ] - [ 0.0025344800000000, 0.0003835400000000, 0.0005448300000000 ] - [ -0.0015997100000000, 0.0000132700000000, 0.0003685700000000 ] - [ -0.0009080500000000, 0.0000356700000000, -0.0001282600000000 ] - [ -0.0014556900000000, 0.0004711100000000, -0.0002483500000000 ] - [ -0.0007838300000000, -0.0006907100000000, -0.0018911800000000 ] - [ 0.0753478700000000, 0.0592873300000000, -0.0496639500000000 ] - [ -0.0014887300000000, 0.0004131800000000, 0.0011591200000000 ] - [ -0.0001791500000000, 0.0000680500000000, -0.0013389100000000 ] - [ -0.0011770700000000, 0.0001949800000000, -0.0019150400000000 ] - [ -0.0020482800000000, -0.0004064500000000, 0.0005931400000000 ] - [ -0.0008571700000000, -0.0000082900000000, -0.0007389200000000 ] - [ -0.0038040000000000, 0.0014920500000000, 0.0000320900000000 ] - [ 0.0070068100000000, 0.0028364800000000, 0.0052085400000000 ] - [ 0.0039837900000000, 0.0004433600000000, -0.0007893500000000 ] - [ 0.0000109300000000, -0.0006466300000000, 0.0011323700000000 ] - [ -0.0009406400000000, -0.0003067800000000, -0.0004597800000000 ] - [ -0.0015384200000000, 0.0021779400000000, -0.0029675800000000 ] - [ 0.0000491900000000, 0.0001258400000000, 0.0000795500000000 ] - [ -0.0003725100000000, -0.0005698000000000, 0.0015062800000000 ] - [ 0.0000334700000000, 0.0000479400000000, 0.0003872700000000 ] - [ 0.0003218700000000, -0.0006268000000000, -0.0004505800000000 ] - [ 0.0005248100000000, -0.0003590400000000, 0.0000103600000000 ] - [ 0.0011858900000000, 0.0000960100000000, -0.0005187200000000 ] - [ -0.0000675600000000, -0.0002967200000000, 0.0000985500000000 ] - [ 0.0065586000000000, -0.0001556300000000, -0.0011480500000000 ] - [ 0.0000450800000000, 0.0001073200000000, -0.0010026500000000 ] - [ 0.0003701200000000, -0.0005197600000000, 0.0005184500000000 ] - [ 0.0014666200000000, -0.0005024000000000, -0.0027971300000000 ] - [ 0.0009607700000000, -0.0000338800000000, 0.0004131900000000 ] - [ -0.0006250000000000, 0.0000062200000000, -0.0002166000000000 ] - [ 0.0007114900000000, 0.0000396500000000, -0.0000184500000000 ] - [ 0.0016265600000000, 0.0001037100000000, 0.0018737400000000 ] - [ -0.0026459800000000, 0.0008569200000000, 0.0016142900000000 ] - [ 0.0005157000000000, 0.0002353200000000, 0.0013143000000000 ] - [ 0.0011062900000000, -0.0004234500000000, 0.0001827700000000 ] - [ 0.0022015600000000, -0.0006212100000000, 0.0011794400000000 ] - [ 0.0002887100000000, -0.0000515600000000, 0.0008832600000000 ] - [ 0.0011064700000000, -0.0000970000000000, 0.0003951300000000 ] - [ 0.0012762300000000, 0.0000877100000000, -0.0000196600000000 ] - [ 0.0006750600000000, -0.0004048400000000, 0.0003149700000000 ] - [ 0.0005151200000000, 0.0001715100000000, 0.0009071700000000 ] - [ -0.0002093300000000, 0.0002310500000000, 0.0003130800000000 ] - [ -0.0007796000000000, 0.0001152500000000, 0.0013348900000000 ] - [ -0.0023735800000000, 0.0077599800000000, -0.0076783200000000 ] - [ -0.0004119100000000, -0.0005302800000000, 0.0001779000000000 ] - [ 0.0001703800000000, 0.0001694400000000, 0.0008763300000000 ] - [ 0.0002199200000000, 0.0000375300000000, 0.0009092700000000 ] - [ 0.0003477000000000, -0.0004514300000000, 0.0014244100000000 ] - [ -0.1063958200000000, -0.0704402600000000, 0.0271772900000000 ] - [ 0.0005231000000000, -0.0001749500000000, -0.0003581900000000 ] - [ -0.0174033200000000, -0.0000776800000000, 0.0065380800000000 ] - [ -0.0002478700000000, 0.0001544300000000, 0.0003521300000000 ] - [ 0.0010172400000000, 0.0004803800000000, 0.0016642900000000 ] - [ 0.0008371400000000, -0.0002790000000000, 0.0001530500000000 ] - [ 0.0002304200000000, 0.0001442500000000, -0.0000614900000000 ] - [ -0.0061966900000000, -0.0032614500000000, -0.0002694400000000 ] - [ -0.0000717400000000, 0.0004281000000000, 0.0009452100000000 ] - [ -0.0010302200000000, -0.0008109500000000, 0.0019639600000000 ] - [ -0.0066248000000000, -0.0006493600000000, 0.0067764200000000 ] - [ 0.0017164900000000, 0.0094307300000000, 0.0018989200000000 ] - [ 0.0004867500000000, 0.0003733800000000, 0.0013225700000000 ] - [ 0.0008853100000000, 0.0001244000000000, -0.0003612400000000 ] - [ 0.0005824900000000, 0.0002377100000000, -0.0006731300000000 ] - [ 0.0004227800000000, 0.0002409000000000, -0.0006440400000000 ] - [ 0.0028332600000000, 0.0011410100000000, 0.0067525300000000 ] - [ 0.0012006000000000, -0.0000449800000000, -0.0003238800000000 ] - [ 0.0004038800000000, -0.0005006200000000, -0.0022064800000000 ] - [ 0.0015149800000000, 0.0004255700000000, -0.0018364400000000 ] - [ 0.0023221000000000, -0.0000217800000000, -0.0022844300000000 ] - [ -0.0008834900000000, -0.0002692600000000, 0.0009378500000000 ] - [ -0.0013618400000000, 0.0006404100000000, -0.0018210500000000 ] - [ -0.0000798500000000, -0.0000259300000000, 0.0000307700000000 ] - [ -0.0001318900000000, 0.0002104900000000, -0.0004376400000000 ] - [ 0.0011761000000000, -0.0000280600000000, 0.0002341000000000 ] - [ -0.0003074900000000, -0.0003241500000000, -0.0000773800000000 ] - [ 0.0000552900000000, 0.0001944800000000, -0.0002122800000000 ] - [ -0.0000857600000000, 0.0004716800000000, -0.0009914100000000 ] - [ -0.0004258200000000, 0.0004211200000000, -0.0006894600000000 ] - [ 0.0008530600000000, 0.0003634600000000, -0.0001340400000000 ] - [ 0.0011256000000000, -0.0010878300000000, 0.0023718300000000 ] - [ 0.0008686500000000, -0.0002334900000000, 0.0000774200000000 ] - [ -0.0011234800000000, -0.0001217400000000, -0.0002762200000000 ] - [ 0.0006101300000000, 0.0005115400000000, -0.0008392200000000 ] - [ 0.0067436700000000, -0.0015560500000000, -0.0022369500000000 ] - [ -0.0015301000000000, -0.0003545300000000, 0.0000901600000000 ] - [ 0.0008527200000000, 0.0003028300000000, -0.0000189700000000 ] - [ -0.0002495000000000, -0.0000328300000000, -0.0004473600000000 ] - [ 0.0003995600000000, 0.0003645500000000, -0.0007370100000000 ] - [ 0.0009388500000000, -0.0000380000000000, -0.0000598600000000 ] - [ 0.0009487900000000, 0.0000412400000000, 0.0000104600000000 ] - [ 0.0002484500000000, -0.0002913400000000, -0.0001847000000000 ]- atom: 70 displacement: [ -0.0099999987502926, 0.0000000000000000, 0.0000049994145799 ] forces: - [ 0.0013312500000000, 0.0002501200000000, 0.0026931500000000 ] - [ -0.0018292900000000, 0.0001914400000000, 0.0016966900000000 ] - [ 0.0005601500000000, 0.0002222800000000, 0.0004286900000000 ] - [ 0.0000322600000000, -0.0000856100000000, -0.0001154700000000 ] - [ -0.0027226700000000, -0.0002248800000000, 0.0016201300000000 ] - [ -0.0215038800000000, 0.0099084300000000, -0.0069184500000000 ] - [ 0.0022635000000000, 0.0000539400000000, 0.0016191800000000 ] - [ 0.0017903600000000, -0.0001078700000000, -0.0002030200000000 ] - [ 0.0010285300000000, 0.0002002500000000, -0.0016557300000000 ] - [ 0.0003944100000000, -0.0001139200000000, -0.0006800900000000 ] - [ -0.0000911800000000, 0.0007231700000000, -0.0028710600000000 ] - [ -0.0008020000000000, 0.0001471800000000, 0.0012164100000000 ] - [ 0.0011443300000000, -0.0001386100000000, -0.0002369400000000 ] - [ 0.0013926600000000, 0.0004255700000000, 0.0004918900000000 ] - [ 0.0015518100000000, 0.0004878600000000, -0.0032993500000000 ] - [ -0.0185148800000000, -0.0058065100000000, -0.0025817400000000 ] - [ 0.0007576200000000, 0.0001879400000000, -0.0006678900000000 ] - [ -0.0000896100000000, -0.0001344500000000, 0.0002949700000000 ] - [ 0.0005879600000000, -0.0000875800000000, 0.0002520600000000 ] - [ -0.0001552800000000, 0.0000901200000000, -0.0008392000000000 ] - [ 0.0044683600000000, -0.0007882600000000, 0.0033283000000000 ] - [ -0.0031687700000000, -0.0003370000000000, -0.0011138800000000 ] - [ 0.0022930500000000, 0.0001918200000000, 0.0006469000000000 ] - [ 0.0015347500000000, 0.0000128800000000, 0.0006974300000000 ] - [ 0.0003886900000000, 0.0006766700000000, 0.0002889200000000 ] - [ 0.0009801500000000, -0.0004868400000000, 0.0011413500000000 ] - [ -0.0744292900000000, -0.0582125900000000, 0.0482747000000000 ] - [ 0.0025706400000000, 0.0007329300000000, -0.0011945900000000 ] - [ -0.0005164600000000, 0.0001346900000000, 0.0003265500000000 ] - [ 0.0005125200000000, -0.0006705100000000, 0.0019806600000000 ] - [ 0.0018675700000000, -0.0007721000000000, 0.0001588900000000 ] - [ 0.0002321800000000, 0.0000559700000000, 0.0001674300000000 ] - [ 0.0045323000000000, -0.0013057600000000, 0.0009851700000000 ] - [ -0.0064237300000000, -0.0027898500000000, -0.0046291200000000 ] - [ -0.0050383900000000, 0.0006907200000000, 0.0007962100000000 ] - [ 0.0001844600000000, -0.0005292400000000, -0.0019003900000000 ] - [ 0.0016115600000000, -0.0001652100000000, 0.0004060300000000 ] - [ 0.0026182200000000, -0.0010434300000000, 0.0029565000000000 ] - [ -0.0007487700000000, 0.0000788900000000, -0.0011086400000000 ] - [ -0.0002864500000000, 0.0000991000000000, -0.0014544200000000 ] - [ -0.0003368800000000, 0.0001003200000000, -0.0005534200000000 ] - [ -0.0005660100000000, -0.0001600800000000, 0.0007621200000000 ] - [ -0.0002872900000000, -0.0004426500000000, -0.0003114900000000 ] - [ -0.0007835000000000, -0.0005315400000000, 0.0008321300000000 ] - [ -0.0003472000000000, -0.0001312000000000, -0.0004227500000000 ] - [ -0.0061048600000000, 0.0002602100000000, 0.0012686500000000 ] - [ -0.0003514200000000, 0.0000403200000000, 0.0008473800000000 ] - [ -0.0006115400000000, -0.0002668500000000, -0.0002076500000000 ] - [ -0.0012338800000000, -0.0002929100000000, 0.0025127300000000 ] - [ -0.0005569100000000, -0.0004001500000000, -0.0000970700000000 ] - [ 0.0002109500000000, -0.0004359900000000, -0.0000990200000000 ] - [ -0.0004075100000000, 0.0001127400000000, 0.0001779600000000 ] - [ -0.0011360600000000, 0.0004908900000000, -0.0019624900000000 ] - [ 0.0030936500000000, -0.0004586000000000, -0.0028322400000000 ] - [ -0.0004999900000000, 0.0002343700000000, -0.0003340300000000 ] - [ -0.0006187600000000, 0.0002847900000000, 0.0001396100000000 ] - [ -0.0023130700000000, 0.0006121800000000, -0.0017157000000000 ] - [ -0.0007282500000000, 0.0004520200000000, 0.0003221700000000 ] - [ -0.0007234100000000, -0.0007770900000000, -0.0003778700000000 ] - [ -0.0004713400000000, 0.0001584300000000, -0.0002651600000000 ] - [ -0.0001388400000000, -0.0000597800000000, -0.0000878000000000 ] - [ -0.0008964600000000, 0.0000607600000000, -0.0003653000000000 ] - [ 0.0003280500000000, -0.0000481600000000, -0.0002740100000000 ] - [ -0.0000261300000000, 0.0001313600000000, -0.0010516900000000 ] - [ 0.0032927600000000, -0.0078419900000000, 0.0077550200000000 ] - [ 0.0000256700000000, -0.0003434000000000, -0.0001962200000000 ] - [ -0.0001342800000000, 0.0001164200000000, -0.0007184600000000 ] - [ -0.0007405100000000, 0.0005418200000000, -0.0008257300000000 ] - [ -0.0006938600000000, 0.0003227600000000, -0.0007234400000000 ] - [ 0.1073542300000000, 0.0703329200000000, -0.0263590400000000 ] - [ -0.0010665000000000, -0.0002916400000000, 0.0001276400000000 ] - [ 0.0173574200000000, 0.0003774700000000, -0.0066853900000000 ] - [ -0.0006534100000000, -0.0001641100000000, -0.0003733900000000 ] - [ -0.0010377100000000, -0.0000076600000000, -0.0026438600000000 ] - [ -0.0009576100000000, 