# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/dbe2ae92-579b-47dd-9581-a79eedb3e6cf/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 Hf3SnO8 / P2 (3) / materials id 761842](https://mdr.nims.go.jp/datasets/6b53e889-e190-4294-b495-30196e016d91) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P2" number: 3 Hall_symbol: "P 2y"supercell_matrix:- [ 3, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 4.873401880000000, 0.000000000000000, -0.003438900000000 ] # a - [ 0.000000000000000, 5.695739280000000, 0.000000000000000 ] # b - [ -0.037618950000000, 0.000000000000000, 5.190472340000000 ] # c points: - symbol: Hf # 1 coordinates: [ 0.000000000000000, 0.817347610000000, 0.000000000000000 ] mass: 178.490000 - symbol: Hf # 2 coordinates: [ 0.500000000000000, 0.319257420000000, 0.000000000000000 ] mass: 178.490000 - symbol: Hf # 3 coordinates: [ 0.500000000000000, 0.677382070000000, 0.500000000000000 ] mass: 178.490000 - symbol: Sn # 4 coordinates: [ 0.000000000000000, 0.172987980000000, 0.500000000000000 ] mass: 118.710000 - symbol: O # 5 coordinates: [ 0.774128360000000, 0.106408080000000, 0.826896200000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.772013380000000, 0.896255330000000, 0.323024970000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.720989710000000, 0.605994300000000, 0.828742430000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.729666320000000, 0.397854770000000, 0.327576270000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.270333680000000, 0.397854770000000, 0.672423730000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.279010290000000, 0.605994300000000, 0.171257570000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.225871640000000, 0.106408080000000, 0.173103800000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.227986620000000, 0.896255330000000, 0.676975030000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.205196521641442, 0.000000000000000, 0.001487201391734 ] # a* - [ 0.000000000000000, 0.175569834018105, 0.000000000000000 ] # b* - [ 0.000135951079603, 0.000000000000000, 0.192661678712821 ] # c*unit_cell: lattice: - [ 4.873401880000000, 0.000000000000000, -0.003438900000000 ] # a - [ 0.000000000000000, 5.695739280000000, 0.000000000000000 ] # b - [ -0.037618950000000, 0.000000000000000, 5.190472340000000 ] # c points: - symbol: Hf # 1 coordinates: [ 0.000000000000000, 0.817347610000000, 0.000000000000000 ] mass: 178.490000 reduced_to: 1 - symbol: Hf # 2 coordinates: [ 0.500000000000000, 0.319257420000000, 0.000000000000000 ] mass: 178.490000 reduced_to: 2 - symbol: Hf # 3 coordinates: [ 0.500000000000000, 0.677382070000000, 0.500000000000000 ] mass: 178.490000 reduced_to: 3 - symbol: Sn # 4 coordinates: [ 0.000000000000000, 0.172987980000000, 0.500000000000000 ] mass: 118.710000 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.774128360000000, 0.106408080000000, 0.826896200000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.772013380000000, 0.896255330000000, 0.323024970000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.720989710000000, 0.605994300000000, 0.828742430000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.729666320000000, 0.397854770000000, 0.327576270000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.270333680000000, 0.397854770000000, 0.672423730000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.279010290000000, 0.605994300000000, 0.171257570000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.225871640000000, 0.106408080000000, 0.173103800000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.227986620000000, 0.896255330000000, 0.676975030000000 ] mass: 15.999400 reduced_to: 12supercell: lattice: - [ 14.620205640000002, 0.000000000000000, -0.010316700000000 ] # a - [ 0.000000000000000, 11.391478559999999, 0.000000000000000 ] # b - [ -0.075237900000000, 0.000000000000000, 10.380944680000001 ] # c points: - symbol: Hf # 1 coordinates: [ 0.000000000000000, 0.408673805000000, 0.000000000000000 ] mass: 178.490000 reduced_to: 1 - symbol: Hf # 2 coordinates: [ 0.333333333333333, 0.408673805000000, 0.000000000000000 ] mass: 178.490000 reduced_to: 1 - symbol: Hf # 3 coordinates: [ 0.666666666666667, 0.408673805000000, 0.000000000000000 ] mass: 178.490000 reduced_to: 1 - symbol: Hf # 4 coordinates: [ 0.000000000000000, 0.908673805000000, 0.000000000000000 ] mass: 178.490000 reduced_to: 1 - symbol: Hf # 5 coordinates: [ 0.333333333333333, 0.908673805000000, 0.000000000000000 ] mass: 178.490000 reduced_to: 1 - symbol: Hf # 6 coordinates: [ 0.666666666666667, 0.908673805000000, 0.000000000000000 ] mass: 178.490000 reduced_to: 1 - symbol: Hf # 7 coordinates: [ 0.000000000000000, 0.408673805000000, 0.500000000000000 ] mass: 178.490000 reduced_to: 1 - symbol: Hf # 8 coordinates: [ 0.333333333333333, 0.408673805000000, 0.500000000000000 ] mass: 178.490000 reduced_to: 1 - symbol: Hf # 9 coordinates: [ 0.666666666666667, 0.408673805000000, 0.500000000000000 ] mass: 178.490000 reduced_to: 1 - symbol: Hf # 10 coordinates: [ 0.000000000000000, 0.908673805000000, 0.500000000000000 ] mass: 178.490000 reduced_to: 1 - symbol: Hf # 11 coordinates: [ 0.333333333333333, 0.908673805000000, 0.500000000000000 ] mass: 178.490000 reduced_to: 1 - symbol: Hf # 12 coordinates: [ 0.666666666666667, 0.908673805000000, 0.500000000000000 ] mass: 178.490000 reduced_to: 1 - symbol: Hf # 13 coordinates: [ 0.166666666666667, 0.159628710000000, 0.000000000000000 ] mass: 178.490000 reduced_to: 13 - symbol: Hf # 14 coordinates: [ 0.500000000000000, 0.159628710000000, 0.000000000000000 ] mass: 178.490000 reduced_to: 13 - symbol: Hf # 15 coordinates: [ 0.833333333333333, 0.159628710000000, 0.000000000000000 ] mass: 178.490000 reduced_to: 13 - symbol: Hf # 16 coordinates: [ 0.166666666666667, 0.659628710000000, 0.000000000000000 ] mass: 178.490000 reduced_to: 13 - symbol: Hf # 17 coordinates: [ 0.500000000000000, 0.659628710000000, 0.000000000000000 ] mass: 178.490000 reduced_to: 13 - symbol: Hf # 18 coordinates: [ 0.833333333333333, 0.659628710000000, 0.000000000000000 ] mass: 178.490000 reduced_to: 13 - symbol: Hf # 19 coordinates: [ 0.166666666666667, 0.159628710000000, 0.500000000000000 ] mass: 178.490000 reduced_to: 13 - symbol: Hf # 20 coordinates: [ 0.500000000000000, 0.159628710000000, 0.500000000000000 ] mass: 178.490000 reduced_to: 13 - symbol: Hf # 21 coordinates: [ 0.833333333333333, 0.159628710000000, 0.500000000000000 ] mass: 178.490000 reduced_to: 13 - symbol: Hf # 22 coordinates: [ 0.166666666666667, 0.659628710000000, 0.500000000000000 ] mass: 178.490000 reduced_to: 13 - symbol: Hf # 23 coordinates: [ 0.500000000000000, 0.659628710000000, 0.500000000000000 ] mass: 178.490000 reduced_to: 13 - symbol: Hf # 24 coordinates: [ 0.833333333333333, 0.659628710000000, 0.500000000000000 ] mass: 178.490000 reduced_to: 13 - symbol: Hf # 25 coordinates: [ 0.166666666666667, 0.338691035000000, 0.250000000000000 ] mass: 178.490000 reduced_to: 25 - symbol: Hf # 26 coordinates: [ 0.500000000000000, 0.338691035000000, 0.250000000000000 ] mass: 178.490000 reduced_to: 25 - symbol: Hf # 27 coordinates: [ 0.833333333333333, 0.338691035000000, 0.250000000000000 ] mass: 178.490000 reduced_to: 25 - symbol: Hf # 28 coordinates: [ 0.166666666666667, 0.838691035000000, 0.250000000000000 ] mass: 178.490000 reduced_to: 25 - symbol: Hf # 29 coordinates: [ 0.500000000000000, 0.838691035000000, 0.250000000000000 ] mass: 178.490000 reduced_to: 25 - symbol: Hf # 30 coordinates: [ 0.833333333333333, 0.838691035000000, 0.250000000000000 ] mass: 178.490000 reduced_to: 25 - symbol: Hf # 31 coordinates: [ 0.166666666666667, 0.338691035000000, 0.750000000000000 ] mass: 178.490000 reduced_to: 25 - symbol: Hf # 32 coordinates: [ 0.500000000000000, 0.338691035000000, 0.750000000000000 ] mass: 178.490000 reduced_to: 25 - symbol: Hf # 33 coordinates: [ 0.833333333333333, 0.338691035000000, 0.750000000000000 ] mass: 178.490000 reduced_to: 25 - symbol: Hf # 34 coordinates: [ 0.166666666666667, 0.838691035000000, 0.750000000000000 ] mass: 178.490000 reduced_to: 25 - symbol: Hf # 35 coordinates: [ 0.500000000000000, 0.838691035000000, 0.750000000000000 ] mass: 178.490000 reduced_to: 25 - symbol: Hf # 36 coordinates: [ 0.833333333333333, 0.838691035000000, 0.750000000000000 ] mass: 178.490000 reduced_to: 25 - symbol: Sn # 37 coordinates: [ 0.000000000000000, 0.086493990000000, 0.250000000000000 ] mass: 118.710000 reduced_to: 37 - symbol: Sn # 38 coordinates: [ 0.333333333333333, 0.086493990000000, 0.250000000000000 ] mass: 118.710000 reduced_to: 37 - symbol: Sn # 39 coordinates: [ 0.666666666666667, 0.086493990000000, 0.250000000000000 ] mass: 118.710000 reduced_to: 37 - symbol: Sn # 40 coordinates: [ 0.000000000000000, 0.586493990000000, 0.250000000000000 ] mass: 118.710000 reduced_to: 37 - symbol: Sn # 41 coordinates: [ 0.333333333333333, 0.586493990000000, 0.250000000000000 ] mass: 118.710000 reduced_to: 37 - symbol: Sn # 42 coordinates: [ 0.666666666666667, 0.586493990000000, 0.250000000000000 ] mass: 118.710000 reduced_to: 37 - symbol: Sn # 43 coordinates: [ 0.000000000000000, 0.086493990000000, 0.750000000000000 ] mass: 118.710000 reduced_to: 37 - symbol: Sn # 44 coordinates: [ 0.333333333333333, 0.086493990000000, 0.750000000000000 ] mass: 118.710000 reduced_to: 37 - symbol: Sn # 45 coordinates: [ 0.666666666666667, 0.086493990000000, 0.750000000000000 ] mass: 118.710000 reduced_to: 37 - symbol: Sn # 46 coordinates: [ 0.000000000000000, 0.586493990000000, 0.750000000000000 ] mass: 118.710000 reduced_to: 37 - symbol: Sn # 47 coordinates: [ 0.333333333333333, 0.586493990000000, 0.750000000000000 ] mass: 118.710000 reduced_to: 37 - symbol: Sn # 48 coordinates: [ 0.666666666666667, 0.586493990000000, 0.750000000000000 ] mass: 118.710000 reduced_to: 37 - symbol: O # 49 coordinates: [ 0.258042786666667, 