0.0004617600000000, -0.0001923100000000 ] - [ -0.0007265000000000, -0.0002856400000000, -0.0002644000000000 ] - [ 0.0065867300000000, 0.0034864200000000, -0.0002595300000000 ] - [ -0.0003288500000000, 0.0000243400000000, -0.0005267100000000 ] - [ 0.0003289600000000, 0.0006393800000000, -0.0018123200000000 ] - [ 0.0073760800000000, 0.0004617400000000, -0.0068572800000000 ] - [ -0.0014035800000000, -0.0094427600000000, -0.0026299900000000 ] - [ -0.0003880800000000, -0.0003883700000000, -0.0007945200000000 ] - [ -0.0003707300000000, 0.0004557400000000, 0.0002801000000000 ] - [ -0.0001461200000000, 0.0001622900000000, -0.0005292400000000 ] - [ -0.0004061300000000, 0.0002285800000000, 0.0016354300000000 ] - [ -0.0023638900000000, -0.0012968800000000, -0.0065013500000000 ] - [ -0.0013088800000000, 0.0000303300000000, -0.0002050200000000 ] - [ -0.0008429500000000, 0.0008925600000000, 0.0034215100000000 ] - [ -0.0011391900000000, -0.0013081400000000, 0.0018812000000000 ] - [ -0.0015337500000000, 0.0002715400000000, 0.0020202400000000 ] - [ 0.0014285800000000, -0.0002002700000000, -0.0006959900000000 ] - [ 0.0009887400000000, -0.0004069300000000, 0.0023707700000000 ] - [ 0.0002005400000000, 0.0002105500000000, 0.0000136600000000 ] - [ -0.0006768400000000, 0.0000361200000000, 0.0007329900000000 ] - [ -0.0002763400000000, 0.0000173700000000, -0.0002110100000000 ] - [ -0.0000752300000000, -0.0005515600000000, 0.0000646300000000 ] - [ -0.0000282200000000, 0.0000884100000000, 0.0003718700000000 ] - [ -0.0004342000000000, 0.0001047500000000, 0.0010865300000000 ] - [ 0.0000802200000000, -0.0005522700000000, 0.0013972800000000 ] - [ -0.0004534900000000, 0.0000897500000000, -0.0002876100000000 ] - [ -0.0016741900000000, 0.0006327800000000, -0.0026254300000000 ] - [ -0.0009038300000000, 0.0005195600000000, -0.0002375600000000 ] - [ 0.0002223200000000, 0.0001113700000000, 0.0002543200000000 ] - [ -0.0006313200000000, -0.0000434300000000, -0.0001391200000000 ] - [ -0.0069662800000000, 0.0017571000000000, 0.0022332100000000 ] - [ 0.0010474200000000, 0.0002206200000000, -0.0004062600000000 ] - [ -0.0004738300000000, -0.0000707000000000, -0.0005218700000000 ] - [ -0.0001544000000000, 0.0004881500000000, 0.0008707100000000 ] - [ -0.0011188400000000, -0.0005463000000000, 0.0009049300000000 ] - [ -0.0002261400000000, -0.0001431100000000, -0.0001073600000000 ] - [ -0.0006079000000000, -0.0001717100000000, -0.0007158900000000 ] - [ -0.0001480600000000, 0.0002790800000000, 0.0007209600000000 ]- atom: 70 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007629300000000, 0.0007886400000000, -0.0002341200000000 ] - [ 0.0006421700000000, -0.0000073600000000, 0.0001046500000000 ] - [ 0.0001041000000000, 0.0002865800000000, -0.0006737600000000 ] - [ -0.0003943100000000, 0.0000888500000000, 0.0008173200000000 ] - [ 0.0035849900000000, 0.0012761100000000, 0.0027904000000000 ] - [ -0.0020913200000000, 0.0046815100000000, -0.0099900100000000 ] - [ 0.0000959100000000, -0.0001472000000000, 0.0001211800000000 ] - [ -0.0002616500000000, 0.0000411800000000, -0.0002603900000000 ] - [ -0.0003769700000000, 0.0004940700000000, 0.0007063500000000 ] - [ -0.0003527900000000, -0.0000342700000000, 0.0001178800000000 ] - [ -0.0007744300000000, 0.0005218400000000, -0.0000457300000000 ] - [ 0.0006436900000000, -0.0000727000000000, 0.0006123600000000 ] - [ -0.0004455200000000, -0.0002267200000000, 0.0001586900000000 ] - [ -0.0001529400000000, 0.0002898700000000, 0.0007827700000000 ] - [ -0.0010234700000000, -0.0002026300000000, 0.0015904900000000 ] - [ 0.0093886800000000, 0.0054167500000000, -0.0030407800000000 ] - [ 0.0004630200000000, -0.0000202500000000, -0.0005089300000000 ] - [ -0.0002564700000000, -0.0002789400000000, -0.0000954600000000 ] - [ 0.0001726200000000, -0.0002562800000000, 0.0000110300000000 ] - [ -0.0004964000000000, -0.0005434400000000, 0.0003218600000000 ] - [ -0.0043244000000000, 0.0009506200000000, -0.0049613000000000 ] - [ -0.0015666900000000, -0.0001579800000000, 0.0013757500000000 ] - [ 0.0002766400000000, 0.0000260000000000, 0.0002419400000000 ] - [ 0.0001864500000000, 0.0000082300000000, 0.0003102100000000 ] - [ -0.0007689100000000, 0.0005568100000000, 0.0001581500000000 ] - [ 0.0005633600000000, -0.0005341800000000, -0.0004273300000000 ] - [ 0.0538289000000000, 0.0898811800000000, -0.0663244400000000 ] - [ -0.0003614500000000, 0.0005332400000000, 0.0001321700000000 ] - [ -0.0001894100000000, 0.0000079400000000, -0.0002810500000000 ] - [ 0.0000004900000000, -0.0001246800000000, -0.0001139000000000 ] - [ -0.0006446700000000, -0.0005200000000000, 0.0005300400000000 ] - [ -0.0001911400000000, 0.0000582700000000, -0.0001316300000000 ] - [ -0.0001164400000000, -0.0001116800000000, 0.0003441200000000 ] - [ 0.0013828300000000, -0.0051173400000000, -0.0003022700000000 ] - [ -0.0001509100000000, -0.0002156000000000, 0.0002945300000000 ] - [ -0.0003126200000000, -0.0007803100000000, 0.0002962100000000 ] - [ 0.0000696300000000, -0.0002200000000000, -0.0000188200000000 ] - [ -0.0000058500000000, 0.0014455200000000, -0.0014183700000000 ] - [ -0.0001903100000000, 0.0000806100000000, 0.0002252600000000 ] - [ -0.0008224000000000, -0.0003270300000000, 0.0005791600000000 ] - [ -0.0002420400000000, 0.0000671400000000, -0.0000139800000000 ] - [ 0.0001025800000000, -0.0003674000000000, 0.0001699100000000 ] - [ 0.0002086900000000, -0.0003804000000000, -0.0001412700000000 ] - [ 0.0003834000000000, -0.0002498200000000, 0.0001078800000000 ] - [ -0.0002007200000000, -0.0002177400000000, -0.0002020800000000 ] - [ -0.0021564600000000, -0.0006501900000000, 0.0011996700000000 ] - [ 0.0001908500000000, 0.0001062200000000, -0.0006194700000000 ] - [ -0.0000722200000000, -0.0003929600000000, 0.0002560000000000 ] - [ 0.0016291300000000, -0.0004479600000000, -0.0021054900000000 ] - [ 0.0003614900000000, -0.0001880400000000, 0.0003312700000000 ] - [ -0.0001319100000000, -0.0001459900000000, -0.0004922100000000 ] - [ 0.0002946600000000, 0.0000667700000000, 0.0000143100000000 ] - [ -0.0030989800000000, 0.0035529500000000, 0.0014028000000000 ] - [ 0.0008884800000000, -0.0006196000000000, -0.0026622700000000 ] - [ -0.0001103800000000, 0.0002779100000000, 0.0006979100000000 ] - [ 0.0006105000000000, -0.0002069000000000, 0.0002252300000000 ] - [ 0.0006118100000000, -0.0005980300000000, 0.0010661000000000 ] - [ -0.0002094000000000, 0.0001721000000000, 0.0006256100000000 ] - [ 0.0003100400000000, -0.0004279700000000, 0.0000927700000000 ] - [ 0.0002709800000000, 0.0001723000000000, 0.0000980600000000 ] - [ 0.0003806500000000, -0.0002461500000000, -0.0000210600000000 ] - [ -0.0002336000000000, 0.0001568500000000, 0.0002759800000000 ] - [ 0.0000578000000000, 0.0000968700000000, -0.0002204100000000 ] - [ -0.0006542200000000, 0.0000655000000000, 0.0001263700000000 ] - [ 0.0075572500000000, 0.0141266300000000, -0.0101937700000000 ] - [ -0.0002957300000000, -0.0003939800000000, -0.0003299600000000 ] - [ -0.0005057600000000, 0.0001049300000000, -0.0000378200000000 ] - [ -0.0004040200000000, 0.0002550900000000, 0.0001435300000000 ] - [ -0.0003488700000000, -0.0000751200000000, 0.0003281200000000 ] - [ -0.0715313300000000, -0.1469893300000000, 0.0836426900000000 ] - [ 0.0000148900000000, -0.0001542100000000, -0.0000392600000000 ] - [ -0.0070039500000000, 0.0135973800000000, -0.0070480200000000 ] - [ -0.0005806400000000, -0.0000511100000000, -0.0001421300000000 ] - [ -0.0010607400000000, -0.0018095400000000, 0.0001663200000000 ] - [ 0.0000229200000000, 0.0000911300000000, 0.0000380000000000 ] - [ -0.0001167500000000, 0.0000169500000000, -0.0002372000000000 ] - [ 0.0012668000000000, 0.0022521100000000, -0.0004757800000000 ] - [ -0.0004024700000000, 0.0003244000000000, 0.0002505000000000 ] - [ -0.0011743400000000, -0.0007141100000000, 0.0005566100000000 ] - [ -0.0003504400000000, -0.0037830300000000, 0.0034629900000000 ] - [ 0.0144778000000000, 0.0228159300000000, 0.0079842400000000 ] - [ -0.0004422800000000, 0.0000294800000000, 0.0001644000000000 ] - [ 0.0004287700000000, 0.0002173800000000, -0.0002397400000000 ] - [ 0.0002600700000000, 0.0001829700000000, -0.0007387600000000 ] - [ 0.0001236800000000, 0.0001741400000000, 0.0001319300000000 ] - [ 0.0007346600000000, 0.0016048900000000, 0.0042780300000000 ] - [ 0.0004079100000000, 0.0000344400000000, -0.0003102100000000 ] - [ -0.0000169600000000, 0.0022238500000000, 0.0002179500000000 ] - [ 0.0009642400000000, 0.0006645400000000, -0.0004148900000000 ] - [ 0.0009548700000000, 0.0001690000000000, -0.0007721800000000 ] - [ -0.0001516200000000, -0.0002099800000000, 0.0001385700000000 ] - [ 0.0003220300000000, -0.0001283600000000, -0.0000405100000000 ] - [ -0.0000313500000000, 0.0000406600000000, -0.0002028100000000 ] - [ -0.0002476000000000, 0.0001227200000000, -0.0003127500000000 ] - [ 0.0005583400000000, 0.0000145000000000, 0.0000135900000000 ] - [ -0.0003387700000000, -0.0003728200000000, -0.0002634100000000 ] - [ 0.0002445500000000, 0.0002724400000000, -0.0000865400000000 ] - [ -0.0000313700000000, 0.0004193500000000, -0.0003869600000000 ] - [ 0.0000921600000000, 0.0000744000000000, 0.0000550500000000 ] - [ 0.0003383200000000, 0.0002734000000000, -0.0002450000000000 ] - [ -0.0003258800000000, -0.0014288800000000, 0.0009741100000000 ] - [ 0.0001871400000000, 0.0000537000000000, -0.0000689400000000 ] - [ -0.0002024900000000, -0.0003228000000000, -0.0005651000000000 ] - [ 0.0001678500000000, 0.0003072000000000, -0.0006783500000000 ] - [ 0.0006495400000000, -0.0013065800000000, -0.0003634600000000 ] - [ -0.0006701300000000, 0.0001392500000000, -0.0012054700000000 ] - [ 0.0002336100000000, 0.0001489900000000, -0.0003450300000000 ] - [ 0.0000570500000000, 0.0000998600000000, -0.0001264800000000 ] - [ 0.0000038300000000, 0.0000210300000000, -0.0002180400000000 ] - [ 0.0005574900000000, -0.0001230900000000, -0.0001873600000000 ] - [ 0.0003386500000000, -0.0000745000000000, -0.0003409400000000 ] - [ 0.0001830300000000, -0.0000659700000000, 0.0000644100000000 ]- atom: 70 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007699900000000, 0.0000776900000000, 0.0002303600000000 ] - [ -0.0011593400000000, -0.0001342000000000, -0.0008139800000000 ] - [ -0.0003442000000000, 0.0003133400000000, -0.0005501000000000 ] - [ 0.0001645400000000, -0.0000212600000000, -0.0003945300000000 ] - [ -0.0035960900000000, -0.0017061300000000, -0.0027757800000000 ] - [ 0.0026483800000000, -0.0043394500000000, 0.0116641600000000 ] - [ 0.0004177600000000, 0.0000010700000000, 0.0005848600000000 ] - [ 0.0004981800000000, 0.0000264400000000, -0.0001630800000000 ] - [ 0.0003771200000000, 0.0003743000000000, -0.0007107900000000 ] - [ -0.0001716300000000, -0.0001101700000000, -0.0008266400000000 ] - [ 0.0005447900000000, 0.0000768500000000, -0.0011844100000000 ] - [ -0.0008880700000000, 0.0001386600000000, -0.0001874300000000 ] - [ 0.0004501300000000, -0.0002242400000000, -0.0001589500000000 ] - [ 0.0003882100000000, 0.0003098100000000, 0.0004408400000000 ] - [ 0.0015501100000000, 0.0000551800000000, -0.0008881500000000 ] - [ -0.0095905200000000, -0.0055680000000000, 0.0024175300000000 ] - [ 0.0000285300000000, -0.0003780000000000, 0.0006077100000000 ] - [ -0.0002401400000000, -0.0001962900000000, -0.0000009900000000 ] - [ 0.0003241700000000, -0.0001478600000000, 0.0000887300000000 ] - [ 0.0000013100000000, 0.0000683100000000, -0.0004232700000000 ] - [ 0.0041037100000000, -0.0020898600000000, 0.0057132100000000 ] - [ 0.0009494600000000, 0.0002089600000000, -0.0019518600000000 ] - [ 0.0004203400000000, 0.0001783200000000, 0.0007825000000000 ] - [ 0.0004359100000000, 0.0000405200000000, 0.0002599600000000 ] - [ -0.0002995100000000, 0.0005906900000000, -0.0001213100000000 ] - [ -0.0003725600000000, -0.0006447900000000, -0.0003311400000000 ] - [ -0.0504672400000000, -0.0872585300000000, 0.0627530100000000 ] - [ 0.0014393300000000, 0.0006122900000000, -0.0001677100000000 ] - [ -0.0005044700000000, 0.0001957600000000, -0.0007389100000000 ] - [ -0.0006667400000000, -0.0003471900000000, 0.0001718600000000 ] - [ 0.0004524600000000, -0.0006588300000000, 0.0002227500000000 ] - [ -0.0004371400000000, -0.0000095100000000, -0.0004396400000000 ] - [ 0.0008112300000000, 0.0003241300000000, 0.0006662700000000 ] - [ -0.0007716800000000, 0.0051795900000000, 0.0008996300000000 ] - [ -0.0009165700000000, 0.0013457000000000, -0.0002679300000000 ] - [ 0.0005085600000000, -0.0003966800000000, -0.0010582500000000 ] - [ 0.0005973800000000, -0.0002525300000000, -0.0000382300000000 ] - [ 0.0010830300000000, -0.0003087600000000, 0.0013897400000000 ] - [ -0.0005100700000000, 0.0001248100000000, -0.0012494700000000 ] - [ 0.0001638000000000, -0.0001443100000000, -0.0005258900000000 ] - [ -0.0000707400000000, 0.0000885200000000, -0.0001400100000000 ] - [ -0.0003600400000000, -0.0004236600000000, 0.0001407600000000 ] - [ 0.0000453200000000, -0.0004211000000000, -0.0001601700000000 ] - [ 0.0000159300000000, -0.0001894500000000, 0.0001985900000000 ] - [ -0.0002039400000000, -0.0002174500000000, -0.0001126300000000 ] - [ 0.0024493800000000, 0.0008182300000000, -0.0010588300000000 ] - [ -0.0005086200000000, 0.0000500000000000, 0.0004730500000000 ] - [ -0.0001817500000000, -0.0003946500000000, 0.0000579800000000 ] - [ -0.0013829400000000, -0.0003451100000000, 0.0018174600000000 ] - [ 0.0000363900000000, -0.0002516000000000, -0.0000168900000000 ] - [ -0.0002698600000000, -0.0002912200000000, 0.0001814000000000 ] - [ 0.0000211100000000, 0.0000916300000000, 0.0001366700000000 ] - [ 0.0036467500000000, -0.0029929600000000, -0.0014815400000000 ] - [ -0.0004636700000000, 0.0010297700000000, 0.0014676400000000 ] - [ 0.0001298000000000, 0.0001928600000000, 0.0002873000000000 ] - [ -0.0001233100000000, 0.0000681300000000, 0.0000973000000000 ] - [ -0.0006960000000000, 0.0005747700000000, -0.0015897000000000 ] - [ -0.0002263000000000, 0.0002268000000000, 0.0005783700000000 ] - [ 0.0000742200000000, -0.0004485500000000, -0.0000782400000000 ] - [ 0.0005382000000000, 0.0000755100000000, -0.0003919900000000 ] - [ 0.0001601400000000, -0.0002194900000000, 0.0002505300000000 ] - [ -0.0001428200000000, 0.0000754700000000, 0.0002670300000000 ] - [ 0.0000609700000000, 0.0000872400000000, 0.0002614600000000 ] - [ -0.0001525400000000, 0.0001823600000000, 0.0001676700000000 ] - [ -0.0067908600000000, -0.0142760200000000, 0.0103652100000000 ] - [ -0.0000894800000000, -0.0004822000000000, 0.0003146500000000 ] - [ 0.0005380500000000, 0.0001796000000000, 0.0001943800000000 ] - [ -0.0001139900000000, 0.0003224800000000, -0.0000563700000000 ] - [ 0.0000042100000000, -0.0000562500000000, 0.0003760800000000 ] - [ 0.0691878900000000, 0.1444443300000000, -0.0809646800000000 ] - [ -0.0005599100000000, -0.0003115400000000, -0.0001902000000000 ] - [ 0.0069789400000000, -0.0131869400000000, 0.0067185100000000 ] - [ -0.0003183300000000, 0.0000411000000000, 0.0001191100000000 ] - [ 0.0010395000000000, 0.0022859500000000, -0.0011568400000000 ] - [ -0.0001431200000000, 0.0000937700000000, -0.0000797200000000 ] - [ -0.0003751700000000, -0.0001574400000000, -0.0000866900000000 ] - [ -0.0008841300000000, -0.0020201100000000, -0.0000771800000000 ] - [ 0.0000018300000000, 0.0001301900000000, 0.0001702100000000 ] - [ 0.0004605600000000, 0.0005331800000000, -0.0003925200000000 ] - [ 0.0010612300000000, 0.0036032500000000, -0.0035467800000000 ] - [ -0.0137900400000000, -0.0226243400000000, -0.0086375400000000 ] - [ 0.0005445200000000, -0.0000426200000000, 0.0003708700000000 ] - [ 0.0000911000000000, 0.0003608600000000, 0.0001560400000000 ] - [ 0.0001780800000000, 0.0002171900000000, -0.0004648400000000 ] - [ -0.0001087800000000, 0.0002979300000000, 0.0008548000000000 ] - [ -0.0002562600000000, -0.0017537700000000, -0.0039822400000000 ] - [ -0.0005099400000000, -0.0000488600000000, -0.0002211500000000 ] - [ -0.0004321400000000, -0.0018286400000000, 0.0009997500000000 ] - [ -0.0005812000000000, -0.0015438500000000, 0.0004332200000000 ] - [ -0.0001490700000000, 0.0000774000000000, 0.0004848700000000 ] - [ 0.0006986000000000, -0.0002594900000000, 0.0001006500000000 ] - [ -0.0007073700000000, 0.0003590600000000, 0.0005854500000000 ] - [ 0.0001547900000000, 0.0001453800000000, 0.0002447800000000 ] - [ -0.0005586200000000, 0.0001250900000000, 0.0006054800000000 ] - [ 0.0003431300000000, -0.0000247200000000, 0.0000103400000000 ] - [ -0.0000417100000000, -0.0005047600000000, 0.0002495000000000 ] - [ -0.0002184600000000, 0.0000085000000000, 0.0002459400000000 ] - [ -0.0004902500000000, 0.0001570500000000, 0.0004764000000000 ] - [ -0.0004407900000000, -0.0002065300000000, 0.0006512400000000 ] - [ 0.0000640000000000, 0.0001816800000000, -0.0001765200000000 ] - [ -0.0002143700000000, 0.0009748600000000, -0.0012064400000000 ] - [ -0.0002182700000000, 0.0002295400000000, -0.0000900000000000 ] - [ -0.0007021800000000, 0.0003142600000000, 0.0005443300000000 ] - [ -0.0001848800000000, 0.0001635200000000, -0.0003032500000000 ] - [ -0.0007489400000000, 0.0015033200000000, 0.0003340400000000 ] - [ 0.0001891300000000, -0.0002694800000000, 0.0008805300000000 ] - [ 0.0001468200000000, 0.0000833800000000, -0.0001954300000000 ] - [ -0.0004627900000000, 0.0003567800000000, 0.0005498600000000 ] - [ -0.0007241400000000, -0.0002019000000000, 0.0003868000000000 ] - [ 0.0001589500000000, -0.0000572900000000, 0.0000199400000000 ] - [ 0.0000069700000000, -0.0000572900000000, -0.0003627300000000 ] - [ -0.0000812500000000, 0.0000524600000000, 0.0004702900000000 ]- atom: 70 displacement: [ -0.0057565208649526, 0.0000000000000000, 0.0081769473235044 ] forces: - [ -0.0013328100000000, 0.0002019900000000, 0.0008336400000000 ] - [ -0.0033319600000000, -0.0000147300000000, -0.0017405300000000 ] - [ -0.0007830900000000, 0.0003658600000000, -0.0006744200000000 ] - [ 0.0001261700000000, -0.0001531400000000, -0.0017275200000000 ] - [ -0.0056899900000000, 0.0004597100000000, -0.0018672100000000 ] - [ -0.0071116100000000, 0.0014104500000000, 0.0097264500000000 ] - [ 0.0000939100000000, -0.0001636900000000, 0.0009422900000000 ] - [ 0.0010621900000000, -0.0000101700000000, -0.0002683800000000 ] - [ 0.0015167700000000, 0.0004621800000000, -0.0014100700000000 ] - [ 0.0003449500000000, -0.0002583900000000, -0.0015936500000000 ] - [ 0.0023820400000000, 0.0008119800000000, -0.0041445600000000 ] - [ -0.0019320700000000, -0.0000137700000000, -0.0013713300000000 ] - [ 0.0009161500000000, -0.0002038000000000, -0.0006580500000000 ] - [ 0.0008456800000000, 0.0003149500000000, 0.0002404300000000 ] - [ 0.0043649800000000, -0.0002458500000000, -0.0003700500000000 ] - [ -0.0047108300000000, 0.0033433400000000, 0.0137570900000000 ] - [ 0.0005302100000000, -0.0001985500000000, 0.0003944000000000 ] - [ -0.0002857400000000, -0.0001583500000000, -0.0000013700000000 ] - [ 0.0003539000000000, -0.0000647200000000, 0.0001701300000000 ] - [ 0.0003079300000000, 0.0002238900000000, -0.0008561300000000 ] - [ 0.0004209900000000, 0.0000340700000000, 0.0062560900000000 ] - [ -0.0000801400000000, -0.0003643700000000, -0.0041045900000000 ] - [ 0.0012169300000000, 0.0001740900000000, 0.0014279300000000 ] - [ 0.0006748500000000, 0.0000859500000000, 0.0002158800000000 ] - [ -0.0002614400000000, 0.0005642000000000, -0.0004561500000000 ] - [ -0.0012086800000000, -0.0008191800000000, -0.0005127100000000 ] - [ -0.0805237400000000, -0.0892908100000000, 0.1040857900000000 ] - [ 0.0027623500000000, 0.0006217000000000, -0.0008475800000000 ] - [ -0.0011385000000000, 0.0004092800000000, -0.0011452000000000 ] - [ -0.0014396200000000, -0.0003921600000000, -0.0001976800000000 ] - [ 0.0014690400000000, -0.0008070200000000, 0.0004278200000000 ] - [ -0.0005708500000000, -0.0000680400000000, -0.0008295400000000 ] - [ 0.0027652700000000, -0.0005939300000000, 0.0020557600000000 ] - [ -0.0016946100000000, -0.0051702100000000, -0.0024160500000000 ] - [ 0.0025095600000000, -0.0014093200000000, -0.0054773200000000 ] - [ 0.0020084600000000, -0.0003475600000000, -0.0024194100000000 ] - [ 0.0008465800000000, -0.0002438800000000, -0.0000435900000000 ] - [ -0.0004905300000000, -0.0000072200000000, 0.0018028300000000 ] - [ -0.0001789900000000, 0.0003065300000000, -0.0029221700000000 ] - [ 0.0006601700000000, -0.0000015800000000, -0.0019515700000000 ] - [ 0.0001317500000000, 0.0001025400000000, -0.0001512300000000 ] - [ -0.0008956200000000, -0.0002636600000000, 0.0004731400000000 ] - [ 0.0000617400000000, -0.0004306700000000, -0.0001489300000000 ] - [ -0.0003174300000000, -0.0004309600000000, 0.0001462400000000 ] - [ -0.0001005600000000, -0.0002520400000000, 0.0000125500000000 ] - [ -0.0038100600000000, 0.0007081200000000, -0.0018103000000000 ] - [ -0.0010061800000000, 0.0000625400000000, 0.0012420500000000 ] - [ -0.0000242000000000, -0.0004922100000000, -0.0000388000000000 ] - [ -0.0025456000000000, -0.0004389800000000, 0.0032217100000000 ] - [ 0.0000828000000000, -0.0002632400000000, -0.0006203100000000 ] - [ -0.0009305300000000, -0.0001695500000000, 0.0013760400000000 ] - [ -0.0001314800000000, 0.0000995900000000, 0.0001164000000000 ] - [ 0.0042501400000000, -0.0025774400000000, -0.0015235300000000 ] - [ 0.0007609400000000, 0.0001938100000000, 0.0022632400000000 ] - [ 0.0004453300000000, 0.0001126100000000, 0.0002722700000000 ] - [ -0.0005890900000000, 0.0002619900000000, 0.0001324500000000 ] - [ 0.0002774500000000, 0.0001594200000000, -0.0012585400000000 ] - [ -0.0002271500000000, 0.0002369700000000, 0.0005885200000000 ] - [ -0.0001546700000000, -0.0006127400000000, -0.0003362500000000 ] - [ 0.0005605500000000, 0.0001299200000000, -0.0008998600000000 ] - [ 0.0001742400000000, -0.0002052300000000, 0.0005889000000000 ] - [ -0.0000056100000000, 0.0000470500000000, 0.0003771300000000 ] - [ 0.0003571100000000, 0.0000878600000000, 0.0006987300000000 ] - [ 0.0003072200000000, 0.0002834300000000, 0.0000554500000000 ] - [ -0.0037591100000000, -0.0117234700000000, 0.0050614400000000 ] - [ 0.0003980500000000, -0.0005672100000000, 0.0008957700000000 ] - [ 0.0012247700000000, 0.0004475400000000, 0.0005366500000000 ] - [ 0.0001648600000000, 0.0003646700000000, -0.0001254000000000 ] - [ 0.0003502300000000, -0.0001564000000000, 0.0006948000000000 ] - [ 0.0823832500000000, 