0.053204040000000, 0.413448100000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.591376120000000, 0.053204040000000, 0.413448100000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.924709453333333, 0.053204040000000, 0.413448100000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.258042786666667, 0.553204040000000, 0.413448100000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.591376120000000, 0.553204040000000, 0.413448100000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 54 coordinates: [ 0.924709453333333, 0.553204040000000, 0.413448100000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 55 coordinates: [ 0.258042786666667, 0.053204040000000, 0.913448100000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 56 coordinates: [ 0.591376120000000, 0.053204040000000, 0.913448100000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 57 coordinates: [ 0.924709453333333, 0.053204040000000, 0.913448100000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 58 coordinates: [ 0.258042786666667, 0.553204040000000, 0.913448100000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 59 coordinates: [ 0.591376120000000, 0.553204040000000, 0.913448100000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 60 coordinates: [ 0.924709453333333, 0.553204040000000, 0.913448100000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 61 coordinates: [ 0.257337793333333, 0.448127665000000, 0.161512485000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.590671126666667, 0.448127665000000, 0.161512485000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.924004460000000, 0.448127665000000, 0.161512485000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.257337793333333, 0.948127665000000, 0.161512485000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.590671126666667, 0.948127665000000, 0.161512485000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 66 coordinates: [ 0.924004460000000, 0.948127665000000, 0.161512485000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 67 coordinates: [ 0.257337793333333, 0.448127665000000, 0.661512485000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 68 coordinates: [ 0.590671126666667, 0.448127665000000, 0.661512485000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 69 coordinates: [ 0.924004460000000, 0.448127665000000, 0.661512485000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 70 coordinates: [ 0.257337793333333, 0.948127665000000, 0.661512485000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 71 coordinates: [ 0.590671126666667, 0.948127665000000, 0.661512485000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 72 coordinates: [ 0.924004460000000, 0.948127665000000, 0.661512485000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 73 coordinates: [ 0.240329903333333, 0.302997150000000, 0.414371215000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.573663236666667, 0.302997150000000, 0.414371215000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.906996570000000, 0.302997150000000, 0.414371215000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.240329903333333, 0.802997150000000, 0.414371215000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.573663236666667, 0.802997150000000, 0.414371215000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 78 coordinates: [ 0.906996570000000, 0.802997150000000, 0.414371215000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 79 coordinates: [ 0.240329903333333, 0.302997150000000, 0.914371215000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 80 coordinates: [ 0.573663236666667, 0.302997150000000, 0.914371215000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 81 coordinates: [ 0.906996570000000, 0.302997150000000, 0.914371215000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 82 coordinates: [ 0.240329903333333, 0.802997150000000, 0.914371215000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 83 coordinates: [ 0.573663236666667, 0.802997150000000, 0.914371215000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 84 coordinates: [ 0.906996570000000, 0.802997150000000, 0.914371215000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 85 coordinates: [ 0.243222106666667, 0.198927385000000, 0.163788135000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.576555440000000, 0.198927385000000, 0.163788135000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.909888773333333, 0.198927385000000, 0.163788135000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 88 coordinates: [ 0.243222106666667, 0.698927385000000, 0.163788135000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 89 coordinates: [ 0.576555440000000, 0.698927385000000, 0.163788135000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 90 coordinates: [ 0.909888773333333, 0.698927385000000, 0.163788135000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 91 coordinates: [ 0.243222106666667, 0.198927385000000, 0.663788135000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 92 coordinates: [ 0.576555440000000, 0.198927385000000, 0.663788135000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 93 coordinates: [ 0.909888773333333, 0.198927385000000, 0.663788135000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 94 coordinates: [ 0.243222106666667, 0.698927385000000, 0.663788135000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 95 coordinates: [ 0.576555440000000, 0.698927385000000, 0.663788135000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 96 coordinates: [ 0.909888773333333, 0.698927385000000, 0.663788135000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 97 coordinates: [ 0.090111226666667, 0.198927385000000, 0.336211865000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.423444560000000, 0.198927385000000, 0.336211865000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.756777893333333, 0.198927385000000, 0.336211865000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 100 coordinates: [ 0.090111226666667, 0.698927385000000, 0.336211865000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 101 coordinates: [ 0.423444560000000, 0.698927385000000, 0.336211865000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 102 coordinates: [ 0.756777893333333, 0.698927385000000, 0.336211865000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 103 coordinates: [ 0.090111226666667, 0.198927385000000, 0.836211865000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 104 coordinates: [ 0.423444560000000, 0.198927385000000, 0.836211865000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 105 coordinates: [ 0.756777893333333, 0.198927385000000, 0.836211865000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 106 coordinates: [ 0.090111226666667, 0.698927385000000, 0.836211865000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 107 coordinates: [ 0.423444560000000, 0.698927385000000, 0.836211865000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 108 coordinates: [ 0.756777893333333, 0.698927385000000, 0.836211865000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 109 coordinates: [ 0.093003430000000, 0.302997150000000, 0.085628785000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.426336763333333, 0.302997150000000, 0.085628785000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 111 coordinates: [ 0.759670096666667, 0.302997150000000, 0.085628785000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 112 coordinates: [ 0.093003430000000, 0.802997150000000, 0.085628785000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 113 coordinates: [ 0.426336763333333, 0.802997150000000, 0.085628785000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 114 coordinates: [ 0.759670096666667, 0.802997150000000, 0.085628785000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 115 coordinates: [ 0.093003430000000, 0.302997150000000, 0.585628785000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 116 coordinates: [ 0.426336763333333, 0.302997150000000, 0.585628785000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 117 coordinates: [ 0.759670096666667, 0.302997150000000, 0.585628785000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 118 coordinates: [ 0.093003430000000, 0.802997150000000, 0.585628785000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 119 coordinates: [ 0.426336763333333, 0.802997150000000, 0.585628785000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 120 coordinates: [ 0.759670096666667, 0.802997150000000, 0.585628785000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 121 coordinates: [ 0.075290546666667, 0.053204040000000, 0.086551900000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 122 coordinates: [ 0.408623880000000, 0.053204040000000, 0.086551900000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 123 coordinates: [ 0.741957213333333, 0.053204040000000, 0.086551900000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 124 coordinates: [ 0.075290546666667, 0.553204040000000, 0.086551900000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 125 coordinates: [ 0.408623880000000, 0.553204040000000, 0.086551900000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 126 coordinates: [ 0.741957213333333, 0.553204040000000, 0.086551900000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 127 coordinates: [ 0.075290546666667, 0.053204040000000, 0.586551900000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 128 coordinates: [ 0.408623880000000, 0.053204040000000, 0.586551900000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 129 coordinates: [ 0.741957213333333, 0.053204040000000, 0.586551900000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 130 coordinates: [ 0.075290546666667, 0.553204040000000, 0.586551900000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 131 coordinates: [ 0.408623880000000, 0.553204040000000, 0.586551900000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 132 coordinates: [ 0.741957213333333, 0.553204040000000, 0.586551900000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 133 coordinates: [ 0.075995540000000, 0.448127665000000, 0.338487515000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 134 coordinates: [ 0.409328873333333, 0.448127665000000, 0.338487515000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 135 coordinates: [ 0.742662206666667, 0.448127665000000, 0.338487515000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 136 coordinates: [ 0.075995540000000, 0.948127665000000, 0.338487515000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 137 coordinates: [ 0.409328873333333, 0.948127665000000, 0.338487515000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 138 coordinates: [ 0.742662206666667, 0.948127665000000, 0.338487515000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 139 coordinates: [ 0.075995540000000, 0.448127665000000, 0.838487515000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 140 coordinates: [ 0.409328873333333, 0.448127665000000, 0.838487515000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 141 coordinates: [ 0.742662206666667, 0.448127665000000, 0.838487515000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 142 coordinates: [ 0.075995540000000, 0.948127665000000, 0.838487515000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 143 coordinates: [ 0.409328873333333, 0.948127665000000, 0.838487515000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 144 coordinates: [ 0.742662206666667, 0.948127665000000, 0.838487515000000 ] mass: 15.999400 reduced_to: 133born_effective_charge:- # 1 (Hf) - [ 5.650207190000000, 0.000000000000000, 0.282310410000000 ] - [ 0.000000000000000, 5.045669530000000, 0.000000000000000 ] - [ 0.122122720000000, 0.000000000000000, 5.401259810000000 ]- # 2 (Hf) - [ 5.251476530000000, 0.000000000000000, -0.322651910000000 ] - [ 0.000000000000000, 5.111086590000000, 0.000000000000000 ] - [ -0.182555490000000, 0.000000000000000, 5.487768920000000 ]- # 3 (Hf) - [ 5.212651350000000, 0.000000000000000, -0.267410910000000 ] - [ 0.000000000000000, 5.069251170000000, 0.000000000000000 ] - [ -0.228797450000000, 0.000000000000000, 5.855674720000000 ]- # 4 (Sn) - [ 4.417253340000000, 0.000000000000000, 0.172104830000000 ] - [ 0.000000000000000, 4.384249300000000, 0.000000000000000 ] - [ 0.145200520000000, 0.000000000000000, 4.515544770000000 ]- # 5 (O) - [ -2.600105500000000, 1.061560890000000, 0.563560760000000 ] - [ 1.054595870000000, -2.564041880000000, -0.142315770000000 ] - [ 0.559916980000000, 0.003264570000000, -2.348455730000000 ]- # 6 (O) - [ -2.557815010000000, -0.679066310000000, 0.957451570000000 ] - [ -0.815023690000000, -2.374412580000000, 0.106894260000000 ] - [ 0.914305210000000, -0.000819910000000, -2.730444970000000 ]- # 7 (O) - [ -2.768094250000000, -1.057329990000000, -0.902143590000000 ] - [ -1.041125900000000, -2.506965440000000, 0.019490650000000 ] - [ -0.879847320000000, 0.203514590000000, -2.877686460000000 ]- # 8 (O) - [ -2.339779430000000, 0.584194970000000, -0.551044950000000 ] - [ 0.676857070000000, -2.359708390000000, -0.215090720000000 ] - [ -0.522360020000000, -0.430414410000000, -2.673536940000000 ]- # 9 (O) - [ -2.339779430000000, -0.584194970000000, -0.551044950000000 ] - [ -0.676857070000000, -2.359708390000000, 0.215090720000000 ] - [ -0.522360020000000, 0.430414410000000, -2.673536940000000 ]- # 10 (O) - [ -2.768094250000000, 1.057329990000000, -0.902143590000000 ] - [ 1.041125900000000, -2.506965440000000, -0.019490650000000 ] - [ -0.879847320000000, -0.203514590000000, -2.877686460000000 ]- # 11 (O) - [ -2.600105500000000, -1.061560890000000, 0.563560760000000 ] - [ -1.054595870000000, -2.564041880000000, 0.142315770000000 ] - [ 0.559916980000000, -0.003264570000000, -2.348455730000000 ]- # 12 (O) - [ -2.557815010000000, 0.679066310000000, 0.957451570000000 ] - [ 0.815023690000000, -2.374412580000000, -0.106894260000000 ] - [ 0.914305210000000, 0.000819910000000, -2.730444970000000 ]dielectric_constant: - [ 4.668958130000000, 0.000000000000000, 0.003287850000000 ] - [ 0.000000000000000, 4.511527850000000, 0.000000000000000 ] - [ 0.003286060000000, 0.000000000000000, 4.819529770000000 ]displacements:- atom: 1 displacement: [ 0.0099999975103145, 0.0000000000000000, -0.0000070564653367 ] forces: - [ -0.2342613900000000, 0.0017111900000000, -0.0194336800000000 ] - [ 0.0145746700000000, 0.0010221700000000, 0.0004231900000000 ] - [ 0.0145082800000000, -0.0007589200000000, 0.0004201800000000 ] - [ -0.0135753900000000, 0.0001268700000000, -0.0032380300000000 ] - [ 0.0055671000000000, -0.0009646500000000, 0.0010556000000000 ] - [ 0.0055589400000000, 0.0012177100000000, 0.0010593900000000 ] - [ -0.0165743600000000, 0.0001351700000000, -0.0008974100000000 ] - [ 0.0067775100000000, 0.0010423500000000, -0.0000319100000000 ] - [ 0.0067714000000000, -0.0007865100000000, -0.0000236600000000 ] - [ -0.0077865400000000, 0.0001266400000000, 0.0003109800000000 ] - [ 0.0036679600000000, -0.0004571100000000, 0.0001269300000000 ] - [ 0.0036622700000000, 0.0007123800000000, 0.0001346100000000 ] - [ 0.0137596500000000, -0.0265500700000000, -0.0085046800000000 ] - [ 0.0076731800000000, 0.0007318900000000, -0.0005475400000000 ] - [ 0.0137751100000000, 0.0279285000000000, -0.0085328900000000 ] - [ 0.0133563800000000, 0.0233003400000000, -0.0069708400000000 ] - [ 0.0076393900000000, 0.0007391400000000, -0.0006547500000000 ] - [ 0.0133729400000000, -0.0217259400000000, -0.0069772400000000 ] - [ -0.0022626000000000, -0.0026948700000000, 0.0004700500000000 ] - [ 0.0057149700000000, 0.0007338100000000, 0.0000538900000000 ] - [ -0.0022434200000000, 0.0041688400000000, 0.0004740600000000 ] - [ -0.0007758300000000, 0.0027736700000000, 0.0008462400000000 ] - [ 0.0054643000000000, 0.0007361600000000, -0.0001866400000000 ] - [ -0.0007479800000000, -0.0013088700000000, 0.0008468900000000 ] - [ 0.0162531400000000, -0.0015024800000000, 0.0353087800000000 ] - [ 0.0080555800000000, -0.0002618400000000, -0.0001852600000000 ] - [ 0.0148917400000000, 0.0129970100000000, -0.0224853800000000 ] - [ -0.0012729400000000, 0.0021354600000000, 0.0024123500000000 ] - [ 0.0052234800000000, -0.0003766700000000, -0.0004470200000000 ] - [ -0.0020211400000000, -0.0020044400000000, -0.0020740700000000 ] - [ 0.0148805700000000, -0.0140459700000000, -0.0226221300000000 ] - [ 0.0080577200000000, -0.0007841500000000, -0.0001937300000000 ] - [ 0.0162782200000000, 0.0003915800000000, 0.0351865600000000 ] - [ -0.0020431500000000, 0.0009602000000000, -0.0020675600000000 ] - [ 0.0052256100000000, -0.0006633500000000, -0.0004497300000000 ] - [ -0.0012520200000000, -0.0031828400000000, 0.0024022900000000 ] - [ -0.0140283700000000, -0.0001971600000000, 0.0005380800000000 ] - [ 0.0052050300000000, -0.0026097900000000, 0.0018322200000000 ] - [ 0.0049615600000000, 0.0015485500000000, -0.0014872400000000 ] - [ -0.0322195400000000, -0.0092276900000000, 0.0043830600000000 ] - [ 0.0059552200000000, 0.0027436000000000, 0.0028203000000000 ] - [ 0.0056162800000000, -0.0024354500000000, -0.0024203900000000 ] - [ -0.0140463400000000, 0.0003044500000000, 0.0005373200000000 ] - [ 0.0049325900000000, -0.0014626400000000, -0.0014820200000000 ] - [ 0.0052314200000000, 0.0026900500000000, 0.0018143700000000 ] - [ -0.0322107100000000, 0.0092686900000000, 0.0044165200000000 ] - [ 0.0055920600000000, 0.0025345800000000, -0.0024239900000000 ] - [ 0.0059823900000000, -0.0026378200000000, 0.0027968800000000 ] - [ -0.0013134400000000, 0.0013022400000000, -0.0001295100000000 ] - [ -0.0024309000000000, 0.0004014400000000, 0.0009793900000000 ] - [ 0.0032204100000000, -0.0023611800000000, 0.0002744600000000 ] - [ -0.0007865100000000, -0.0007133000000000, -0.0006506600000000 ] - [ -0.0031063500000000, 0.0014839800000000, 0.0009116100000000 ] - [ 0.0028253200000000, 0.0001938300000000, 0.0042824500000000 ] - [ -0.0058788000000000, 0.0043788600000000, 0.0035120800000000 ] - [ -0.0033058200000000, 0.0004699200000000, 0.0010236000000000 ] - [ 0.0067038600000000, -0.0075615500000000, -0.0018352500000000 ] - [ -0.0057910500000000, -0.0009281800000000, 0.0024229500000000 ] - [ -0.0048082400000000, 0.0023456100000000, 0.0008786200000000 ] - [ 0.0162113800000000, 0.0045051800000000, -0.0034608900000000 ] - [ -0.0072005000000000, -0.0026888800000000, -0.0007840800000000 ] - [ -0.0045081100000000, -0.0005621000000000, 0.0022701700000000 ] - [ 0.0323823700000000, -0.0040405900000000, -0.0182141100000000 ] - [ -0.0007841300000000, 0.0008256100000000, 0.0000532800000000 ] - [ -0.0027815700000000, -0.0007165800000000, 0.0012138000000000 ] - [ 0.0036143000000000, 0.0001587400000000, -0.0010027200000000 ] - [ -0.0038134400000000, -0.0015653100000000, 0.0032832500000000 ] - [ -0.0033819600000000, -0.0004538300000000, 0.0006861000000000 ] - [ 0.0097876600000000, 0.0026780600000000, -0.0061812100000000 ] - [ -0.0005605200000000, 0.0008983600000000, 0.0010963000000000 ] - [ -0.0019579400000000, -0.0003663200000000, 0.0006882700000000 ] - [ 0.0030123500000000, 0.0006972000000000, -0.0016737200000000 ] - [ -0.0037895800000000, 0.0013522900000000, -0.0062639500000000 ] - [ -0.0034501000000000, -0.0013587200000000, -0.0011512500000000 ] - [ 0.0051107700000000, 0.0001258600000000, 0.0057822800000000 ] - [ -0.0008063100000000, -0.0007425500000000, -0.0006440400000000 ] - [ -0.0022016200000000, -0.0008886300000000, -0.0006498600000000 ] - [ 0.0026897100000000, 0.0013957900000000, 0.0008638100000000 ] - [ -0.0066781400000000, 0.0007212500000000, 0.0013023400000000 ] - [ -0.0050370800000000, -0.0021805200000000, -0.0017735400000000 ] - [ 0.0465007200000000, 0.0353433300000000, 0.0250851900000000 ] - [ -0.0013376500000000, -0.0031434300000000, 0.0015758500000000 ] - [ -0.0031293900000000, -0.0012269800000000, -0.0010123500000000 ] - [ 0.0037177800000000, 0.0054854900000000, 0.0005428500000000 ] - [ -0.0057387900000000, 0.0036816000000000, -0.0032555800000000 ] - [ -0.0035723800000000, 0.0001704800000000, -0.0004969200000000 ] - [ 0.0056255100000000, -0.0086818000000000, 0.0065004500000000 ] - [ -0.0021129300000000, -0.0028246800000000, -0.0023313300000000 ] - [ -0.0030336200000000, 0.0007795500000000, -0.0004764200000000 ] - [ 0.0051083900000000, 0.0033845200000000, 0.0033296400000000 ] - [ -0.0023017400000000, 0.0032883900000000, 0.0022502200000000 ] - [ -0.0031662100000000, 0.0002351900000000, -0.0009472400000000 ] - [ 0.0037650300000000, -0.0045833100000000, -0.0040158700000000 ] - [ -0.0000690900000000, -0.0014670000000000, 0.0005406900000000 ] - [ -0.0024563700000000, 0.0005331600000000, -0.0007182400000000 ] - [ 0.0006446600000000, 0.0018411600000000, -0.0028872200000000 ] - [ 0.0039028800000000, 0.0039659800000000, -0.0040908000000000 ] - [ -0.0029909400000000, -0.0008503100000000, -0.0010259800000000 ] - [ -0.0021669900000000, -0.0039103100000000, 0.0021767500000000 ] - [ 0.0007862900000000, -0.0024439800000000, -0.0029728400000000 ] - [ -0.0022818800000000, -0.0011510400000000, -0.0007967300000000 ] - [ 0.0000655600000000, 0.0008476400000000, 0.0004641800000000 ] - [ 0.0057874300000000, 0.0081061400000000, 0.0064424700000000 ] - [ -0.0034003300000000, -0.0007845500000000, -0.0005728900000000 ] - [ -0.0056002400000000, -0.0042872100000000, -0.0033124100000000 ] - [ 0.0052677800000000, -0.0039755100000000, 0.0032485300000000 ] - [ -0.0028623700000000, -0.0014003800000000, -0.0005531500000000 ] - [ -0.0019826500000000, 0.0022056000000000, -0.0024043000000000 ] - [ 0.0481866400000000, -0.0376581800000000, 0.0266545100000000 ] - [ -0.0051579700000000, 0.0020670200000000, -0.0018430200000000 ] - [ -0.0067968000000000, -0.0008319700000000, 0.0012248100000000 ] - [ 0.0036164300000000, -0.0056273300000000, 0.0004829500000000 ] - [ -0.0032427400000000, 0.0011072800000000, -0.0010785200000000 ] - [ -0.0014702500000000, 0.0030037000000000, 0.0015145500000000 ] - [ 0.0050177500000000, -0.0002761600000000, 0.0057274700000000 ] - [ -0.0035636600000000, 0.0012412400000000, -0.0012145700000000 ] - [ -0.0039197400000000, -0.0014861900000000, -0.0063209400000000 ] - [ 0.0025878700000000, -0.0015349500000000, 0.0008075200000000 ] - [ -0.0023147000000000, 0.0007691100000000, -0.0007144000000000 ] - [ -0.0009400500000000, 0.0006071900000000, -0.0007029300000000 ] - [ 0.0070440800000000, 0.0071868000000000, -0.0023282200000000 ] - [ -0.0030069300000000, -0.0008181000000000, 0.0005355500000000 ] - [ -0.0055848700000000, -0.0047585300000000, 0.0030195400000000 ] - [ 0.0169695100000000, -0.0044628000000000, -0.0037225200000000 ] - [ -0.0045155100000000, -0.0027014500000000, 0.0003897600000000 ] - [ -0.0054890800000000, 0.0005217300000000, 0.0019202400000000 ] - [ 0.0035604300000000, 0.0019890600000000, -0.0002104800000000 ] - [ -0.0021320200000000, -0.0007499200000000, 0.0004935400000000 ] - [ -0.0010203800000000, -0.0016865800000000, -0.0006186400000000 ] - [ 0.0031754200000000, -0.0005547300000000, 0.0037712800000000 ] - [ -0.0028088400000000, -0.0018343000000000, 0.0004270400000000 ] - [ -0.0004972400000000, 0.0003251100000000, -0.0011376900000000 ] - [ 0.0095426300000000, -0.0019642600000000, -0.0062782200000000 ] - [ -0.0036625800000000, 0.0011779200000000, 0.0006116200000000 ] - [ -0.0040606400000000, 0.0022876900000000, 0.0032044200000000 ] - [ 0.0027428900000000, 0.0000379200000000, -0.0017707300000000 ] - [ -0.0022369100000000, 0.0010909200000000, 0.0006156600000000 ] - [ -0.0008077500000000, -0.0001760800000000, 0.0010242100000000 ] - [ 0.0327499500000000, 0.0050097400000000, -0.0196191800000000 ] - [ -0.0047952100000000, 0.0012876400000000, 0.0022045600000000 ] - [ -0.0074415200000000, 0.0034066700000000, -0.0008244500000000 ] - [ 0.0033465200000000, 0.0005792600000000, -0.0011008900000000 ] - [ -0.0030614800000000, 0.0014414300000000, 0.0011428100000000 ] - [ -0.0010326400000000, -0.0001014100000000, -0.0000161800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.2083443600000000, 0.0000000000000000 ] - [ -0.0008924400000000, -0.0058813200000000, 0.0007758800000000 ] - [ 0.0008924400000000, -0.0058813200000000, -0.0007758800000000 ] - [ 0.0000000000000000, 0.0150708200000000, 0.0000000000000000 ] - [ 0.0011078800000000, 0.0054796400000000, 0.0001068800000000 ] - [ -0.0011078800000000, 0.0054796400000000, -0.0001068800000000 ] - [ 0.0000000000000000, -0.0056092300000000, 0.0000000000000000 ] - [ -0.0009153700000000, -0.0032557100000000, -0.0010726900000000 ] - [ 0.0009153700000000, -0.0032557100000000, 0.0010726900000000 ] - [ 0.0000000000000000, 0.0060712700000000, 0.0000000000000000 ] - [ 0.0005953200000000, 0.0025752600000000, -0.0001328100000000 ] - [ -0.0005953200000000, 0.0025752600000000, 0.0001328100000000 ] - [ -0.0230211900000000, 0.0216224300000000, 0.0060929300000000 ] - [ 0.0000000000000000, 0.0007290700000000, 0.0000000000000000 ] - [ 0.0230211900000000, 0.0216224300000000, -0.0060929300000000 ] - [ 0.0276272100000000, 0.0214092000000000, -0.0081764700000000 ] - [ 0.0000000000000000, 0.0005209600000000, 0.0000000000000000 ] - [ -0.0276272100000000, 0.0214092000000000, 0.0081764700000000 ] - [ -0.0011739300000000, 0.0016047300000000, -0.0023199900000000 ] - [ 0.0000000000000000, 0.0013707300000000, 0.0000000000000000 ] - [ 0.0011739300000000, 0.0016047300000000, 0.0023199900000000 ] - [ 0.0030630500000000, 0.0003000700000000, 0.0015862400000000 ] - [ 0.0000000000000000, 0.0003048700000000, 0.0000000000000000 ] - [ -0.0030630500000000, 0.0003000700000000, -0.0015862400000000 ] - [ -0.0130837000000000, -0.0155933500000000, -0.0232507100000000 ] - [ -0.0003290800000000, -0.0020590700000000, 0.0001980200000000 ] - [ 0.0003817100000000, -0.0162379000000000, -0.0047135100000000 ] - [ 0.0017125200000000, 0.0074191900000000, 0.0017539800000000 ] - [ 0.0000528500000000, 0.0009522000000000, 0.0001148200000000 ] - [ -0.0019973600000000, 0.0075494300000000, 0.0032850400000000 ] - [ -0.0003817100000000, -0.0162379000000000, 0.0047135100000000 ] - [ 0.0003290800000000, -0.0020590700000000, -0.0001980200000000 ] - [ 0.0130837000000000, -0.0155933500000000, 0.0232507100000000 ] - [ 0.0019973600000000, 0.0075494300000000, -0.0032850400000000 ] - [ -0.0000528500000000, 0.0009522000000000, -0.0001148200000000 ] - [ -0.0017125200000000, 0.0074191900000000, -0.0017539800000000 ] - [ -0.0011248900000000, 0.0108927000000000, -0.0071592800000000 ] - [ -0.0023773300000000, 0.0035788200000000, -0.0010396700000000 ] - [ 0.0017219100000000, 0.0015939200000000, -0.0017881300000000 ] - [ -0.0075477600000000, 0.0073237400000000, 0.0346653500000000 ] - [ 0.0025875100000000, -0.0031463000000000, 0.0009228900000000 ] - [ -0.0025126000000000, -0.0013003800000000, 0.0020719700000000 ] - [ 0.0011248900000000, 0.0108927000000000, 0.0071592800000000 ] - [ -0.0017219100000000, 0.0015939200000000, 0.0017881300000000 ] - [ 0.0023773300000000, 0.0035788200000000, 0.0010396700000000 ] - [ 0.0075477600000000, 0.0073237400000000, -0.0346653500000000 ] - [ 0.0025126000000000, -0.0013003800000000, -0.0020719700000000 ] - [ -0.0025875100000000, -0.0031463000000000, -0.0009228900000000 ] - [ 0.0005653100000000, -0.0018637300000000, 0.0007812300000000 ] - [ 0.0001312800000000, -0.0009155400000000, 0.0002328400000000 ] - [ -0.0000600000000000, -0.0023326100000000, 0.0016470400000000 ] - [ -0.0014950400000000, 0.0015475200000000, 0.0002208800000000 ] - [ -0.0002149000000000, 0.0006232700000000, -0.0000080600000000 ] - [ 0.0002332300000000, 0.0009465800000000, -0.0010070100000000 ] - [ 0.0053164000000000, -0.0049261400000000, -0.0026593100000000 ] - [ -0.0004991900000000, -0.0013551400000000, 0.0005981000000000 ] - [ 0.0011137900000000, -0.0082265200000000, -0.0007246500000000 ] - [ -0.0055802700000000, 0.0037632500000000, 0.0025508400000000 ] - [ -0.0000589900000000, 0.0008925500000000, 0.0003517200000000 ] - [ -0.0055416200000000, 0.0206220300000000, -0.0076616900000000 ] - [ 0.0011950100000000, 0.0068102000000000, -0.0013577300000000 ] - [ 0.0008610000000000, 0.0017527800000000, 0.0000062800000000 ] - [ -0.0087706400000000, 0.0254724800000000, 0.0178987100000000 ] - [ -0.0007544100000000, -0.0028403700000000, 0.0002555300000000 ] - [ -0.0004040200000000, -0.0008983800000000, 0.0001156400000000 ] - [ -0.0013770100000000, -0.0050620700000000, 0.0001058800000000 ] - [ 0.0004216100000000, 0.0021900100000000, 0.0004116600000000 ] - [ 0.0002186900000000, 0.0010618200000000, 0.0000862500000000 ] - [ 0.0046201400000000, 0.0090948800000000, 0.0023481900000000 ] - [ -0.0011601700000000, -0.0018014600000000, 0.0004947000000000 ] - [ -0.0000457500000000, -0.0003849300000000, -0.0000370500000000 ] - [ -0.0010159800000000, -0.0028709800000000, -0.0000948900000000 ] - [ 0.0037498000000000, -0.0000280500000000, 0.0053155800000000 ] - [ 0.0000852200000000, 0.0003024600000000, 0.0000047000000000 ] - [ 0.0009739000000000, 0.0027822000000000, 0.0002579300000000 ] - [ -0.0016456500000000, -0.0016037100000000, -0.0009446000000000 ] - [ 0.0000169600000000, -0.0004096600000000, -0.0000583900000000 ] - [ -0.0005467600000000, -0.0020108200000000, -0.0007059100000000 ] - [ 0.0045358700000000, 0.0045207700000000, -0.0036447600000000 ] - [ 0.0001476700000000, 0.0006848000000000, 0.0001954700000000 ] - [ 0.0267185000000000, 0.0426672600000000, 0.0180202600000000 ] - [ -0.0041855100000000, -0.0065335500000000, 0.0014163700000000 ] - [ 0.0001079000000000, -0.0006935200000000, -0.0000282000000000 ] - [ -0.0009188600000000, -0.0079871100000000, 0.0010453100000000 ] - [ 0.0059050400000000, -0.0027315500000000, 0.0037162800000000 ] - [ -0.0007101200000000, -0.0000803600000000, 0.0001133200000000 ] - [ -0.0067415700000000, -0.0050802700000000, 0.0095471500000000 ] - [ -0.0042557200000000, -0.0024253600000000, -0.0038028600000000 ] - [ 0.0007474800000000, -0.0006678600000000, -0.0000340700000000 ] - [ 0.0051263800000000, -0.0067629200000000, -0.0045072500000000 ] - [ 0.0006452200000000, 0.0011954500000000, 0.0000009100000000 ] - [ -0.0010404600000000, -0.0000964800000000, -0.0003865200000000 ] - [ -0.0012166300000000, -0.0017540500000000, -0.0052004500000000 ] - [ -0.0011563200000000, -0.0006524500000000, 0.0004393600000000 ] - [ 0.0005428600000000, -0.0004619500000000, 0.0003537100000000 ] - [ 0.0026372100000000, -0.0033571100000000, 0.0045171900000000 ] - [ 0.0012166300000000, -0.0017540500000000, 0.0052004500000000 ] - [ 0.0010404600000000, -0.0000964800000000, 0.0003865200000000 ] - [ -0.0006452200000000, 0.0011954500000000, -0.0000009100000000 ] - [ -0.0026372100000000, -0.0033571100000000, -0.0045171900000000 ] - [ -0.0005428600000000, -0.0004619500000000, -0.0003537100000000 ] - [ 0.0011563200000000, -0.0006524500000000, -0.0004393600000000 ] - [ 0.0067415700000000, -0.0050802700000000, -0.0095471500000000 ] - [ 0.0007101200000000, -0.0000803600000000, -0.0001133200000000 ] - [ -0.0059050400000000, -0.0027315500000000, -0.0037162800000000 ] - [ -0.0051263800000000, -0.0067629200000000, 0.0045072500000000 ] - [ -0.0007474800000000, -0.0006678600000000, 0.0000340700000000 ] - [ 0.0042557200000000, -0.0024253600000000, 0.0038028600000000 ] - [ -0.0267185000000000, 0.0426672600000000, -0.0180202600000000 ] - [ -0.0001476700000000, 0.0006848000000000, -0.0001954700000000 ] - [ -0.0045358700000000, 0.0045207700000000, 0.0036447600000000 ] - [ 0.0009188600000000, -0.0079871100000000, -0.0010453100000000 ] - [ -0.0001079000000000, -0.0006935200000000, 0.0000282000000000 ] - [ 0.0041855100000000, -0.0065335500000000, -0.0014163700000000 ] - [ -0.0009739000000000, 0.0027822000000000, -0.0002579300000000 ] - [ -0.0000852200000000, 0.0003024600000000, -0.0000047000000000 ] - [ -0.0037498000000000, -0.0000280500000000, -0.0053155800000000 ] - [ 0.0005467600000000, -0.0020108200000000, 0.0007059100000000 ] - [ -0.0000169600000000, -0.0004096600000000, 0.0000583900000000 ] - [ 0.0016456500000000, -0.0016037100000000, 0.0009446000000000 ] - [ -0.0011137900000000, -0.0082265200000000, 0.0007246500000000 ] - [ 0.0004991900000000, -0.0013551400000000, -0.0005981000000000 ] - [ -0.0053164000000000, -0.0049261400000000, 0.0026593100000000 ] - [ 0.0055416200000000, 0.0206220300000000, 0.0076616900000000 ] - [ 0.0000589900000000, 0.0008925500000000, -0.0003517200000000 ] - [ 0.0055802700000000, 0.0037632500000000, -0.0025508400000000 ] - [ 0.0000600000000000, -0.0023326100000000, -0.0016470400000000 ] - [ -0.0001312800000000, -0.0009155400000000, -0.0002328400000000 ] - [ -0.0005653100000000, -0.0018637300000000, -0.0007812300000000 ] - [ -0.0002332300000000, 0.0009465800000000, 0.0010070100000000 ] - [ 0.0002149000000000, 0.0006232700000000, 0.0000080600000000 ] - [ 0.0014950400000000, 0.0015475200000000, -0.0002208800000000 ] - [ -0.0046201400000000, 0.0090948800000000, -0.0023481900000000 ] - [ -0.0002186900000000, 0.0010618200000000, -0.0000862500000000 ] - [ -0.0004216100000000, 0.0021900100000000, -0.0004116600000000 ] - [ 0.0010159800000000, -0.0028709800000000, 0.0000948900000000 ] - [ 0.0000457500000000, -0.0003849300000000, 0.0000370500000000 ] - [ 0.0011601700000000, -0.0018014600000000, -0.0004947000000000 ] - [ 0.0087706400000000, 0.0254724800000000, -0.0178987100000000 ] - [ -0.0008610000000000, 0.0017527800000000, -0.0000062800000000 ] - [ -0.0011950100000000, 0.0068102000000000, 0.0013577300000000 ] - [ 0.0013770100000000, -0.0050620700000000, -0.0001058800000000 ] - [ 0.0004040200000000, -0.0008983800000000, -0.0001156400000000 ] - [ 0.0007544100000000, -0.0028403700000000, -0.0002555300000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.2095173000000000, 0.0000000000000000 ] - [ 0.0008862000000000, 0.0061061300000000, -0.0007789900000000 ] - [ -0.0008862000000000, 0.0061061300000000, 0.0007789900000000 ] - [ 0.0000000000000000, -0.0147543700000000, 0.0000000000000000 ] - [ -0.0010749900000000, -0.0051953300000000, -0.0001082400000000 ] - [ 0.0010749900000000, -0.0051953300000000, 0.0001082400000000 ] - [ 0.0000000000000000, 0.0058473100000000, 0.0000000000000000 ] - [ 0.0009143700000000, 0.0034931000000000, 0.0010637400000000 ] - [ -0.0009143700000000, 0.0034931000000000, -0.0010637400000000 ] - [ 0.0000000000000000, -0.0057966200000000, 0.0000000000000000 ] - [ -0.0005741100000000, -0.0023037500000000, 0.0001244500000000 ] - [ 0.0005741100000000, -0.0023037500000000, -0.0001244500000000 ] - [ 0.0230838800000000, -0.0200660300000000, -0.0059435100000000 ] - [ 0.0000000000000000, 0.0007482600000000, 0.0000000000000000 ] - [ -0.0230838800000000, -0.0200660300000000, 0.0059435100000000 ] - [ -0.0273553500000000, -0.0198115200000000, 0.0081032500000000 ] - [ 0.0000000000000000, 0.0009417400000000, 0.0000000000000000 ] - [ 0.0273553500000000, -0.0198115200000000, -0.0081032500000000 ] - [ 0.0011762900000000, -0.0001020100000000, 0.0023090700000000 ] - [ 0.0000000000000000, 0.0001087000000000, 0.0000000000000000 ] - [ -0.0011762900000000, -0.0001020100000000, -0.0023090700000000 ] - [ -0.0030590900000000, 0.0011410800000000, -0.0015709900000000 ] - [ 0.0000000000000000, 0.0011565000000000, 0.0000000000000000 ] - [ 0.0030590900000000, 0.0011410800000000, 0.0015709900000000 ] - [ 0.0129691000000000, 0.0145051300000000, 0.0230830400000000 ] - [ 0.0003262700000000, 0.0010100000000000, -0.0001959000000000 ] - [ -0.0003104400000000, 0.0153476000000000, 0.0046462900000000 ] - [ -0.0016907400000000, -0.0084301700000000, -0.0017211700000000 ] - [ -0.0000534100000000, -0.0019900800000000, -0.0001130700000000 ] - [ 0.0019759800000000, -0.0085610000000000, -0.0032561700000000 ] - [ 0.0003104400000000, 0.0153476000000000, -0.0046462900000000 ] - [ -0.0003262700000000, 0.0010100000000000, 0.0001959000000000 ] - [ -0.0129691000000000, 0.0145051300000000, -0.0230830400000000 ] - [ -0.0019759800000000, -0.0085610000000000, 0.0032561700000000 ] - [ 0.0000534100000000, -0.0019900800000000, 0.0001130700000000 ] - [ 0.0016907400000000, -0.0084301700000000, 0.0017211700000000 ] - [ 0.0011791400000000, -0.0107975600000000, 0.0072074300000000 ] - [ 0.0023444700000000, -0.0034654900000000, 0.0010500900000000 ] - [ -0.0016973900000000, -0.0014878300000000, 0.0017750500000000 ] - [ 0.0074183400000000, -0.0073045800000000, -0.0343396100000000 ] - [ -0.0026002700000000, 0.0032113400000000, -0.0009034600000000 ] - [ 0.0025295900000000, 0.0013730600000000, -0.0020720100000000 ] - [ -0.0011791400000000, -0.0107975600000000, -0.0072074300000000 ] - [ 0.0016973900000000, -0.0014878300000000, -0.0017750500000000 ] - [ -0.0023444700000000, -0.0034654900000000, -0.0010500900000000 ] - [ -0.0074183400000000, -0.0073045800000000, 0.0343396100000000 ] - [ -0.0025295900000000, 0.0013730600000000, 0.0020720100000000 ] - [ 0.0026002700000000, 0.0032113400000000, 0.0009034600000000 ] - [ -0.0008599500000000, 0.0014671800000000, -0.0002872300000000 ] - [ -0.0004245300000000, 0.0005579000000000, 0.0002526300000000 ] - [ -0.0002683200000000, 0.0019480500000000, -0.0011759300000000 ] - [ 0.0011924800000000, -0.0019172400000000, 0.0002696600000000 ] - [ -0.0000837000000000, -0.0009654000000000, 0.0004923200000000 ] - [ -0.0005779700000000, -0.0012893300000000, 0.0015060800000000 ] - [ -0.0055943700000000, 0.0045173900000000, 0.0031325100000000 ] - [ 0.0002038200000000, 0.0009933400000000, -0.0001075700000000 ] - [ -0.0014156900000000, 0.0078172700000000, 0.0012132200000000 ] - [ 0.0052581000000000, -0.0041081500000000, -0.0020374000000000 ] - [ -0.0002391300000000, -0.0012339300000000, 0.0001350100000000 ] - [ 0.0041940800000000, -0.0197776600000000, 0.0073965700000000 ] - [ -0.0009410100000000, -0.0060444800000000, 0.0014203200000000 ] - [ -0.0005772200000000, -0.0010195300000000, 0.0000650000000000 ] - [ 0.0089279300000000, -0.0251233400000000, -0.0176271900000000 ] - [ 0.0009842700000000, 0.0035419500000000, -0.0001839300000000 ] - [ 0.0006853300000000, 0.0016171500000000, -0.0000454000000000 ] - [ 0.0016497300000000, 0.0057952300000000, -0.0000157900000000 ] - [ -0.0001677700000000, -0.0014545400000000, -0.0003409700000000 ] - [ 0.0000612300000000, -0.0003323300000000, -0.0000139800000000 ] - [ -0.0043488800000000, -0.0083043000000000, -0.0022443800000000 ] - [ 0.0013896300000000, 0.0025077400000000, -0.0004146300000000 ] - [ 0.0003273000000000, 0.0011054500000000, 0.0001078500000000 ] - [ 0.0012855200000000, 0.0035959600000000, 0.0001959500000000 ] - [ -0.0035968400000000, -0.0001196900000000, -0.0052192000000000 ] - [ 0.0000285700000000, -0.0004216000000000, 0.0000604300000000 ] - [ -0.0008631700000000, -0.0029404600000000, -0.0001782400000000 ] - [ 0.0017605400000000, 0.0014605600000000, 0.0009906700000000 ] - [ 0.0000991100000000, 0.0002911200000000, 0.0001230900000000 ] - [ 0.0006531800000000, 0.0018681300000000, 0.0007565500000000 ] - [ -0.0043889800000000, -0.0046714600000000, 0.0037049400000000 ] - [ -0.0000338500000000, -0.0008014800000000, -0.0001291700000000 ] - [ -0.0286624200000000, -0.0442788300000000, -0.0192846400000000 ] - [ 0.0042799400000000, 0.0063538700000000, -0.0013473400000000 ] - [ 0.0000106200000000, 0.0005751200000000, 0.0000943300000000 ] - [ 0.0010373700000000, 0.0077937400000000, -0.0009702300000000 ] - [ -0.0060048400000000, 0.0020756100000000, -0.0036383100000000 ] - [ 0.0005350100000000, -0.0005397200000000, -0.0000348800000000 ] - [ 0.0067216700000000, 0.0045290600000000, -0.0095536300000000 ] - [ 0.0040912300000000, 0.0018094400000000, 0.0038521500000000 ] - [ -0.0009164500000000, 