0.1056409800000000, -0.1251853700000000 ] - [ -0.0009960300000000, -0.0003420400000000, -0.0000447200000000 ] - [ 0.0142833000000000, -0.0038492100000000, -0.0040126100000000 ] - [ -0.0001314000000000, 0.0001707800000000, 0.0004582800000000 ] - [ 0.0021221900000000, 0.0017757500000000, -0.0018783100000000 ] - [ -0.0004020700000000, 0.0002669600000000, -0.0002861100000000 ] - [ -0.0003634800000000, -0.0002431600000000, 0.0001738400000000 ] - [ 0.0032976000000000, 0.0008852400000000, 0.0007023500000000 ] - [ 0.0003258700000000, 0.0000779100000000, 0.0003377600000000 ] - [ 0.0013493400000000, 0.0005330600000000, -0.0005439600000000 ] - [ 0.0025520100000000, 0.0010211700000000, 0.0136975000000000 ] - [ 0.0041922500000000, -0.0021057000000000, -0.0154069800000000 ] - [ 0.0013649900000000, -0.0000392600000000, 0.0005512500000000 ] - [ -0.0002769900000000, 0.0004034900000000, 0.0003255000000000 ] - [ 0.0000458300000000, 0.0002082500000000, -0.0002131100000000 ] - [ -0.0014634700000000, 0.0007187400000000, 0.0018797000000000 ] - [ 0.0003995400000000, -0.0018386600000000, -0.0033979100000000 ] - [ -0.0016673400000000, -0.0000652400000000, -0.0004567300000000 ] - [ -0.0038862400000000, 0.0023920300000000, 0.0050468400000000 ] - [ -0.0011134400000000, -0.0004343500000000, -0.0012250000000000 ] - [ -0.0010723600000000, 0.0004986000000000, 0.0007895100000000 ] - [ 0.0008578100000000, -0.0009547400000000, 0.0028209100000000 ] - [ -0.0010661200000000, -0.0005080300000000, 0.0022929600000000 ] - [ 0.0000882700000000, 0.0002062700000000, 0.0009107600000000 ] - [ -0.0010662000000000, 0.0001656600000000, 0.0016087500000000 ] - [ 0.0001526600000000, -0.0000633000000000, 0.0000193900000000 ] - [ 0.0000527000000000, -0.0005725700000000, 0.0006875900000000 ] - [ -0.0003313700000000, -0.0001035700000000, 0.0006891800000000 ] - [ -0.0012013800000000, -0.0000497500000000, 0.0010780300000000 ] - [ -0.0009487700000000, -0.0007459900000000, 0.0016305400000000 ] - [ -0.0001119000000000, 0.0001198900000000, -0.0001216700000000 ] - [ 0.0004527000000000, 0.0004361000000000, -0.0019161100000000 ] - [ -0.0004397400000000, 0.0003454300000000, -0.0000481400000000 ] - [ -0.0005883200000000, 0.0009364800000000, 0.0015631000000000 ] - [ -0.0005862100000000, 0.0000790700000000, -0.0001477200000000 ] - [ -0.0045029200000000, 0.0004488900000000, -0.0009291600000000 ] - [ 0.0009878400000000, 0.0007698800000000, 0.0013805700000000 ] - [ 0.0000222800000000, 0.0000531600000000, -0.0000972300000000 ] - [ -0.0007123400000000, 0.0006531500000000, 0.0014797000000000 ] - [ -0.0011870500000000, -0.0004489100000000, 0.0011416800000000 ] - [ -0.0000699300000000, -0.0000226700000000, 0.0002438100000000 ] - [ -0.0002652800000000, -0.0000325400000000, -0.0004094900000000 ] - [ -0.0009438300000000, 0.0001087500000000, 0.0006408000000000 ]- atom: 70 displacement: [ 0.0057565208649526, 0.0000000000000000, -0.0081769473235044 ] forces: - [ 0.0013349900000000, 0.0006656100000000, -0.0008318700000000 ] - [ 0.0028081500000000, -0.0001295100000000, 0.0010382500000000 ] - [ 0.0005476500000000, 0.0002329400000000, -0.0005487500000000 ] - [ -0.0003624000000000, 0.0002203900000000, 0.0021522800000000 ] - [ 0.0057118600000000, -0.0009198600000000, 0.0018680500000000 ] - [ 0.0073823300000000, -0.0008566400000000, -0.0084564400000000 ] - [ 0.0004286800000000, 0.0000200300000000, -0.0002374000000000 ] - [ -0.0008281100000000, 0.0000779500000000, -0.0001572900000000 ] - [ -0.0015176300000000, 0.0004070500000000, 0.0014137700000000 ] - [ -0.0008670100000000, 0.0001148100000000, 0.0008912900000000 ] - [ -0.0026144600000000, -0.0002082100000000, 0.0029124000000000 ] - [ 0.0017021600000000, 0.0000809500000000, 0.0018026700000000 ] - [ -0.0009167600000000, -0.0002472900000000, 0.0006576700000000 ] - [ -0.0006111400000000, 0.0002842500000000, 0.0009851500000000 ] - [ -0.0038398300000000, 0.0000992600000000, 0.0010885900000000 ] - [ 0.0049442800000000, -0.0032906600000000, -0.0141782100000000 ] - [ -0.0000555200000000, -0.0002019600000000, -0.0002929400000000 ] - [ -0.0002067000000000, -0.0003155400000000, -0.0000922900000000 ] - [ 0.0001389000000000, -0.0003409200000000, -0.0000713200000000 ] - [ -0.0008015500000000, -0.0007057600000000, 0.0007578000000000 ] - [ -0.0006024300000000, -0.0012094200000000, -0.0055066900000000 ] - [ -0.0005501600000000, 0.0004109600000000, 0.0035342300000000 ] - [ -0.0005220800000000, 0.0000295500000000, -0.0004112000000000 ] - [ -0.0000509200000000, -0.0000373100000000, 0.0003546700000000 ] - [ -0.0008123700000000, 0.0005825100000000, 0.0004935200000000 ] - [ 0.0014031200000000, -0.0003582200000000, -0.0002429400000000 ] - [ 0.0839113800000000, 0.0938119700000000, -0.1074456600000000 ] - [ -0.0016894200000000, 0.0005250100000000, 0.0008094600000000 ] - [ 0.0004403100000000, -0.0002051700000000, 0.0001279300000000 ] - [ 0.0007767700000000, -0.0000788900000000, 0.0002531200000000 ] - [ -0.0016640900000000, -0.0003708100000000, 0.0003300700000000 ] - [ -0.0000527600000000, 0.0001168900000000, 0.0002607600000000 ] - [ -0.0020800700000000, 0.0007891700000000, -0.0010412200000000 ] - [ 0.0022871100000000, 0.0051277700000000, 0.0030260900000000 ] - [ -0.0036110400000000, 0.0025616300000000, 0.0055345500000000 ] - [ -0.0018148200000000, -0.0008304300000000, 0.0016633500000000 ] - [ -0.0001829700000000, -0.0002277400000000, -0.0000118500000000 ] - [ 0.0015573800000000, 0.0011563800000000, -0.0018525200000000 ] - [ -0.0005195400000000, -0.0001028800000000, 0.0019097000000000 ] - [ -0.0013245600000000, -0.0004697200000000, 0.0020047900000000 ] - [ -0.0004381500000000, 0.0000461100000000, -0.0000076700000000 ] - [ 0.0006496900000000, -0.0005261000000000, -0.0001620400000000 ] - [ 0.0001840500000000, -0.0003696600000000, -0.0001523900000000 ] - [ 0.0007214400000000, -0.0000043700000000, 0.0001694200000000 ] - [ -0.0003105100000000, -0.0001777100000000, -0.0003324400000000 ] - [ 0.0041672100000000, -0.0005759200000000, 0.0019735500000000 ] - [ 0.0006970700000000, 0.0000883700000000, -0.0013966900000000 ] - [ -0.0002196200000000, -0.0002964800000000, 0.0003520700000000 ] - [ 0.0028047600000000, -0.0003517100000000, -0.0035384400000000 ] - [ 0.0003244400000000, -0.0001704200000000, 0.0009377900000000 ] - [ 0.0005242000000000, -0.0002631200000000, -0.0016973700000000 ] - [ 0.0004420200000000, 0.0000529900000000, 0.0000388500000000 ] - [ -0.0037288500000000, 0.0031559400000000, 0.0014450500000000 ] - [ -0.0003095200000000, 0.0001944100000000, -0.0034649300000000 ] - [ -0.0004287100000000, 0.0003580400000000, 0.0007113300000000 ] - [ 0.0010793800000000, -0.0004013300000000, 0.0001911300000000 ] - [ -0.0003819100000000, -0.0001736500000000, 0.0007261200000000 ] - [ -0.0002106600000000, 0.0001626700000000, 0.0006160500000000 ] - [ 0.0005387800000000, -0.0002626800000000, 0.0003531900000000 ] - [ 0.0002454700000000, 0.0001172500000000, 0.0006123300000000 ] - [ 0.0003669500000000, -0.0002605400000000, -0.0003591300000000 ] - [ -0.0003745300000000, 0.0001859700000000, 0.0001648600000000 ] - [ -0.0002364900000000, 0.0000966600000000, -0.0006585800000000 ] - [ -0.0011131100000000, -0.0000360700000000, 0.0002322700000000 ] - [ 0.0046189600000000, 0.0116086500000000, -0.0050250600000000 ] - [ -0.0007814900000000, -0.0003082400000000, -0.0009108600000000 ] - [ -0.0011996800000000, -0.0001648000000000, -0.0003782000000000 ] - [ -0.0006850400000000, 0.0002134400000000, 0.0002122300000000 ] - [ -0.0006972900000000, 0.0000257000000000, 0.0000110200000000 ] - [ -0.0843331300000000, -0.1099658200000000, 0.1279516900000000 ] - [ 0.0004544600000000, -0.0001238500000000, -0.0001837200000000 ] - [ -0.0145030700000000, 0.0041870500000000, 0.0038817700000000 ] - [ -0.0007716900000000, -0.0001817800000000, -0.0004822500000000 ] - [ -0.0021469200000000, -0.0013116700000000, 0.0008934800000000 ] - [ 0.0002817600000000, -0.0000823800000000, 0.0002463900000000 ] - [ -0.0001268300000000, 0.0001039700000000, -0.0004969200000000 ] - [ -0.0028855200000000, -0.0006240200000000, -0.0012537700000000 ] - [ -0.0007306800000000, 0.0003779400000000, 0.0000844100000000 ] - [ -0.0020727400000000, -0.0007162800000000, 0.0007147000000000 ] - [ -0.0019389700000000, -0.0012405500000000, -0.0140995700000000 ] - [ -0.0038788000000000, 0.0019767000000000, 0.0148555600000000 ] - [ -0.0012649800000000, 0.0000255000000000, -0.0000192500000000 ] - [ 0.0007963400000000, 0.0001738100000000, -0.0004128900000000 ] - [ 0.0003906400000000, 0.0001912200000000, -0.0009917600000000 ] - [ 0.0014771600000000, -0.0002473600000000, -0.0008954300000000 ] - [ 0.0000874200000000, 0.0017057800000000, 0.0037407500000000 ] - [ 0.0015658600000000, 0.0000519900000000, -0.0000769000000000 ] - [ 0.0034155100000000, -0.0019619000000000, -0.0038066200000000 ] - [ 0.0015102900000000, -0.0004250800000000, 0.0012263300000000 ] - [ 0.0018807300000000, -0.0002482200000000, -0.0010815500000000 ] - [ -0.0003141000000000, 0.0004949600000000, -0.0026031800000000 ] - [ 0.0006857300000000, 0.0007375300000000, -0.0017495100000000 ] - [ 0.0000318900000000, -0.0000218000000000, -0.0008722000000000 ] - [ 0.0002602000000000, 0.0000813100000000, -0.0013226600000000 ] - [ 0.0007489200000000, 0.0000527500000000, 0.0000038100000000 ] - [ -0.0004377700000000, -0.0003027700000000, -0.0007046800000000 ] - [ 0.0003597500000000, 0.0003868700000000, -0.0005294500000000 ] - [ 0.0006807400000000, 0.0006276800000000, -0.0009920100000000 ] - [ 0.0006023400000000, 0.0006138700000000, -0.0009216800000000 ] - [ 0.0005153200000000, 0.0003354500000000, -0.0003008800000000 ] - [ -0.0009882200000000, -0.0009082300000000, 0.0017015400000000 ] - [ 0.0004109200000000, -0.0000620000000000, -0.0001103500000000 ] - [ -0.0003124600000000, -0.0009461000000000, -0.0015852100000000 ] - [ 0.0005688000000000, 0.0003921000000000, -0.0008366600000000 ] - [ 0.0043590900000000, -0.0002703900000000, 0.0008757600000000 ] - [ -0.0014805600000000, -0.0009169500000000, -0.0017105900000000 ] - [ 0.0003563900000000, 0.0001797300000000, -0.0004459700000000 ] - [ 0.0003088100000000, -0.0001975900000000, -0.0010556200000000 ] - [ 0.0004692200000000, 0.0002670600000000, -0.0009731200000000 ] - [ 0.0007872900000000, -0.0001588200000000, -0.0004109100000000 ] - [ 0.0006109600000000, -0.0000984900000000, -0.0002969600000000 ] - [ 0.0010442900000000, -0.0001227700000000, -0.0001089100000000 ]- atom: 79 displacement: [ 0.0099999987502926, 0.0000000000000000, -0.0000049994145799 ] forces: - [ -0.0003079100000000, 0.0004492800000000, -0.0014137400000000 ] - [ -0.0006778800000000, -0.0001057800000000, -0.0014751600000000 ] - [ 0.0028099500000000, 0.0014480900000000, -0.0015675500000000 ] - [ -0.0015558900000000, -0.0000283700000000, -0.0001338100000000 ] - [ 0.0111232600000000, -0.0004031800000000, -0.0056543100000000 ] - [ 0.0004479200000000, 0.0002616000000000, -0.0009423000000000 ] - [ 0.0004840800000000, 0.0000075300000000, -0.0002377100000000 ] - [ -0.0013377100000000, 0.0000721900000000, 0.0000792700000000 ] - [ -0.0007681200000000, 0.0000305200000000, 0.0035565600000000 ] - [ -0.0010310300000000, 0.0002792700000000, 0.0040098800000000 ] - [ -0.0009319500000000, 0.0003730500000000, 0.0002156000000000 ] - [ 0.0063837300000000, 0.0016290700000000, 0.0075937500000000 ] - [ -0.0018141400000000, -0.0002354500000000, -0.0000845100000000 ] - [ -0.0014395800000000, 0.0003375700000000, 0.0026546300000000 ] - [ 0.0013497100000000, -0.0001870200000000, 0.0030172800000000 ] - [ 0.0065497100000000, -0.0006083800000000, -0.0018271400000000 ] - [ -0.0000011400000000, -0.0000354800000000, -0.0003362700000000 ] - [ -0.0007255200000000, -0.0003499200000000, -0.0007966200000000 ] - [ -0.0005971900000000, -0.0007320600000000, -0.0003360100000000 ] - [ -0.0007028700000000, -0.0001815400000000, -0.0000302000000000 ] - [ -0.0009272100000000, -0.0005032800000000, -0.0009736600000000 ] - [ -0.0005405900000000, 0.0000041300000000, -0.0004016900000000 ] - [ -0.0002396300000000, 0.0000453300000000, 0.0000469700000000 ] - [ 0.0001745600000000, -0.0001690300000000, 0.0013684800000000 ] - [ -0.0027203300000000, 0.0003534000000000, -0.0002107100000000 ] - [ -0.0009162300000000, -0.0007201700000000, -0.0024272000000000 ] - [ -0.0015265100000000, -0.0006985400000000, -0.0041994100000000 ] - [ -0.0011935300000000, 0.0007265900000000, -0.0000632200000000 ] - [ -0.0011120300000000, 0.0002573900000000, -0.0014909700000000 ] - [ 0.0232778500000000, -0.0043079900000000, 0.0008348000000000 ] - [ -0.0023714000000000, -0.0000314600000000, 0.0044651100000000 ] - [ 0.0019291300000000, 0.0012864300000000, 0.0021199100000000 ] - [ 0.0024794900000000, 0.0006845100000000, 0.0033660100000000 ] - [ 0.0017252700000000, 0.0000873000000000, 0.0002471900000000 ] - [ -0.0080459100000000, 0.0011549000000000, -0.0042036000000000 ] - [ -0.0015469800000000, -0.0007807400000000, 0.0013531100000000 ] - [ -0.0014986100000000, -0.0002063700000000, 0.0003923300000000 ] - [ 0.0821062900000000, 0.0266308900000000, -0.0524900300000000 ] - [ -0.0029812600000000, 0.0001364900000000, 0.0028632000000000 ] - [ -0.0016748900000000, -0.0003395700000000, 0.0000868400000000 ] - [ -0.0003833600000000, 0.0000230900000000, 0.0007685900000000 ] - [ 0.0005450600000000, -0.0004949000000000, 0.0002205000000000 ] - [ 0.0010922800000000, -0.0002794600000000, 0.0000227200000000 ] - [ 0.0006072700000000, -0.0000761400000000, 0.0002759900000000 ] - [ 0.0001875400000000, -0.0003724800000000, 0.0001725700000000 ] - [ 0.0003916100000000, 0.0000844400000000, 0.0006170400000000 ] - [ 0.0004960200000000, 0.0001432200000000, -0.0006215200000000 ] - [ 0.0005555400000000, -0.0005795700000000, 0.0006544400000000 ] - [ 0.0011330500000000, -0.0000354700000000, 0.0002337500000000 ] - [ 0.0057839300000000, 0.0015028600000000, -0.0116973200000000 ] - [ 0.0012479600000000, -0.0005906500000000, -0.0011800700000000 ] - [ 0.0009415300000000, 0.0000196900000000, -0.0007857800000000 ] - [ 0.0004331100000000, 0.0004809100000000, 0.0007094200000000 ] - [ 0.0001305000000000, 0.0003243300000000, -0.0001729500000000 ] - [ -0.0000907800000000, 0.0005384000000000, 0.0013262000000000 ] - [ 0.0012039700000000, -0.0004569500000000, 0.0004045400000000 ] - [ 0.0003532300000000, -0.0002769300000000, 0.0003655800000000 ] - [ -0.0005233400000000, 0.0000950100000000, 0.0005168500000000 ] - [ 0.0005362400000000, -0.0002859500000000, 0.0000993300000000 ] - [ 0.0004371400000000, 0.0001498200000000, 0.0002518100000000 ] - [ 0.0012318800000000, -0.0004116800000000, 0.0005154800000000 ] - [ -0.0017169800000000, 0.0002372000000000, -0.0002181100000000 ] - [ 0.0004878500000000, 0.0002875200000000, 0.0003687900000000 ] - [ -0.0003371600000000, 0.0001401400000000, 0.0007667400000000 ] - [ -0.0004586900000000, -0.0001603300000000, 0.0001601500000000 ] - [ 0.0003028700000000, -0.0006359200000000, 0.0004112600000000 ] - [ -0.0095521000000000, 0.0034903100000000, -0.0037903100000000 ] - [ -0.0003393200000000, -0.0001814200000000, 0.0010252800000000 ] - [ -0.0022024300000000, -0.0036496100000000, 0.0074043700000000 ] - [ -0.0004820400000000, -0.0005934800000000, 0.0014074700000000 ] - [ 0.0005330200000000, -0.0000842500000000, 0.0000506100000000 ] - [ 0.0004922900000000, 0.0009647800000000, 0.0043123400000000 ] - [ -0.0032997800000000, -0.0017432900000000, -0.0039934800000000 ] - [ 0.0001310700000000, 0.0001816100000000, 0.0002091300000000 ] - [ 0.0003071600000000, -0.0001029400000000, 0.0000105500000000 ] - [ 0.0008942600000000, 0.0003357100000000, 0.0002291400000000 ] - [ -0.0000893900000000, -0.0001346600000000, 0.0000008600000000 ] - [ -0.0072045700000000, 0.0009299200000000, -0.0019150100000000 ] - [ -0.1011469800000000, -0.0292881700000000, 0.0591834900000000 ] - [ 0.0022521600000000, 0.0001158900000000, 0.0053728100000000 ] - [ 0.0005729400000000, 0.0006638900000000, 0.0016428200000000 ] - [ 0.0005596500000000, 0.0002457700000000, 0.0010176500000000 ] - [ 0.0007778600000000, -0.0006992600000000, -0.0022042800000000 ] - [ 0.0004302800000000, -0.0001229400000000, -0.0021123500000000 ] - [ 0.0003588900000000, -0.0000718900000000, -0.0006546800000000 ] - [ -0.0164170400000000, 0.0049608700000000, 0.0039345200000000 ] - [ -0.0000137200000000, 0.0004735500000000, -0.0020981900000000 ] - [ -0.0005326900000000, 0.0004658600000000, 0.0002726500000000 ] - [ -0.0015452000000000, -0.0008658300000000, -0.0010244800000000 ] - [ 0.0005208800000000, -0.0000911400000000, -0.0017570900000000 ] - [ 0.0131484700000000, 0.0008953800000000, -0.0004526300000000 ] - [ -0.0003673000000000, -0.0000830800000000, -0.0001197800000000 ] - [ 0.0018786500000000, 0.0014364100000000, -0.0027367900000000 ] - [ 0.0012615100000000, -0.0003153200000000, -0.0032654900000000 ] - [ 0.0008413200000000, 0.0002972900000000, -0.0004058700000000 ] - [ 0.0016307000000000, -0.0022078900000000, -0.0025003100000000 ] - [ 0.0009328000000000, 0.0005061300000000, 0.0002364300000000 ] - [ 0.0001272800000000, 0.0006976500000000, -0.0011240700000000 ] - [ 0.0003873100000000, -0.0000451900000000, 0.0003137000000000 ] - [ 0.0009588300000000, 0.0005912300000000, -0.0006895600000000 ] - [ -0.0110843900000000, -0.0021895500000000, -0.0002586000000000 ] - [ 0.0010491600000000, -0.0002977400000000, -0.0000399500000000 ] - [ -0.0001012000000000, -0.0000258200000000, 0.0000796900000000 ] - [ 0.0007759200000000, 0.0009970900000000, -0.0026326500000000 ] - [ -0.0014638400000000, 0.0007517900000000, -0.0011375700000000 ] - [ 0.0045523700000000, -0.0007590800000000, 0.0000918000000000 ] - [ -0.0000197600000000, 0.0002585900000000, -0.0014801000000000 ] - [ 0.0003836200000000, 0.0000268700000000, 0.0000964000000000 ] - [ 0.0004853500000000, 0.0000211600000000, -0.0000472800000000 ] - [ 0.0012978200000000, -0.0001990300000000, -0.0003158100000000 ] - [ 0.0012435700000000, -0.0003135000000000, -0.0006440100000000 ] - [ 0.0008334700000000, -0.0002440900000000, -0.0006524600000000 ]- atom: 79 displacement: [ -0.0099999987502926, 0.0000000000000000, 0.0000049994145799 ] forces: - [ 0.0003025400000000, 0.0004171400000000, 0.0014049900000000 ] - [ 0.0001502300000000, -0.0000378700000000, 0.0007662900000000 ] - [ -0.0030541700000000, -0.0008582100000000, 0.0003115000000000 ] - [ 0.0013159200000000, 0.0000951800000000, 0.0005572300000000 ] - [ -0.0109122200000000, 0.0002696800000000, 0.0058287400000000 ] - [ -0.0002126800000000, 0.0003379500000000, 0.0021603200000000 ] - [ 0.0000356800000000, -0.0001514100000000, 0.0009328500000000 ] - [ 0.0015691100000000, -0.0000049900000000, -0.0005044900000000 ] - [ 0.0007619700000000, 0.0008370600000000, -0.0035468400000000 ] - [ 0.0005146700000000, -0.0004219900000000, -0.0047013500000000 ] - [ 0.0006913900000000, 0.0002273200000000, -0.0014377900000000 ] - [ -0.0063532700000000, -0.0016910200000000, -0.0074332800000000 ] - [ 0.0018092400000000, -0.0002121600000000, 0.0000843300000000 ] - [ 0.0016784100000000, 0.0002623900000000, -0.0014276500000000 ] - [ -0.0008301500000000, 0.0000396100000000, -0.0023047300000000 ] - [ -0.0062787000000000, 0.0006711300000000, 0.0014020300000000 ] - [ 0.0004982000000000, -0.0003729400000000, 0.0004334900000000 ] - [ 0.0002290200000000, -0.0001223300000000, 0.0006991200000000 ] - [ 0.0011038700000000, 0.0003327100000000, 0.0004397900000000 ] - [ 0.0002043200000000, -0.0002948500000000, -0.0000644400000000 ] - [ 0.0007273000000000, -0.0006738200000000, 0.0017214900000000 ] - [ -0.0000853300000000, 0.0000436900000000, -0.0001691300000000 ] - [ 0.0009328600000000, 0.0001583900000000, 0.0009642000000000 ] - [ 0.0004537400000000, 0.0002172800000000, -0.0008021500000000 ] - [ 0.0016422700000000, 0.0007951000000000, 0.0002506200000000 ] - [ 0.0010926200000000, -0.0004616600000000, 0.0016613400000000 ] - [ 0.0021867500000000, 0.0002175800000000, 0.0041196900000000 ] - [ 0.0022581600000000, 0.0004211200000000, 0.0000243900000000 ] - [ 0.0004099100000000, -0.0000531000000000, 0.0004745900000000 ] - [ -0.0241403600000000, 0.0041372000000000, -0.0010696000000000 ] - [ 0.0021853700000000, -0.0011481000000000, -0.0037209400000000 ] - [ -0.0025334900000000, -0.0012287000000000, -0.0026936400000000 ] - [ -0.0017949300000000, -0.0004733200000000, -0.0023245300000000 ] - [ -0.0010982200000000, -0.0000401100000000, 0.0003225900000000 ] - [ 0.0069477200000000, -0.0000030400000000, 0.0042294600000000 ] - [ 0.0017327800000000, -0.0003981900000000, -0.0021032600000000 ] - [ 0.0021625600000000, -0.0002655100000000, -0.0004476700000000 ] - [ -0.0826774600000000, -0.0267088900000000, 0.0550319800000000 ] - [ 0.0022834600000000, 0.0000685400000000, -0.0038532900000000 ] - [ 0.0010051500000000, -0.0001333600000000, -0.0000303400000000 ] - [ 0.0000825300000000, 0.0001388300000000, -0.0009328900000000 ] - [ -0.0007922100000000, -0.0002948000000000, 0.0000933300000000 ] - [ -0.0008552000000000, -0.0005237900000000, -0.0003284700000000 ] - [ -0.0002044900000000, -0.0003623200000000, 0.0000367400000000 ] - [ -0.0006008500000000, -0.0000575800000000, -0.0004989300000000 ] - [ -0.0000763900000000, 0.0000750600000000, -0.0004618800000000 ] - [ -0.0008036500000000, 0.0000120900000000, 0.0004561800000000 ] - [ -0.0007966700000000, -0.0002185400000000, -0.0003411600000000 ] - [ -0.0008769700000000, -0.0007625400000000, -0.0005343300000000 ] - [ -0.0054350300000000, -0.0019420600000000, 0.0120891500000000 ] - [ -0.0016530100000000, 0.0001574200000000, 0.0008531400000000 ] - [ -0.0006291300000000, 0.0001380400000000, 0.0009485900000000 ] - [ 0.0000883900000000, 0.0000982100000000, -0.0007898600000000 ] - [ 0.0003072200000000, 0.0000762400000000, -0.0010296900000000 ] - [ 0.0001101100000000, -0.0000681600000000, -0.0003392200000000 ] - [ -0.0007094000000000, 0.0003156900000000, -0.0000785600000000 ] - [ -0.0004511500000000, 0.0002614000000000, -0.0008918600000000 ] - [ 0.0000808400000000, 0.0003039900000000, 0.0006956100000000 ] - [ -0.0001512200000000, -0.0005874400000000, -0.0000798800000000 ] - [ 0.0003689400000000, 0.0000967600000000, -0.0005356600000000 ] - [ -0.0006884600000000, -0.0000539200000000, -0.0002881000000000 ] - [ 0.0013292000000000, -0.0000034500000000, 0.0007618100000000 ] - [ -0.0003645900000000, -0.0001034900000000, -0.0003290600000000 ] - [ -0.0004671500000000, 