0.0000514000000000, 0.0001123400000000 ] - [ -0.0052127100000000, 0.0061381700000000, 0.0045683400000000 ] - [ -0.0007784100000000, -0.0018506200000000, 0.0000627500000000 ] - [ 0.0008604600000000, -0.0005217300000000, 0.0004608700000000 ] - [ 0.0011012600000000, 0.0011155100000000, 0.0052768400000000 ] - [ 0.0010045900000000, 0.0000427600000000, -0.0003627200000000 ] - [ -0.0007131200000000, -0.0001537600000000, -0.0002733000000000 ] - [ -0.0027572500000000, 0.0027439600000000, -0.0043963600000000 ] - [ -0.0011012600000000, 0.0011155100000000, -0.0052768400000000 ] - [ -0.0008604600000000, -0.0005217300000000, -0.0004608700000000 ] - [ 0.0007784100000000, -0.0018506200000000, -0.0000627500000000 ] - [ 0.0027572500000000, 0.0027439600000000, 0.0043963600000000 ] - [ 0.0007131200000000, -0.0001537600000000, 0.0002733000000000 ] - [ -0.0010045900000000, 0.0000427600000000, 0.0003627200000000 ] - [ -0.0067216700000000, 0.0045290600000000, 0.0095536300000000 ] - [ -0.0005350100000000, -0.0005397200000000, 0.0000348800000000 ] - [ 0.0060048400000000, 0.0020756100000000, 0.0036383100000000 ] - [ 0.0052127100000000, 0.0061381700000000, -0.0045683400000000 ] - [ 0.0009164500000000, 0.0000514000000000, -0.0001123400000000 ] - [ -0.0040912300000000, 0.0018094400000000, -0.0038521500000000 ] - [ 0.0286624200000000, -0.0442788300000000, 0.0192846400000000 ] - [ 0.0000338500000000, -0.0008014800000000, 0.0001291700000000 ] - [ 0.0043889800000000, -0.0046714600000000, -0.0037049400000000 ] - [ -0.0010373700000000, 0.0077937400000000, 0.0009702300000000 ] - [ -0.0000106200000000, 0.0005751200000000, -0.0000943300000000 ] - [ -0.0042799400000000, 0.0063538700000000, 0.0013473400000000 ] - [ 0.0008631700000000, -0.0029404600000000, 0.0001782400000000 ] - [ -0.0000285700000000, -0.0004216000000000, -0.0000604300000000 ] - [ 0.0035968400000000, -0.0001196900000000, 0.0052192000000000 ] - [ -0.0006531800000000, 0.0018681300000000, -0.0007565500000000 ] - [ -0.0000991100000000, 0.0002911200000000, -0.0001230900000000 ] - [ -0.0017605400000000, 0.0014605600000000, -0.0009906700000000 ] - [ 0.0014156900000000, 0.0078172700000000, -0.0012132200000000 ] - [ -0.0002038200000000, 0.0009933400000000, 0.0001075700000000 ] - [ 0.0055943700000000, 0.0045173900000000, -0.0031325100000000 ] - [ -0.0041940800000000, -0.0197776600000000, -0.0073965700000000 ] - [ 0.0002391300000000, -0.0012339300000000, -0.0001350100000000 ] - [ -0.0052581000000000, -0.0041081500000000, 0.0020374000000000 ] - [ 0.0002683200000000, 0.0019480500000000, 0.0011759300000000 ] - [ 0.0004245300000000, 0.0005579000000000, -0.0002526300000000 ] - [ 0.0008599500000000, 0.0014671800000000, 0.0002872300000000 ] - [ 0.0005779700000000, -0.0012893300000000, -0.0015060800000000 ] - [ 0.0000837000000000, -0.0009654000000000, -0.0004923200000000 ] - [ -0.0011924800000000, -0.0019172400000000, -0.0002696600000000 ] - [ 0.0043488800000000, -0.0083043000000000, 0.0022443800000000 ] - [ -0.0000612300000000, -0.0003323300000000, 0.0000139800000000 ] - [ 0.0001677700000000, -0.0014545400000000, 0.0003409700000000 ] - [ -0.0012855200000000, 0.0035959600000000, -0.0001959500000000 ] - [ -0.0003273000000000, 0.0011054500000000, -0.0001078500000000 ] - [ -0.0013896300000000, 0.0025077400000000, 0.0004146300000000 ] - [ -0.0089279300000000, -0.0251233400000000, 0.0176271900000000 ] - [ 0.0005772200000000, -0.0010195300000000, -0.0000650000000000 ] - [ 0.0009410100000000, -0.0060444800000000, -0.0014203200000000 ] - [ -0.0016497300000000, 0.0057952300000000, 0.0000157900000000 ] - [ -0.0006853300000000, 0.0016171500000000, 0.0000454000000000 ] - [ -0.0009842700000000, 0.0035419500000000, 0.0001839300000000 ]- atom: 1 displacement: [ -0.0000724750264154, 0.0000000000000000, 0.0099997373650784 ] forces: - [ -0.0178610200000000, -0.0004494400000000, -0.2419711000000000 ] - [ 0.0003108500000000, -0.0006607500000000, -0.0059994400000000 ] - [ 0.0003118500000000, 0.0009065700000000, -0.0060023800000000 ] - [ -0.0031438000000000, 0.0001421900000000, -0.0073243300000000 ] - [ 0.0010222700000000, 0.0000342700000000, -0.0010618500000000 ] - [ 0.0010092500000000, 0.0002332300000000, -0.0010554400000000 ] - [ -0.0007601000000000, 0.0001069800000000, 0.0247345600000000 ] - [ -0.0000637900000000, 0.0011842700000000, 0.0052822000000000 ] - [ -0.0000818500000000, -0.0009393200000000, 0.0052914600000000 ] - [ 0.0003704700000000, 0.0001342900000000, 0.0040860800000000 ] - [ 0.0001152600000000, 0.0002636300000000, 0.0015198800000000 ] - [ 0.0000961100000000, -0.0000022200000000, 0.0015266100000000 ] - [ 0.0069735500000000, -0.0081163800000000, -0.0207730000000000 ] - [ 0.0007782800000000, 0.0007371400000000, -0.0014594400000000 ] - [ 0.0070708300000000, 0.0097119700000000, -0.0208765900000000 ] - [ 0.0080681300000000, 0.0071682800000000, -0.0204949800000000 ] - [ 0.0006210800000000, 0.0007345400000000, -0.0011655600000000 ] - [ 0.0080791900000000, -0.0057259400000000, -0.0205067700000000 ] - [ -0.0003588200000000, 0.0010500600000000, 0.0086938900000000 ] - [ -0.0000945700000000, 0.0007370400000000, 0.0015943700000000 ] - [ -0.0003685600000000, 0.0004128100000000, 0.0087106100000000 ] - [ -0.0011667000000000, -0.0011387000000000, 0.0076479600000000 ] - [ -0.0001384100000000, 0.0007348200000000, 0.0011175500000000 ] - [ -0.0011972000000000, 0.0026336500000000, 0.0076478300000000 ] - [ 0.0238144500000000, -0.0058343400000000, 0.0212111500000000 ] - [ 0.0002228900000000, -0.0004846600000000, -0.0000780600000000 ] - [ -0.0317776900000000, -0.0216763500000000, 0.0195443100000000 ] - [ 0.0015833100000000, 0.0015857200000000, 0.0011999300000000 ] - [ 0.0004624300000000, -0.0002596100000000, -0.0000115900000000 ] - [ -0.0034215000000000, 0.0020151800000000, 0.0009759500000000 ] - [ -0.0316288500000000, 0.0205958800000000, 0.0195171800000000 ] - [ 0.0002251500000000, -0.0005609200000000, -0.0000742000000000 ] - [ 0.0237338100000000, 0.0046700600000000, 0.0213207000000000 ] - [ -0.0034141900000000, -0.0030328100000000, 0.0009807000000000 ] - [ 0.0004625000000000, -0.0007797200000000, -0.0000066700000000 ] - [ 0.0015828800000000, -0.0026086400000000, 0.0012107400000000 ] - [ 0.0009205200000000, -0.0078775400000000, 0.0039134900000000 ] - [ 0.0018392100000000, -0.0013854400000000, 0.0011719500000000 ] - [ -0.0014952900000000, -0.0015999700000000, -0.0016412200000000 ] - [ 0.0054885100000000, 0.0360771400000000, 0.0313750600000000 ] - [ 0.0028378000000000, 0.0011895100000000, 0.0014324900000000 ] - [ -0.0026857300000000, 0.0017537100000000, -0.0007256100000000 ] - [ 0.0008839800000000, 0.0079670000000000, 0.0039266300000000 ] - [ -0.0015183700000000, 0.0016892800000000, -0.0016162400000000 ] - [ 0.0018692700000000, 0.0014798300000000, 0.0011663600000000 ] - [ 0.0054545400000000, -0.0356162400000000, 0.0311692400000000 ] - [ -0.0027053000000000, -0.0016690200000000, -0.0007081500000000 ] - [ 0.0028600600000000, -0.0011111600000000, 0.0014285100000000 ] - [ 0.0001277600000000, 0.0000352900000000, -0.0012436800000000 ] - [ 0.0003661600000000, 0.0000643700000000, -0.0003831400000000 ] - [ 0.0004769800000000, 0.0005736100000000, -0.0022005700000000 ] - [ -0.0004370800000000, -0.0006532100000000, -0.0018570500000000 ] - [ 0.0005179000000000, -0.0002983800000000, -0.0006859400000000 ] - [ 0.0023675800000000, -0.0025644900000000, -0.0100534900000000 ] - [ -0.0022447700000000, 0.0004717700000000, 0.0033139700000000 ] - [ -0.0009750800000000, -0.0002377200000000, 0.0009360200000000 ] - [ -0.0000617100000000, -0.0038180000000000, 0.0023914500000000 ] - [ 0.0013654300000000, 0.0026894700000000, 0.0042735400000000 ] - [ -0.0009282800000000, -0.0000578700000000, 0.0014739800000000 ] - [ -0.0058397900000000, 0.0029099000000000, 0.0200006900000000 ] - [ -0.0059960600000000, -0.0014615600000000, 0.0018397000000000 ] - [ 0.0002366600000000, 0.0006232000000000, 0.0008277500000000 ] - [ -0.0225992600000000, 0.0143348500000000, 0.0458538500000000 ] - [ -0.0007062800000000, 0.0003503000000000, 0.0004111200000000 ] - [ -0.0004577900000000, 0.0002163900000000, 0.0005816000000000 ] - [ 0.0002409900000000, 0.0014131100000000, 0.0012463700000000 ] - [ 0.0058540200000000, 0.0029107300000000, -0.0041144200000000 ] - [ -0.0001137400000000, 0.0000768600000000, -0.0008902100000000 ] - [ -0.0021508100000000, -0.0011985000000000, -0.0128742200000000 ] - [ 0.0011435600000000, 0.0004570700000000, -0.0005335100000000 ] - [ 0.0000937400000000, 0.0002420100000000, -0.0002909200000000 ] - [ 0.0005511700000000, 0.0001554600000000, -0.0012528900000000 ] - [ -0.0034236500000000, 0.0012048900000000, -0.0064787500000000 ] - [ 0.0001969300000000, 0.0000005200000000, -0.0006151100000000 ] - [ -0.0011006100000000, 0.0016645900000000, -0.0086735900000000 ] - [ -0.0005548900000000, 0.0001753400000000, -0.0015979600000000 ] - [ 0.0000392200000000, -0.0000554200000000, -0.0002737100000000 ] - [ -0.0000938800000000, -0.0005585600000000, -0.0015417200000000 ] - [ 0.0030733100000000, -0.0024138000000000, 0.0086357400000000 ] - [ -0.0002293200000000, -0.0001732900000000, 0.0006590400000000 ] - [ 0.0206009700000000, 0.0200630100000000, 0.0264938800000000 ] - [ 0.0000374600000000, -0.0021338500000000, 0.0028139500000000 ] - [ -0.0004384700000000, -0.0002546800000000, 0.0001820400000000 ] - [ 0.0007256100000000, 0.0028567900000000, 0.0017075800000000 ] - [ -0.0037472100000000, 0.0033374300000000, 0.0006178600000000 ] - [ 0.0001966600000000, -0.0000489400000000, 0.0004479500000000 ] - [ 0.0058244300000000, 0.0101826400000000, 0.0037941500000000 ] - [ -0.0015472300000000, -0.0015005000000000, -0.0004110700000000 ] - [ 0.0000858600000000, -0.0004554100000000, 0.0002501000000000 ] - [ 0.0061137600000000, -0.0084054700000000, 0.0042975300000000 ] - [ 0.0032863600000000, -0.0057354000000000, -0.0038750700000000 ] - [ -0.0007907800000000, -0.0003673000000000, -0.0005344200000000 ] - [ -0.0015391500000000, -0.0035548100000000, -0.0055349200000000 ] - [ 0.0003328300000000, 0.0001955100000000, -0.0007435800000000 ] - [ -0.0005116800000000, -0.0001867300000000, -0.0002819300000000 ] - [ -0.0020464200000000, 0.0017707500000000, -0.0033325000000000 ] - [ -0.0014145300000000, 0.0029388300000000, -0.0055960900000000 ] - [ -0.0006149700000000, -0.0002505600000000, -0.0006090500000000 ] - [ 0.0034350800000000, 0.0051248300000000, -0.0039387200000000 ] - [ -0.0019232200000000, -0.0023983100000000, -0.0034221600000000 ] - [ -0.0003403200000000, -0.0004310800000000, -0.0003586200000000 ] - [ 0.0004829200000000, -0.0008142000000000, -0.0008093800000000 ] - [ 0.0059102500000000, -0.0107020300000000, 0.0036786400000000 ] - [ 0.0003704000000000, -0.0005679300000000, 0.0003676600000000 ] - [ -0.0036238200000000, -0.0039608600000000, 0.0005287900000000 ] - [ 0.0062284700000000, 0.0077650100000000, 0.0041953900000000 ] - [ 0.0002573600000000, -0.0001616000000000, 0.0001700700000000 ] - [ -0.0014033600000000, 0.0008843400000000, -0.0004866600000000 ] - [ 0.0213321900000000, -0.0209202900000000, 0.0267158800000000 ] - [ -0.0003434900000000, 0.0000564700000000, 0.0005945300000000 ] - [ 0.0029408200000000, 0.0022922600000000, 0.0086133400000000 ] - [ 0.0006200200000000, -0.0030020900000000, 0.0016524600000000 ] - [ -0.0005535600000000, 0.0001371400000000, 0.0001179300000000 ] - [ -0.0000810700000000, 0.0019897300000000, 0.0027621900000000 ] - [ -0.0012364900000000, -0.0017826500000000, -0.0087324400000000 ] - [ 0.0000789300000000, -0.0001166700000000, -0.0006824700000000 ] - [ -0.0035588200000000, -0.0013470400000000, -0.0065659300000000 ] - [ -0.0002012800000000, 0.0004100400000000, -0.0016009400000000 ] - [ -0.0000782600000000, -0.0000621100000000, -0.0003405400000000 ] - [ -0.0006754500000000, -0.0003229100000000, -0.0016582300000000 ] - [ 0.0002574900000000, 0.0034136300000000, 0.0019179900000000 ] - [ -0.0006784200000000, -0.0001168700000000, 0.0004496700000000 ] - [ -0.0019763500000000, -0.0008738700000000, 0.0028491600000000 ] - [ -0.0053380700000000, -0.0031173100000000, 0.0195244300000000 ] - [ -0.0006299500000000, -0.0002887000000000, 0.0009867400000000 ] - [ 0.0016671000000000, -0.0030721600000000, 0.0037915000000000 ] - [ 0.0008131900000000, -0.0009462700000000, -0.0026834600000000 ] - [ 0.0006604200000000, -0.0004173400000000, -0.0008695400000000 ] - [ 0.0004290100000000, -0.0004204300000000, -0.0017404800000000 ] - [ 0.0026849500000000, 0.0021699800000000, -0.0105382800000000 ] - [ 0.0008122500000000, -0.0000499400000000, -0.0011716800000000 ] - [ -0.0001257700000000, 0.0002744300000000, -0.0023538200000000 ] - [ -0.0024669800000000, 0.0019498600000000, -0.0130205000000000 ] - [ -0.0003960100000000, 0.0006498800000000, -0.0009577500000000 ] - [ 0.0056140900000000, -0.0021915200000000, -0.0041828200000000 ] - [ 0.0002791400000000, 0.0005746400000000, -0.0013436000000000 ] - [ -0.0001887200000000, 0.0004815400000000, -0.0003597400000000 ] - [ 0.0009072800000000, 0.0002567200000000, -0.0006060900000000 ] - [ -0.0204397900000000, -0.0127880500000000, 0.0425897900000000 ] - [ -0.0000448700000000, 0.0001049100000000, 0.0007535700000000 ] - [ -0.0062510600000000, 0.0022006100000000, 0.0017627700000000 ] - [ -0.0000225700000000, -0.0006802400000000, 0.0011428500000000 ] - [ -0.0007353500000000, 0.0005040300000000, 0.0005082100000000 ] - [ -0.0009469100000000, 0.0003622800000000, 0.0003351800000000 ]- atom: 13 displacement: [ 0.0099999975103145, 0.0000000000000000, -0.0000070564653367 ] forces: - [ 0.0137875000000000, -0.0228741100000000, 0.0071413400000000 ] - [ 0.0137757400000000, 0.0232370400000000, 0.0071310700000000 ] - [ 0.0076678300000000, 0.0001322900000000, 0.0008378400000000 ] - [ 0.0133835600000000, 0.0275761700000000, 0.0081980400000000 ] - [ 0.0133743500000000, -0.0274179200000000, 0.0081702500000000 ] - [ 0.0076345600000000, 0.0001232000000000, 0.0006811100000000 ] - [ -0.0022413600000000, -0.0010445100000000, -0.0003869900000000 ] - [ -0.0022594600000000, 0.0013015000000000, -0.0003889300000000 ] - [ 0.0057085000000000, 0.0001296600000000, -0.0000512600000000 ] - [ -0.0007535800000000, 0.0031902900000000, -0.0011950600000000 ] - [ -0.0007676500000000, -0.0029304500000000, -0.0011947600000000 ] - [ 0.0054582400000000, 0.0001272000000000, -0.0000965900000000 ] - [ -0.2287116400000000, 0.0021597200000000, 0.0230885600000000 ] - [ 0.0145788800000000, 0.0019749800000000, 0.0000364300000000 ] - [ 0.0145240900000000, -0.0004965800000000, 0.0000367200000000 ] - [ -0.0127142100000000, 0.0007337400000000, 0.0038677700000000 ] - [ 0.0049781000000000, -0.0002346000000000, -0.0011617400000000 ] - [ 0.0049885800000000, 0.0016998700000000, -0.0011614800000000 ] - [ -0.0134498100000000, 0.0007347000000000, -0.0016467100000000 ] - [ 0.0046068900000000, 0.0007659000000000, 0.0010052600000000 ] - [ 0.0046197400000000, 0.0007045200000000, 0.0010077300000000 ] - [ -0.0050977500000000, 0.0007328600000000, 0.0001055200000000 ] - [ 0.0023165800000000, 0.0001096900000000, -0.0003317100000000 ] - [ 0.0023299000000000, 0.0013574100000000, -0.0003323700000000 ] - [ -0.0379342100000000, 0.0092793800000000, -0.0067340900000000 ] - [ 0.0061846700000000, 0.0025923700000000, 0.0033260200000000 ] - [ 0.0066822800000000, -0.0036050600000000, -0.0043264100000000 ] - [ -0.0168741500000000, 0.0008910600000000, -0.0009126500000000 ] - [ 0.0050461000000000, -0.0021363000000000, 0.0026972700000000 ] - [ 0.0060771900000000, 0.0028480400000000, -0.0028287300000000 ] - [ -0.0379533900000000, -0.0104068000000000, -0.0066267700000000 ] - [ 0.0066770000000000, 0.0025843600000000, -0.0043374900000000 ] - [ 0.0061930700000000, -0.0036266200000000, 0.0033023000000000 ] - [ -0.0168534200000000, -0.0019096400000000, -0.0009026200000000 ] - [ 0.0060684200000000, -0.0038986300000000, -0.0028318600000000 ] - [ 0.0050543100000000, 0.0010851500000000, 0.0026854000000000 ] - [ 0.0138445000000000, 0.0017185500000000, -0.0281254300000000 ] - [ 0.0131178000000000, -0.0109874100000000, 0.0197351100000000 ] - [ 0.0062637100000000, -0.0002310000000000, 0.0000499400000000 ] - [ -0.0015847700000000, -0.0016395800000000, -0.0028681100000000 ] - [ -0.0014008500000000, 0.0013481800000000, 0.0020621900000000 ] - [ 0.0042121600000000, -0.0000671800000000, 0.0004929900000000 ] - [ 0.0131273500000000, 0.0110663800000000, 0.0195871800000000 ] - [ 0.0138576300000000, -0.0016719700000000, -0.0282810000000000 ] - [ 0.0062636300000000, 0.0003178200000000, 0.0000419700000000 ] - [ -0.0013789700000000, -0.0012553200000000, 0.0020547000000000 ] - [ -0.0016103500000000, 0.0017291300000000, -0.0028648800000000 ] - [ 0.0042131200000000, 0.0001577300000000, 0.0004911400000000 ] - [ 0.0035729700000000, -0.0000645500000000, -0.0047642100000000 ] - [ -0.0027752300000000, 0.0010108200000000, 0.0005918500000000 ] - [ -0.0009787100000000, -0.0001310200000000, 0.0017312700000000 ] - [ 0.0016832200000000, -0.0012050300000000, -0.0006005800000000 ] - [ -0.0020593000000000, 0.0005691100000000, 0.0005484000000000 ] - [ -0.0000239700000000, -0.0000132800000000, 0.0008679600000000 ] - [ 0.0482558100000000, -0.0345470600000000, -0.0273727900000000 ] - [ -0.0049132100000000, 0.0019349300000000, 0.0015024900000000 ] - [ -0.0078123100000000, -0.0010870100000000, -0.0011196400000000 ] - [ 0.0035642000000000, -0.0058211200000000, -0.0002809600000000 ] - [ -0.0030232900000000, 0.0008815900000000, 0.0008683400000000 ] - [ -0.0017553500000000, 0.0028031800000000, -0.0011648700000000 ] - [ 0.0053187300000000, -0.0024723800000000, -0.0045505800000000 ] - [ -0.0029355400000000, -0.0008899200000000, 0.0009503900000000 ] - [ -0.0022529300000000, 0.0023117000000000, 0.0029685500000000 ] - [ 0.0076888300000000, 0.0109203800000000, -0.0074323900000000 ] - [ -0.0032361600000000, 0.0001020800000000, 0.0007426700000000 ] - [ -0.0071434100000000, -0.0056315000000000, 0.0035089200000000 ] - [ 0.0037331100000000, 0.0009382700000000, -0.0002150000000000 ] - [ -0.0028423000000000, -0.0008461700000000, 0.0015772400000000 ] - [ 0.0004850300000000, 0.0010822500000000, -0.0009188400000000 ] - [ 0.0035686500000000, 0.0056377400000000, 0.0047724900000000 ] - [ -0.0025590000000000, -0.0001370900000000, 0.0013382300000000 ] - [ -0.0009664200000000, -0.0010302600000000, -0.0010788400000000 ] - [ 0.0052858800000000, -0.0016295000000000, 0.0016600600000000 ] - [ -0.0032034100000000, -0.0013082600000000, -0.0016333300000000 ] - [ 0.0000093700000000, 0.0005407200000000, 0.0008891300000000 ] - [ 0.0032365900000000, 0.0015040700000000, 0.0011046900000000 ] - [ -0.0021595100000000, -0.0003923500000000, -0.0012067700000000 ] - [ -0.0008093300000000, -0.0012295600000000, 0.0003773400000000 ] - [ 0.0181663000000000, -0.0041121500000000, 0.0044221100000000 ] - [ -0.0045628200000000, -0.0028004700000000, -0.0006417500000000 ] - [ -0.0059922900000000, 0.0007897200000000, -0.0029840300000000 ] - [ 0.0071427100000000, 0.0079765300000000, 0.0022947100000000 ] - [ -0.0029153900000000, -0.0007067000000000, -0.0009265700000000 ] - [ -0.0060424100000000, -0.0046211400000000, -0.0035017800000000 ] - [ 0.0330698700000000, -0.0002094700000000, 0.0188734900000000 ] - [ -0.0040513600000000, -0.0001079000000000, -0.0019627200000000 ] - [ -0.0081003300000000, 0.0031275400000000, 0.0018412500000000 ] - [ 0.0031479100000000, -0.0006838800000000, 0.0003497000000000 ] - [ -0.0025122800000000, 0.0004874500000000, -0.0007896100000000 ] - [ -0.0006889100000000, -0.0006581000000000, 0.0003884600000000 ] - [ 0.0086713000000000, -0.0031328500000000, 0.0067593800000000 ] - [ -0.0029427000000000, 0.0002249700000000, 0.0000367400000000 ] - [ -0.0037964300000000, 0.0009721800000000, -0.0033040700000000 ] - [ 0.0022201400000000, -0.0009430900000000, 