0.0001069700000000, -0.0004787300000000 ] - [ 0.0013563800000000, 0.0001493200000000, -0.0001367200000000 ] - [ -0.0006845000000000, -0.0002394500000000, -0.0004272800000000 ] - [ 0.0095269700000000, -0.0032184500000000, 0.0039767900000000 ] - [ -0.0001762400000000, 0.0007598300000000, -0.0009352900000000 ] - [ 0.0018553100000000, 0.0035086000000000, -0.0066989800000000 ] - [ 0.0008792000000000, 0.0010432600000000, -0.0018194200000000 ] - [ -0.0010723800000000, -0.0003799800000000, -0.0002764200000000 ] - [ -0.0005214900000000, -0.0006806500000000, -0.0044618900000000 ] - [ 0.0023697700000000, 0.0017284000000000, 0.0039495100000000 ] - [ -0.0001453200000000, 0.0002889500000000, -0.0011877500000000 ] - [ -0.0004276500000000, 0.0002849400000000, -0.0000477700000000 ] - [ -0.0013839200000000, -0.0004743600000000, -0.0005541400000000 ] - [ 0.0004686500000000, 0.0003659900000000, -0.0005411600000000 ] - [ 0.0068028000000000, -0.0004854600000000, 0.0024711700000000 ] - [ 0.1015403100000000, 0.0298880900000000, -0.0611937800000000 ] - [ -0.0015133400000000, -0.0002867500000000, -0.0054984600000000 ] - [ -0.0002250800000000, -0.0007908200000000, -0.0023323500000000 ] - [ -0.0004502600000000, -0.0002567100000000, -0.0004817900000000 ] - [ -0.0002579500000000, 0.0012798500000000, 0.0021203800000000 ] - [ -0.0000003300000000, 0.0005185200000000, 0.0009099900000000 ] - [ -0.0003415000000000, 0.0005415400000000, 0.0016332200000000 ] - [ 0.0170210500000000, -0.0051228100000000, -0.0036652900000000 ] - [ -0.0000863100000000, -0.0004872500000000, 0.0015683700000000 ] - [ 0.0000936200000000, -0.0000653300000000, 0.0009305100000000 ] - [ 0.0019254500000000, -0.0000107900000000, 0.0010382700000000 ] - [ 0.0002889500000000, 0.0003404600000000, 0.0014559600000000 ] - [ -0.0124387300000000, -0.0013242700000000, 0.0006421200000000 ] - [ -0.0000127700000000, 0.0003145300000000, 0.0006605400000000 ] - [ -0.0017599700000000, -0.0012553100000000, 0.0027688800000000 ] - [ -0.0020640800000000, 0.0005580700000000, 0.0035377500000000 ] - [ 0.0000584100000000, -0.0003095700000000, 0.0004320000000000 ] - [ -0.0020101300000000, 0.0013262800000000, 0.0024706300000000 ] - [ -0.0008963700000000, -0.0002216500000000, -0.0000761300000000 ] - [ -0.0006454000000000, -0.0001180100000000, 0.0012043100000000 ] - [ -0.0007310700000000, -0.0000860300000000, 0.0003872200000000 ] - [ -0.0005579300000000, -0.0001365300000000, 0.0002693700000000 ] - [ 0.0106354500000000, 0.0017530300000000, -0.0001206000000000 ] - [ -0.0010827700000000, 0.0005803700000000, -0.0001196400000000 ] - [ -0.0007989400000000, 0.0000146700000000, -0.0001037300000000 ] - [ -0.0007936700000000, -0.0005304300000000, 0.0016516600000000 ] - [ 0.0013407900000000, -0.0005654900000000, 0.0010849500000000 ] - [ -0.0050114500000000, 0.0005753800000000, -0.0004103900000000 ] - [ 0.0003944800000000, -0.0000262100000000, 0.0009364100000000 ] - [ -0.0007830100000000, 0.0004269400000000, 0.0003230600000000 ] - [ -0.0011987200000000, -0.0002006100000000, 0.0002143700000000 ] - [ -0.0005806500000000, 0.0000186100000000, 0.0001464400000000 ] - [ -0.0009013000000000, 0.0001813000000000, -0.0000578700000000 ] - [ -0.0007303200000000, 0.0002299100000000, 0.0011807900000000 ]- atom: 79 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006122700000000, 0.0005403200000000, 0.0006178800000000 ] - [ 0.0007603800000000, -0.0002050300000000, -0.0002243800000000 ] - [ -0.0004729200000000, -0.0012112800000000, 0.0013624000000000 ] - [ 0.0000356700000000, 0.0000741600000000, 0.0001156900000000 ] - [ 0.0080671200000000, 0.0092469800000000, 0.0012633100000000 ] - [ 0.0007839000000000, 0.0003122900000000, 0.0004689600000000 ] - [ 0.0001839800000000, -0.0000044800000000, 0.0013819600000000 ] - [ -0.0004541300000000, 0.0000899200000000, 0.0001025900000000 ] - [ -0.0002105000000000, 0.0003843800000000, 0.0011231500000000 ] - [ -0.0011915800000000, -0.0000919500000000, -0.0000282100000000 ] - [ 0.0000831400000000, 0.0002555400000000, -0.0001970600000000 ] - [ -0.0029477500000000, 0.0045000400000000, 0.0005568900000000 ] - [ -0.0002980600000000, -0.0002730600000000, -0.0000532600000000 ] - [ -0.0012196600000000, 0.0003019200000000, 0.0012959300000000 ] - [ 0.0011040700000000, -0.0000049900000000, 0.0017779900000000 ] - [ 0.0042003200000000, 0.0009231300000000, 0.0018002300000000 ] - [ 0.0002373800000000, -0.0001786400000000, 0.0000705700000000 ] - [ -0.0003375500000000, -0.0005410400000000, -0.0006180900000000 ] - [ -0.0003672800000000, -0.0006583100000000, -0.0004157900000000 ] - [ -0.0002733000000000, -0.0002298000000000, 0.0000267900000000 ] - [ 0.0001663700000000, -0.0006257000000000, 0.0005972100000000 ] - [ 0.0002216000000000, 0.0000433400000000, -0.0000616100000000 ] - [ 0.0001803200000000, 0.0001080100000000, 0.0008543600000000 ] - [ -0.0006897300000000, -0.0001950900000000, 0.0010224800000000 ] - [ -0.0006502000000000, 0.0003694600000000, -0.0005977700000000 ] - [ 0.0033301500000000, 0.0003418500000000, 0.0008354700000000 ] - [ -0.0007249000000000, 0.0009356000000000, -0.0006348600000000 ] - [ 0.0002596800000000, 0.0005816100000000, 0.0001949400000000 ] - [ 0.0001812100000000, 0.0001036900000000, -0.0009984800000000 ] - [ -0.0007756200000000, -0.0005027400000000, 0.0114409500000000 ] - [ -0.0018807000000000, -0.0003038500000000, 0.0021462500000000 ] - [ -0.0025096000000000, -0.0001132600000000, 0.0007938300000000 ] - [ 0.0013441500000000, -0.0005354800000000, 0.0020615300000000 ] - [ 0.0014426200000000, -0.0000168000000000, 0.0006312800000000 ] - [ -0.0001611100000000, 0.0014711800000000, -0.0001898700000000 ] - [ 0.0000380800000000, -0.0006383000000000, 0.0002552700000000 ] - [ -0.0006929100000000, -0.0003917100000000, -0.0003424800000000 ] - [ 0.0209764400000000, 0.0290366700000000, -0.0176179800000000 ] - [ -0.0004970800000000, 0.0000063300000000, 0.0005424800000000 ] - [ -0.0003034300000000, -0.0003190800000000, 0.0003046500000000 ] - [ -0.0011793200000000, -0.0006878200000000, 0.0002578400000000 ] - [ -0.0000555100000000, -0.0004176900000000, 0.0001033300000000 ] - [ 0.0005087500000000, -0.0004907900000000, 0.0002046600000000 ] - [ 0.0002710900000000, -0.0002142500000000, 0.0000268000000000 ] - [ -0.0005039100000000, -0.0001938600000000, 0.0003717500000000 ] - [ 0.0001243100000000, 0.0000589200000000, 0.0000700900000000 ] - [ -0.0001167200000000, 0.0000913700000000, -0.0002667400000000 ] - [ 0.0003993400000000, -0.0019284300000000, 0.0015785900000000 ] - [ 0.0002435100000000, -0.0003382200000000, -0.0001612300000000 ] - [ 0.0038483800000000, 0.0011896200000000, -0.0067601900000000 ] - [ 0.0000410900000000, -0.0003158200000000, -0.0004462100000000 ] - [ 0.0006534600000000, 0.0000769600000000, -0.0000394300000000 ] - [ 0.0000155500000000, 0.0002687000000000, -0.0001390300000000 ] - [ -0.0001151500000000, 0.0001204400000000, -0.0005725200000000 ] - [ -0.0005811700000000, 0.0001851100000000, -0.0000088900000000 ] - [ 0.0004063300000000, -0.0001476700000000, 0.0001485400000000 ] - [ -0.0002947700000000, 0.0000642100000000, -0.0005596700000000 ] - [ 0.0004223800000000, 0.0001626600000000, -0.0003686700000000 ] - [ 0.0003278200000000, -0.0004402200000000, -0.0001972700000000 ] - [ 0.0004958800000000, 0.0001600100000000, -0.0005620200000000 ] - [ 0.0003647500000000, -0.0002772500000000, 0.0003857500000000 ] - [ 0.0006558700000000, 0.0000528700000000, -0.0004998400000000 ] - [ -0.0001855400000000, 0.0000249400000000, 0.0001137300000000 ] - [ -0.0008468500000000, 0.0001268800000000, 0.0004621500000000 ] - [ -0.0002744800000000, 0.0001362900000000, -0.0002144300000000 ] - [ -0.0004317500000000, -0.0003833000000000, 0.0000112700000000 ] - [ 0.0022069800000000, 0.0195071800000000, -0.0053207700000000 ] - [ -0.0009610900000000, 0.0004078000000000, -0.0006192500000000 ] - [ -0.0000492700000000, 0.0048641900000000, -0.0091362500000000 ] - [ -0.0005247700000000, -0.0003982800000000, 0.0000461000000000 ] - [ -0.0001429100000000, -0.0002561600000000, -0.0002372700000000 ] - [ 0.0009707400000000, 0.0007744300000000, 0.0041195900000000 ] - [ 0.0011752800000000, 0.0004050100000000, 0.0004992500000000 ] - [ -0.0003085600000000, 0.0001760000000000, -0.0006202200000000 ] - [ 0.0001466800000000, 0.0000732100000000, -0.0002954500000000 ] - [ -0.0001199600000000, -0.0000464800000000, -0.0000114800000000 ] - [ -0.0004070400000000, 0.0000164200000000, -0.0005619100000000 ] - [ 0.0003518600000000, -0.0034844900000000, -0.0007588500000000 ] - [ -0.0300688200000000, -0.0660111000000000, 0.0193447000000000 ] - [ 0.0001550900000000, -0.0019720400000000, 0.0004902900000000 ] - [ 0.0002110700000000, -0.0000896400000000, -0.0000800400000000 ] - [ -0.0011968600000000, -0.0004076400000000, -0.0003731100000000 ] - [ 0.0006882600000000, -0.0002019900000000, -0.0007950200000000 ] - [ 0.0010730200000000, 0.0004543600000000, -0.0012773100000000 ] - [ -0.0000447600000000, 0.0002157600000000, 0.0000809900000000 ] - [ -0.0011404100000000, 0.0095860800000000, -0.0075167000000000 ] - [ 0.0001490800000000, 0.0000923100000000, -0.0010492000000000 ] - [ -0.0005669600000000, 0.0003551000000000, 0.0003623200000000 ] - [ -0.0005907600000000, -0.0004736000000000, -0.0010174200000000 ] - [ 0.0004520400000000, 0.0000987800000000, -0.0009395800000000 ] - [ 0.0028061800000000, -0.0021461800000000, -0.0001765900000000 ] - [ -0.0006357200000000, 0.0001176000000000, -0.0001024600000000 ] - [ -0.0001048800000000, -0.0008946100000000, -0.0000426400000000 ] - [ -0.0002320400000000, 0.0001728400000000, -0.0003832300000000 ] - [ 0.0009094400000000, 0.0002634300000000, -0.0003088800000000 ] - [ -0.0004068100000000, 0.0002822600000000, 0.0002360300000000 ] - [ -0.0000086600000000, 0.0001250300000000, 0.0000471400000000 ] - [ -0.0003016100000000, 0.0004066100000000, -0.0004161300000000 ] - [ -0.0002656600000000, 0.0000160400000000, 0.0001348000000000 ] - [ 0.0006594900000000, 0.0003402400000000, -0.0003288400000000 ] - [ -0.0058482100000000, -0.0067730800000000, 0.0066950100000000 ] - [ 0.0005110900000000, -0.0000686000000000, -0.0000027400000000 ] - [ -0.0006521700000000, -0.0000473800000000, -0.0001185600000000 ] - [ 0.0006018300000000, 0.0007687200000000, -0.0012910400000000 ] - [ -0.0007406100000000, 0.0003450400000000, -0.0000865700000000 ] - [ -0.0015231000000000, 0.0037039200000000, -0.0022787900000000 ] - [ 0.0008021000000000, 0.0002113000000000, -0.0004343000000000 ] - [ -0.0002536500000000, 0.0001949400000000, 0.0000899100000000 ] - [ -0.0002472300000000, -0.0000025800000000, -0.0000478200000000 ] - [ 0.0004698200000000, 0.0000665300000000, 0.0000974400000000 ] - [ 0.0010585000000000, -0.0000798800000000, -0.0001599200000000 ] - [ 0.0001997600000000, -0.0001569300000000, -0.0000587700000000 ]- atom: 79 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006097700000000, 0.0003299100000000, -0.0006172700000000 ] - [ -0.0012759000000000, 0.0000600600000000, -0.0004828500000000 ] - [ 0.0002393400000000, 0.0018017600000000, -0.0025763500000000 ] - [ -0.0002723200000000, -0.0000066300000000, 0.0003077100000000 ] - [ -0.0075389000000000, -0.0090188900000000, -0.0008854600000000 ] - [ -0.0005446400000000, 0.0002867800000000, 0.0007474900000000 ] - [ 0.0003356500000000, -0.0001391800000000, -0.0006728700000000 ] - [ 0.0006798600000000, -0.0000217300000000, -0.0005253700000000 ] - [ 0.0002060300000000, 0.0004837000000000, -0.0011041600000000 ] - [ 0.0006594800000000, -0.0000496500000000, -0.0006610400000000 ] - [ -0.0003177100000000, 0.0003437200000000, -0.0010224200000000 ] - [ 0.0028038300000000, -0.0044970100000000, -0.0002432800000000 ] - [ 0.0002909600000000, -0.0001785800000000, 0.0000523000000000 ] - [ 0.0014400200000000, 0.0002975400000000, -0.0000605600000000 ] - [ -0.0005707500000000, -0.0001422400000000, -0.0010541200000000 ] - [ -0.0039260500000000, -0.0008849900000000, -0.0022331200000000 ] - [ 0.0002603500000000, -0.0002240600000000, 0.0000276800000000 ] - [ -0.0001559100000000, 0.0000667500000000, 0.0005188300000000 ] - [ 0.0008631900000000, 0.0002477500000000, 0.0005034600000000 ] - [ -0.0002244100000000, -0.0002469800000000, -0.0001271500000000 ] - [ -0.0003634400000000, -0.0005522900000000, 0.0001546600000000 ] - [ -0.0008410000000000, 0.0000047700000000, -0.0005079600000000 ] - [ 0.0005119300000000, 0.0000956700000000, 0.0001632000000000 ] - [ 0.0013063400000000, 0.0002416700000000, -0.0004450400000000 ] - [ -0.0004273300000000, 0.0007757000000000, 0.0006305300000000 ] - [ -0.0031205500000000, -0.0015161600000000, -0.0015845700000000 ] - [ 0.0013685400000000, -0.0013905900000000, 0.0005624800000000 ] - [ 0.0008040800000000, 0.0005660500000000, -0.0002318700000000 ] - [ -0.0008750200000000, 0.0001007600000000, -0.0000246800000000 ] - [ 0.0001226400000000, 0.0001444600000000, -0.0113599700000000 ] - [ 0.0016693900000000, -0.0008722300000000, -0.0013712600000000 ] - [ 0.0018769200000000, 0.0001662600000000, -0.0013468300000000 ] - [ -0.0006340200000000, 0.0007524000000000, -0.0010134500000000 ] - [ -0.0008044800000000, 0.0000666500000000, -0.0000619700000000 ] - [ -0.0009171600000000, -0.0003473500000000, 0.0002275300000000 ] - [ 0.0001522400000000, -0.0005412300000000, -0.0010011300000000 ] - [ 0.0013455400000000, -0.0000817900000000, 0.0002834900000000 ] - [ -0.0202895500000000, -0.0278814500000000, 0.0180787700000000 ] - [ -0.0002112200000000, 0.0001919200000000, -0.0015484600000000 ] - [ -0.0003646000000000, -0.0001541300000000, -0.0002455500000000 ] - [ 0.0008530300000000, 0.0008350600000000, -0.0004127000000000 ] - [ -0.0001944900000000, -0.0003730600000000, 0.0002068000000000 ] - [ -0.0002501900000000, -0.0003110900000000, -0.0005018800000000 ] - [ 0.0001291300000000, -0.0002249300000000, 0.0002837000000000 ] - [ 0.0000973000000000, -0.0002406600000000, -0.0006842200000000 ] - [ 0.0001926100000000, 0.0000985400000000, 0.0000779400000000 ] - [ -0.0001948500000000, 0.0000650300000000, 0.0001095400000000 ] - [ -0.0006672100000000, 0.0011542300000000, -0.0012515700000000 ] - [ 0.0000125300000000, -0.0004573000000000, -0.0001421200000000 ] - [ -0.0034275500000000, -0.0016263100000000, 0.0070084100000000 ] - [ -0.0004397500000000, -0.0001199400000000, 0.0001255200000000 ] - [ -0.0003310100000000, 0.0000820400000000, 0.0001863700000000 ] - [ 0.0005040000000000, 0.0003088000000000, 0.0000547800000000 ] - [ 0.0005483300000000, 0.0002786000000000, -0.0006292100000000 ] - [ 0.0005955000000000, 0.0002860300000000, 0.0009911500000000 ] - [ 0.0000880600000000, 0.0000060200000000, 0.0001763200000000 ] - [ 0.0001939500000000, -0.0000786000000000, 0.0000273700000000 ] - [ -0.0008556100000000, 0.0002357200000000, 0.0015674800000000 ] - [ 0.0000586100000000, -0.0004360300000000, 0.0002130000000000 ] - [ 0.0003116800000000, 0.0000876400000000, 0.0002703700000000 ] - [ 0.0001810300000000, -0.0001888500000000, -0.0001544300000000 ] - [ -0.0010337200000000, 0.0001798800000000, 0.0010356200000000 ] - [ 0.0003055700000000, 0.0001600200000000, -0.0000724600000000 ] - [ 0.0000377000000000, 0.0001207800000000, -0.0001684100000000 ] - [ 0.0011674600000000, -0.0001484300000000, 0.0002416100000000 ] - [ 0.0000474800000000, -0.0004939400000000, -0.0000262100000000 ] - [ -0.0021680500000000, -0.0190333100000000, 0.0052752600000000 ] - [ 0.0004386400000000, 0.0001690400000000, 0.0007038600000000 ] - [ -0.0003042800000000, -0.0049628600000000, 0.0097782000000000 ] - [ 0.0009252700000000, 0.0008483800000000, -0.0004609500000000 ] - [ -0.0003964600000000, -0.0002084500000000, 0.0000099700000000 ] - [ -0.0009741700000000, -0.0004833600000000, -0.0042095800000000 ] - [ -0.0020719800000000, -0.0004204600000000, -0.0005343000000000 ] - [ 0.0002905800000000, 0.0002944300000000, -0.0003624200000000 ] - [ -0.0002642800000000, 0.0001104400000000, 0.0002545700000000 ] - [ -0.0003662600000000, -0.0000919000000000, -0.0003102500000000 ] - [ 0.0007805900000000, 0.0002140600000000, 0.0000199600000000 ] - [ -0.0007587600000000, 0.0039020300000000, 0.0012250500000000 ] - [ 0.0290773000000000, 0.0650219000000000, -0.0198757900000000 ] - [ 0.0005559100000000, 0.0017685700000000, -0.0006547300000000 ] - [ 0.0001405500000000, -0.0000395500000000, -0.0006148600000000 ] - [ 0.0012917000000000, 0.0003920300000000, 0.0009033900000000 ] - [ -0.0001630900000000, 0.0007734000000000, 0.0006977100000000 ] - [ -0.0006296900000000, -0.0000545500000000, 0.0000643700000000 ] - [ 0.0000612800000000, 0.0002548000000000, 0.0008970400000000 ] - [ 0.0015314500000000, -0.0097723200000000, 0.0080414700000000 ] - [ -0.0002491000000000, -0.0001041400000000, 0.0005062500000000 ] - [ 0.0001250000000000, 0.0000464300000000, 0.0008408700000000 ] - [ 0.0009577100000000, -0.0004081600000000, 0.0010292600000000 ] - [ 0.0003547300000000, 0.0001494400000000, 0.0006335800000000 ] - [ -0.0022731000000000, 0.0016612200000000, 0.0004042800000000 ] - [ 0.0002520000000000, 0.0001141100000000, 0.0006401800000000 ] - [ 0.0002423800000000, 0.0010937300000000, 0.0000670500000000 ] - [ -0.0005673100000000, 0.0000763900000000, 0.0006620500000000 ] - [ -0.0000036800000000, -0.0002719000000000, 0.0003307000000000 ] - [ 0.0000186900000000, -0.0011502800000000, -0.0002524600000000 ] - [ 0.0000401100000000, 0.0001580100000000, 0.0001119800000000 ] - [ -0.0002184900000000, 0.0001724900000000, 0.0004956600000000 ] - [ -0.0000808200000000, -0.0001471400000000, 0.0005677200000000 ] - [ -0.0002510300000000, 0.0001171100000000, -0.0000949100000000 ] - [ 0.0053761600000000, 0.0062675800000000, -0.0069981100000000 ] - [ -0.0005337300000000, 0.0003482100000000, -0.0001547700000000 ] - [ -0.0002504900000000, 0.0000363200000000, 0.0000937700000000 ] - [ -0.0006122900000000, -0.0002922900000000, 0.0002963300000000 ] - [ 0.0006074500000000, -0.0001521200000000, 0.0000329200000000 ] - [ 0.0010702600000000, -0.0038203100000000, 0.0019445600000000 ] - [ -0.0004193200000000, 0.0000218000000000, -0.0001115100000000 ] - [ -0.0001484100000000, 0.0002599600000000, 0.0003306500000000 ] - [ -0.0004686600000000, -0.0001773100000000, 0.0002141800000000 ] - [ 0.0002525100000000, -0.0002463300000000, -0.0002638800000000 ] - [ -0.0007029400000000, -0.0000529100000000, -0.0005431000000000 ] - [ -0.0000950800000000, 0.0001414100000000, 0.0005865900000000 ]- atom: 79 displacement: [ -0.0057565208649526, 0.0000000000000000, 0.0081769473235044 ] forces: - [ -0.0016083600000000, 0.0002864900000000, -0.0006255200000000 ] - [ -0.0022743500000000, 0.0002321600000000, -0.0005586700000000 ] - [ -0.0049643400000000, -0.0003605700000000, -0.0052286600000000 ] - [ 0.0003912000000000, -0.0000145100000000, 0.0001821200000000 ] - [ -0.0067331500000000, 0.0067906300000000, 0.0223587000000000 ] - [ -0.0019956200000000, 0.0000689600000000, 0.0006175500000000 ] - [ -0.0012415300000000, -0.0003168000000000, -0.0017039000000000 ] - [ 0.0014360900000000, 0.0000110300000000, -0.0015560100000000 ] - [ 0.0024751600000000, 0.0006012800000000, -0.0048594800000000 ] - [ 0.0033485400000000, -0.0002431400000000, -0.0052299000000000 ] - [ 0.0006100600000000, 0.0003759000000000, -0.0022685600000000 ] - [ 0.0009656500000000, 0.0002521600000000, 0.0019812300000000 ] - [ 0.0013274500000000, -0.0001558900000000, -0.0001786900000000 ] - [ 0.0035429400000000, 0.0001338900000000, -0.0026989800000000 ] - [ -0.0002111300000000, 0.0005611700000000, -0.0045408700000000 ] - [ -0.0100429700000000, 0.0017280300000000, -0.0040293500000000 ] - [ 0.0003331900000000, -0.0004154500000000, 0.0003296200000000 ] - [ -0.0000096800000000, 0.0004016100000000, 0.0014793900000000 ] - [ 0.0014413700000000, 0.0005456500000000, 0.0009828500000000 ] - [ 0.0001189500000000, -0.0004276700000000, 0.0000013600000000 ] - [ -0.0016731700000000, -0.0002325100000000, 0.0000701000000000 ] - [ -0.0009859500000000, -0.0001520000000000, -0.0012714900000000 ] - [ 0.0002799500000000, 0.0000029400000000, -0.0000355200000000 ] - [ 0.0015275200000000, 0.0006680300000000, -0.0027586100000000 ] - [ 0.0010499100000000, 0.0009617300000000, 0.0007845700000000 ] - [ -0.0047208400000000, -0.0017378000000000, -0.0006997100000000 ] - [ -0.0011395100000000, 0.0000916600000000, 0.0016155800000000 ] - [ 0.0015903100000000, 0.0004788100000000, -0.0004227400000000 ] - [ -0.0010095500000000, 0.0000426200000000, 0.0006602100000000 ] - [ -0.0210164800000000, 0.0126227300000000, -0.0059470400000000 ] - [ 0.0046308700000000, -0.0013205800000000, -0.0042895800000000 ] - [ 0.0009061900000000, -0.0010299300000000, -0.0055537700000000 ] - [ 0.0009171800000000, -0.0015280800000000, -0.0074909600000000 ] - [ -0.0021228100000000, 0.0002713900000000, -0.0016008400000000 ] - [ 0.0020371600000000, 0.0000621200000000, 0.0067730000000000 ] - [ 0.0025341200000000, -0.0002972700000000, -0.0020775500000000 ] - [ 0.0028628400000000, -0.0001330500000000, -0.0005230000000000 ] - [ -0.0877581900000000, -0.0368521600000000, 0.0917044300000000 ] - [ 0.0048498400000000, -0.0005738000000000, -0.0015119200000000 ] - [ 0.0004531200000000, -0.0000871000000000, -0.0005118100000000 ] - [ 0.0018366800000000, 0.0003591200000000, -0.0013590900000000 ] - [ -0.0005433200000000, -0.0003217700000000, 0.0001354800000000 ] - [ -0.0010395300000000, -0.0004005700000000, -0.0007003000000000 ] - [ 0.0000968600000000, -0.0002437600000000, 0.0002424000000000 ] - [ 0.0000505300000000, -0.0001946800000000, -0.0011956900000000 ] - [ 0.0005800000000000, 0.0000225000000000, -0.0001998500000000 ] - [ -0.0007732300000000, -0.0000001200000000, 0.0004801500000000 ] - [ -0.0013158100000000, 0.0005102900000000, -0.0021266500000000 ] - [ -0.0004115000000000, -0.0005837000000000, -0.0006983200000000 ] - [ -0.0068672500000000, -0.0021218200000000, 0.0123971600000000 ] - [ -0.0011865500000000, 0.0001357400000000, -0.0003449300000000 ] - [ -0.0012694800000000, 0.0001286700000000, 0.0010680500000000 ] - [ 0.0010259100000000, 0.0002431800000000, 0.0000136800000000 ] - [ 0.0007936600000000, 0.0003011300000000, -0.0004027800000000 ] - [ 0.0016238100000000, -0.0002584800000000, 0.0008650500000000 ] - [ -0.0003295700000000, 0.0002264600000000, 0.0002301300000000 ] - [ 0.0011868800000000, -0.0001742500000000, 0.0003549900000000 ] - [ -0.0006735000000000, 0.0001980800000000, 0.0028439900000000 ] - [ 0.0001905400000000, -0.0003997900000000, 0.0006455400000000 ] - [ 0.0006590500000000, -0.0000061700000000, 0.0002945300000000 ] - [ -0.0003755500000000, -0.0000764400000000, -0.0003694200000000 ] - [ 0.0008530600000000, 0.0002690100000000, 0.0026463900000000 ] - [ 0.0002927100000000, 0.0001341100000000, -0.0001414000000000 ] - [ 0.0004648000000000, 0.0001575700000000, -0.0006261000000000 ] - [ 0.0021626200000000, -0.0005309300000000, 0.0015195200000000 ] - [ 0.0000428900000000, -0.0004691100000000, -0.0000869700000000 ] - [ 0.0034569500000000, -0.0059237300000000, 0.0000841400000000 ] - [ 0.0014955700000000, 0.0006328800000000, 0.0004851200000000 ] - [ 0.0029673200000000, -0.0025560400000000, 0.0050796300000000 ] - [ 0.0021384100000000, 0.0010882100000000, -0.0006806900000000 ] - [ -0.0007363400000000, -0.0002534800000000, 0.0001746200000000 ] - [ 0.0022451600000000, -0.0016624200000000, -0.0022814500000000 ] - [ 0.0007653000000000, 0.0025490400000000, 0.0050266100000000 ] - [ 0.0008585000000000, 0.0004513400000000, -0.0004150900000000 ] - [ -0.0002793500000000, 0.0001416400000000, 0.0006813400000000 ] - [ -0.0010562400000000, -0.0003468800000000, -0.0004900100000000 ] - [ 0.0016559000000000, 0.0004174900000000, 0.0006450100000000 ] - [ 0.0093343200000000, -0.0030317500000000, 0.0191581600000000 ] - [ 0.1092737200000000, 0.0347876600000000, -0.1559723000000000 ] - [ 0.0036974000000000, -0.0006664000000000, -0.0046330500000000 ] - [ 0.0011726600000000, -0.0000966800000000, -0.0004258400000000 ] - [ 0.0023286200000000, 0.0005200200000000, 0.0010550800000000 ] - [ -0.0011998500000000, 0.0014646600000000, 0.0025690100000000 ] - [ -0.0018060000000000, -0.0001477500000000, 0.0025421700000000 ] - [ -0.0007279900000000, 0.0005396000000000, 0.0020562700000000 ] - [ 0.0128772200000000, -0.0093119200000000, 0.0010600700000000 ] - [ -0.0014981000000000, -0.0004195500000000, 0.0015475900000000 ] - [ 0.0001130200000000, -0.0001266800000000, 0.0017976600000000 ] - [ 0.0019937200000000, 0.0001360300000000, 0.0022140800000000 ] - [ -0.0009320800000000, -0.0000730700000000, 0.0042515700000000 ] - [ -0.0106624700000000, -0.0013508600000000, -0.0041376300000000 ] - [ 0.0005443800000000, 0.0001863400000000, 0.0015194600000000 ] - [ -0.0041510000000000, -0.0023806000000000, 0.0028380800000000 ] - [ -0.0033542900000000, 0.0004201200000000, 0.0040556600000000 ] - [ -0.0003074400000000, -0.0008951500000000, 0.0013097900000000 ] - [ -0.0047146700000000, 0.0027267100000000, 0.0025305200000000 ] - [ -0.0004589900000000, -0.0000590200000000, 0.0001439900000000 ] - [ -0.0009980100000000, -0.0002069500000000, 0.0017453200000000 ] - [ -0.0006368400000000, -0.0002959700000000, 0.0007782400000000 ] - [ -0.0009080400000000, -0.0002285400000000, 0.0006509800000000 ] - [ 0.0016864100000000, 0.0030304000000000, 0.0210210200000000 ] - [ -0.0012671400000000, 0.0006904900000000, 0.0000538400000000 ] - [ -0.0003757700000000, 0.0002667200000000, 0.0004170600000000 ] - [ -0.0019181600000000, -0.0009399500000000, 0.0022487100000000 ] - [ 0.0007178400000000, -0.0007021000000000, 0.0039151900000000 ] - [ -0.0024683500000000, 0.0027140100000000, -0.0052479400000000 ] - [ -0.0005087400000000, 0.0000259500000000, 0.0015110600000000 ] - [ -0.0005143200000000, 0.0004271300000000, 0.0006154600000000 ] - [ -0.0009476000000000, -0.0002610200000000, 0.0004751300000000 ] - [ -0.0003696100000000, -0.0001759000000000, 0.0001180300000000 ] - [ -0.0017737200000000, 0.0003244100000000, 0.0000333500000000 ] - [ -0.0019479600000000, 0.0003546200000000, 0.0010218000000000 ]- atom: 79 displacement: [ 0.0057565208649526, 0.0000000000000000, -0.0081769473235044 ] forces: - [ 0.0016022400000000, 0.0005787700000000, 0.0006125000000000 ] - [ 0.0017377600000000, -0.0003748000000000, -0.0001533400000000 ] - [ 0.0047638100000000, 0.0009931900000000, 0.0039718700000000 ] - [ -0.0006348700000000, 0.0000808100000000, 0.0002407400000000 ] - [ 0.0067719600000000, -0.0072358100000000, -0.0223732500000000 ] - [ 0.0022232100000000, 0.0005301500000000, 0.0006068900000000 ] - [ 0.0017707400000000, 0.0001726100000000, 0.0023980500000000 ] - [ -0.0012017100000000, 0.0000552600000000, 0.0011339000000000 ] - [ -0.0024774200000000, 0.0002616300000000, 0.0048628800000000 ] - [ -0.0038693900000000, 0.0000990400000000, 0.0045496100000000 ] - [ -0.0008540000000000, 0.0002246100000000, 0.0010391600000000 ] - [ -0.0005709100000000, -0.0006039500000000, -0.0022666300000000 ] - [ -0.0013325700000000, -0.0002919400000000, 0.0001798500000000 ] - [ -0.0033007400000000, 0.0004672100000000, 0.0039328400000000 ] - [ 0.0007296100000000, -0.0007013800000000, 0.0052370800000000 ] - [ 0.0102351200000000, -0.0016434900000000, 0.0035958500000000 ] - [ 0.0001629100000000, 0.0000057700000000, -0.0002311000000000 ] - [ -0.0004845700000000, -0.0008736000000000, -0.0015701800000000 ] - [ -0.0009346800000000, -0.0009447400000000, -0.0008757400000000 ] - [ -0.0006148800000000, -0.0000503600000000, -0.0000978600000000 ] - [ 0.0014758700000000, -0.0009448600000000, 0.0006802600000000 ] - [ 0.0003522200000000, 0.0001992900000000, 0.0006963500000000 ] - [ 0.0004171900000000, 0.0002012200000000, 0.0010473100000000 ] - [ -0.0008925600000000, -0.0006200800000000, 0.0033313700000000 ] - [ -0.0021344200000000, 0.0001876300000000, -0.0007395800000000 ] - [ 0.0048753200000000, 0.0005512800000000, -0.0000865100000000 ] - [ 0.0018124200000000, -0.0005684100000000, -0.0016647800000000 ] - [ -0.0005211400000000, 0.0006690400000000, 0.0003834600000000 ] - [ 0.0003018900000000, 0.0001621700000000, -0.0016766300000000 ] - [ 0.0204707200000000, -0.0130510400000000, 0.0057568400000000 ] - [ -0.0048078600000000, 0.0001412000000000, 0.0050357700000000 ] - [ -0.0014913900000000, 0.0010835600000000, 0.0049917300000000 ] - [ -0.0001961100000000, 0.0017218000000000, 0.0084621800000000 ] - [ 0.0027334400000000, -0.0002240200000000, 0.0021654500000000 ] - [ -0.0030672600000000, 0.0010967700000000, -0.0067574700000000 ] - [ -0.0023507000000000, -0.0008804300000000, 0.0013176900000000 ] - [ -0.0021953000000000, -0.0003383700000000, 0.0004748100000000 ] - [ 0.0838981200000000, 0.0348907900000000, -0.0860405500000000 ] - [ -0.0055692100000000, 0.0007869700000000, 0.0004841100000000 ] - [ -0.0011240500000000, -0.0003849400000000, 0.0005633900000000 ] - [ -0.0021318700000000, -0.0001995200000000, 0.0011948400000000 ] - [ 0.0003021600000000, -0.0004698800000000, 0.0001778700000000 ] - [ 0.0012730500000000, -0.0004007000000000, 0.0003910500000000 ] - [ 0.0003118300000000, -0.0001897600000000, 0.0000775400000000 ] - [ -0.0004633100000000, -0.0002340400000000, 0.0008642200000000 ] - [ -0.0002697400000000, 0.0001326800000000, 0.0003609600000000 ] - [ 0.0004671100000000, 0.0001538800000000, -0.0006449000000000 ] - [ 0.0010755900000000, -0.0013049700000000, 0.0024329100000000 ] - [ 0.0006554000000000, -0.0002151500000000, 0.0003958400000000 ] - [ 0.0072024700000000, 0.0016786000000000, -0.0120037000000000 ] - [ 0.0007723400000000, -0.0005679600000000, 0.0000286300000000 ] - [ 0.0015777500000000, 0.0000278500000000, -0.0009047200000000 ] - [ -0.0005034900000000, 0.0003356400000000, -0.0000949600000000 ] - [ -0.0003516500000000, 0.0001001100000000, -0.0008000800000000 ] - [ -0.0016058900000000, 0.0007331700000000, 0.0001284800000000 ] - [ 0.0008229600000000, -0.0003678200000000, 0.0000951700000000 ] - [ -0.0012869400000000, 0.0001584500000000, -0.0008806800000000 ] - [ 0.0002258400000000, 0.0002021200000000, -0.0016325500000000 ] - [ 0.0001918200000000, -0.0004741900000000, -0.0006274700000000 ] - [ 0.0001451400000000, 0.0002530700000000, -0.0005761700000000 ] - [ 0.0009209100000000, -0.0003893000000000, 0.0005962100000000 ] - [ -0.0012533700000000, -0.0000368600000000, -0.0021010500000000 ] - [ -0.0001661300000000, 0.0000505600000000, 0.0001822500000000 ] - [ -0.0012659700000000, 0.0000897300000000, 0.0009144600000000 ] - [ -0.0012541200000000, 0.0005173800000000, -0.0014885400000000 ] - [ -0.0004206900000000, -0.0004072300000000, 0.0000730800000000 ] - [ -0.0035184700000000, 0.0062252400000000, 0.0001452100000000 ] - [ -0.0020136100000000, -0.0000615800000000, -0.0003858400000000 ] - [ -0.0033268800000000, 0.0023440900000000, -0.0042175100000000 ] - [ -0.0017311300000000, -0.0006304000000000, 0.0002584600000000 ] - [ 0.0001965000000000, -0.0002106700000000, -0.0004011600000000 ] - [ -0.0022791200000000, 0.0019358500000000, 0.0020842100000000 ] - [ -0.0017099800000000, -0.0025741400000000, -0.0050855100000000 ] - [ -0.0008711400000000, 0.0000199400000000, -0.0005635900000000 ] - [ 0.0001565800000000, 0.0000403500000000, -0.0007185700000000 ] - [ 0.0005691600000000, 0.0002086700000000, 0.0001652700000000 ] - [ -0.0012676600000000, -0.0001842800000000, -0.0011816800000000 ] - [ -0.0098934800000000, 0.0035118900000000, -0.0190096800000000 ] - [ -0.1057486800000000, -0.0313957400000000, 0.1510138300000000 ] - [ -0.0030196300000000, 0.0005009400000000, 0.0044483800000000 ] - [ -0.0008252900000000, -0.0000350900000000, -0.0002773600000000 ] - [ -0.0022118500000000, -0.0005285300000000, -0.0005127300000000 ] - [ 0.0017178600000000, -0.0008841600000000, -0.0026559000000000 ] - [ 0.0022373900000000, 0.0005439500000000, -0.0037512000000000 ] - [ 0.0007459600000000, -0.0000699100000000, -0.0010712900000000 ] - [ -0.0122350100000000, 0.0090541400000000, -0.0007352300000000 ] - [ 0.0013932200000000, 0.0004068500000000, -0.0020796200000000 ] - [ -0.0005470000000000, 0.0005248000000000, -0.0005911600000000 ] - [ -0.0016064800000000, -0.0010064800000000, -0.0021928600000000 ] - [ 0.0017347200000000, 0.0003149200000000, -0.0045243100000000 ] - [ 0.0112936600000000, 0.0009015300000000, 0.0044155000000000 ] - [ -0.0009175600000000, 0.0000448600000000, -0.0009723100000000 ] - [ 0.0042886000000000, 0.0025805700000000, -0.0028136400000000 ] - [ 0.0025608700000000, -0.0001780800000000, -0.0037805600000000 ] - [ 0.0012047300000000, 0.0008835400000000, -0.0012863400000000 ] - [ 0.0043738700000000, -0.0036432300000000, -0.0025785300000000 ] - [ 0.0004972000000000, 0.0003442100000000, 0.0000176300000000 ] - [ 0.0004814500000000, 0.0007844500000000, -0.0016581200000000 ] - [ 0.0002954400000000, 0.0001630900000000, -0.0000728600000000 ] - [ 0.0013071700000000, 0.0006839600000000, -0.0010738200000000 ] - [ -0.0022134300000000, -0.0034060200000000, -0.0208175200000000 ] - [ 0.0012312800000000, -0.0004068400000000, -0.0002151300000000 ] - [ -0.0005212800000000, -0.0002773100000000, -0.0004384100000000 ] - [ 0.0018990000000000, 0.0014055800000000, -0.0032310500000000 ] - [ -0.0008428400000000, 0.0008768600000000, -0.0039266300000000 ] - [ 0.0019474900000000, -0.0028936500000000, 0.0049746000000000 ] - [ 0.0008792900000000, 0.0002059600000000, -0.0020600000000000 ] - [ 0.0001166100000000, 0.0000268000000000, -0.0001936800000000 ] - [ 0.0002348300000000, 0.0000806000000000, -0.0003063200000000 ] - [ 0.0010886700000000, -0.0000064800000000, -0.0002908900000000 ] - [ 0.0021138800000000, -0.0004585000000000, -0.0007395300000000 ] - [ 0.0020550800000000, -0.0003669600000000, -0.0004896000000000 ]