0.0008256600000000 ] - [ -0.0020292600000000, 0.0008562000000000, 0.0001693400000000 ] - [ -0.0003525200000000, -0.0005957500000000, -0.0006964200000000 ] - [ 0.0087959200000000, 0.0025131300000000, 0.0066715700000000 ] - [ -0.0036274900000000, -0.0015834100000000, -0.0033901900000000 ] - [ -0.0027855700000000, -0.0008438900000000, -0.0000415900000000 ] - [ 0.0023561200000000, 0.0003299300000000, 0.0007430700000000 ] - [ -0.0001942100000000, -0.0000164400000000, -0.0007812700000000 ] - [ -0.0018723500000000, -0.0014712400000000, 0.0000931900000000 ] - [ 0.0326221500000000, -0.0001494400000000, 0.0175829600000000 ] - [ -0.0079593900000000, -0.0037486700000000, 0.0017803900000000 ] - [ -0.0038894300000000, -0.0005128200000000, -0.0020290600000000 ] - [ 0.0032829900000000, 0.0000712800000000, 0.0002690700000000 ] - [ -0.0005307000000000, 0.0000470100000000, 0.0003047000000000 ] - [ -0.0023557200000000, -0.0011041400000000, -0.0008641600000000 ] - [ 0.0176098200000000, 0.0044931900000000, 0.0046675500000000 ] - [ -0.0061078700000000, -0.0009462700000000, -0.0030564200000000 ] - [ -0.0046802400000000, 0.0026638800000000, -0.0007070100000000 ] - [ 0.0070210200000000, -0.0081278300000000, 0.0022255100000000 ] - [ -0.0061505100000000, 0.0044972500000000, -0.0035649500000000 ] - [ -0.0030397000000000, 0.0005818000000000, -0.0009897700000000 ] - [ 0.0051612600000000, 0.0014991800000000, 0.0015783700000000 ] - [ -0.0000906300000000, -0.0006777700000000, 0.0008341100000000 ] - [ -0.0033259000000000, 0.0011800400000000, -0.0016928200000000 ] - [ 0.0031159700000000, -0.0016443700000000, 0.0010455000000000 ] - [ -0.0009121900000000, 0.0010969400000000, 0.0003185200000000 ] - [ -0.0022824400000000, 0.0002652000000000, -0.0012680600000000 ] - [ 0.0468966100000000, 0.0320366800000000, -0.0263498500000000 ] - [ -0.0075095700000000, 0.0007523200000000, -0.0016231100000000 ] - [ -0.0046104800000000, -0.0022968900000000, 0.0010101300000000 ] - [ 0.0038778100000000, 0.0054458100000000, -0.0007725000000000 ] - [ -0.0014308300000000, -0.0031611600000000, -0.0016529600000000 ] - [ -0.0027286200000000, -0.0012502600000000, 0.0003790200000000 ] - [ 0.0038882900000000, -0.0003251900000000, -0.0052676300000000 ] - [ -0.0006560000000000, -0.0002257100000000, 0.0012502000000000 ] - [ -0.0024800400000000, -0.0013771500000000, 0.0001046600000000 ] - [ 0.0019965100000000, 0.0008291600000000, -0.0010882200000000 ] - [ 0.0003006500000000, -0.0003425300000000, 0.0003805800000000 ] - [ -0.0017648200000000, -0.0009369700000000, 0.0000599600000000 ] - [ 0.0034577800000000, -0.0001972600000000, -0.0002842100000000 ] - [ 0.0002186400000000, -0.0003548400000000, -0.0010088100000000 ] - [ -0.0031036400000000, 0.0015665500000000, 0.0015041000000000 ] - [ 0.0033054200000000, -0.0049201000000000, 0.0047117200000000 ] - [ -0.0012366300000000, 0.0017642400000000, -0.0011736400000000 ] - [ -0.0028226900000000, 0.0008624100000000, 0.0012650900000000 ] - [ 0.0050430100000000, 0.0032102600000000, -0.0046311300000000 ] - [ -0.0025148500000000, -0.0015869300000000, 0.0028812800000000 ] - [ -0.0031977600000000, 0.0016100500000000, 0.0008805400000000 ] - [ 0.0074099300000000, -0.0101594700000000, -0.0074758400000000 ] - [ -0.0074159100000000, 0.0063795400000000, 0.0034364100000000 ] - [ -0.0034986800000000, 0.0006258700000000, 0.0006736700000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0273845300000000, 0.0210386300000000, -0.0091523400000000 ] - [ 0.0273845300000000, 0.0210386300000000, 0.0091523400000000 ] - [ 0.0000000000000000, 0.0001138800000000, 0.0000000000000000 ] - [ 0.0224866200000000, 0.0207801000000000, 0.0066835000000000 ] - [ -0.0224866200000000, 0.0207801000000000, -0.0066835000000000 ] - [ 0.0000000000000000, -0.0000807200000000, 0.0000000000000000 ] - [ -0.0034450100000000, 0.0009748800000000, 0.0002941400000000 ] - [ 0.0034450100000000, 0.0009748800000000, -0.0002941400000000 ] - [ 0.0000000000000000, 0.0007557400000000, 0.0000000000000000 ] - [ 0.0020407600000000, -0.0002792900000000, -0.0018798000000000 ] - [ -0.0020407600000000, -0.0002792900000000, 0.0018798000000000 ] - [ 0.0000000000000000, -0.0002958700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.2097696400000000, 0.0000000000000000 ] - [ -0.0012489700000000, -0.0054622600000000, -0.0016043700000000 ] - [ 0.0012489700000000, -0.0054622600000000, 0.0016043700000000 ] - [ 0.0000000000000000, 0.0158181600000000, 0.0000000000000000 ] - [ 0.0009748100000000, 0.0062651500000000, -0.0000096300000000 ] - [ -0.0009748100000000, 0.0062651500000000, 0.0000096300000000 ] - [ 0.0000000000000000, -0.0055013600000000, 0.0000000000000000 ] - [ -0.0000376900000000, -0.0021462200000000, 0.0007824000000000 ] - [ 0.0000376900000000, -0.0021462200000000, -0.0007824000000000 ] - [ 0.0000000000000000, 0.0069433400000000, 0.0000000000000000 ] - [ 0.0006262900000000, 0.0033051200000000, 0.0001831800000000 ] - [ -0.0006262900000000, 0.0033051200000000, -0.0001831800000000 ] - [ 0.0091773100000000, 0.0058595100000000, 0.0399168000000000 ] - [ 0.0034776400000000, -0.0014725500000000, 0.0019974100000000 ] - [ -0.0028023800000000, -0.0039771000000000, 0.0004702600000000 ] - [ 0.0003360300000000, 0.0129524600000000, -0.0091523300000000 ] - [ -0.0024750400000000, 0.0011097700000000, -0.0020021700000000 ] - [ 0.0034073200000000, 0.0032810500000000, -0.0017825000000000 ] - [ -0.0091773100000000, 0.0058595100000000, -0.0399168000000000 ] - [ 0.0028023800000000, -0.0039771000000000, -0.0004702600000000 ] - [ -0.0034776400000000, -0.0014725500000000, -0.0019974100000000 ] - [ -0.0003360300000000, 0.0129524600000000, 0.0091523300000000 ] - [ -0.0034073200000000, 0.0032810500000000, 0.0017825000000000 ] - [ 0.0024750400000000, 0.0011097700000000, 0.0020021700000000 ] - [ 0.0112798800000000, -0.0119094600000000, -0.0184928900000000 ] - [ -0.0011386500000000, -0.0132738600000000, -0.0050750300000000 ] - [ 0.0001568300000000, -0.0014749900000000, -0.0003138900000000 ] - [ -0.0011767900000000, 0.0067255600000000, 0.0018797000000000 ] - [ 0.0014962500000000, 0.0070085400000000, 0.0024168900000000 ] - [ 0.0001155800000000, 0.0015403800000000, 0.0002368400000000 ] - [ 0.0011386500000000, -0.0132738600000000, 0.0050750300000000 ] - [ -0.0112798800000000, -0.0119094600000000, 0.0184928900000000 ] - [ -0.0001568300000000, -0.0014749900000000, 0.0003138900000000 ] - [ -0.0014962500000000, 0.0070085400000000, -0.0024168900000000 ] - [ 0.0011767900000000, 0.0067255600000000, -0.0018797000000000 ] - [ -0.0001155800000000, 0.0015403800000000, -0.0002368400000000 ] - [ -0.0006800100000000, 0.0034499400000000, -0.0000953600000000 ] - [ -0.0003648800000000, 0.0005614400000000, 0.0003483300000000 ] - [ -0.0012552500000000, 0.0017540800000000, 0.0011204100000000 ] - [ 0.0005049600000000, -0.0026026500000000, -0.0007073000000000 ] - [ -0.0001127200000000, -0.0008591000000000, 0.0001960000000000 ] - [ 0.0012135800000000, -0.0021185400000000, -0.0002497300000000 ] - [ -0.0280447400000000, 0.0399403300000000, 0.0205355700000000 ] - [ -0.0001004200000000, 0.0006579700000000, 0.0003690500000000 ] - [ -0.0048968600000000, 0.0047502300000000, -0.0032141000000000 ] - [ 0.0012188400000000, -0.0082356300000000, 0.0007044000000000 ] - [ -0.0001976500000000, -0.0009297300000000, 0.0001630900000000 ] - [ 0.0041101800000000, -0.0063994800000000, 0.0014331400000000 ] - [ -0.0032949100000000, -0.0055172500000000, -0.0041553800000000 ] - [ -0.0007184700000000, -0.0001308400000000, 0.0001314800000000 ] - [ 0.0050167000000000, -0.0008305300000000, -0.0040827200000000 ] - [ 0.0061981900000000, -0.0050575900000000, 0.0100853400000000 ] - [ 0.0007325200000000, 0.0006445900000000, 0.0001298900000000 ] - [ -0.0080593100000000, -0.0041792600000000, 0.0033495800000000 ] - [ -0.0025723700000000, -0.0025335000000000, 0.0037633100000000 ] - [ -0.0000664400000000, 0.0001085700000000, 0.0001033700000000 ] - [ 0.0016494900000000, 0.0003671100000000, 0.0005005100000000 ] - [ 0.0008344000000000, -0.0018803500000000, -0.0064560700000000 ] - [ 0.0007278700000000, 0.0008236400000000, -0.0003247100000000 ] - [ -0.0014361400000000, 0.0004309300000000, -0.0007695500000000 ] - [ -0.0026365200000000, 0.0025786900000000, -0.0056880400000000 ] - [ -0.0005465500000000, 0.0004434900000000, -0.0007968100000000 ] - [ 0.0013542500000000, 0.0012698400000000, 0.0002881300000000 ] - [ 0.0005252000000000, -0.0020511100000000, 0.0020022700000000 ] - [ 0.0002929100000000, -0.0007036700000000, 0.0006003100000000 ] - [ -0.0006407500000000, -0.0013365000000000, 0.0004719000000000 ] - [ 0.0079383600000000, 0.0216754200000000, -0.0082819000000000 ] - [ 0.0001373600000000, 0.0011027900000000, -0.0000731200000000 ] - [ 0.0059589500000000, 0.0037225400000000, 0.0024593200000000 ] - [ -0.0016344200000000, -0.0086106900000000, -0.0002072500000000 ] - [ 0.0004503100000000, -0.0011254400000000, 0.0005295000000000 ] - [ -0.0058428100000000, -0.0047996500000000, -0.0028470600000000 ] - [ 0.0071644900000000, 0.0218370600000000, 0.0168510400000000 ] - [ -0.0006358000000000, 0.0011477200000000, 0.0004293700000000 ] - [ -0.0024838500000000, 0.0057965700000000, -0.0004562100000000 ] - [ 0.0014434000000000, -0.0055207100000000, -0.0002186400000000 ] - [ 0.0003897300000000, -0.0015851600000000, -0.0000404100000000 ] - [ 0.0004569300000000, -0.0029971700000000, -0.0000643500000000 ] - [ -0.0042976200000000, 0.0081824600000000, 0.0004415800000000 ] - [ -0.0005243300000000, 0.0006910700000000, 0.0000537100000000 ] - [ 0.0010609200000000, 0.0010327000000000, 0.0010013700000000 ] - [ 0.0012470800000000, -0.0042076900000000, -0.0006803500000000 ] - [ 0.0004382600000000, -0.0016712800000000, -0.0003804500000000 ] - [ 0.0002748900000000, -0.0019228700000000, -0.0000387500000000 ] - [ 0.0042976200000000, 0.0081824600000000, -0.0004415800000000 ] - [ -0.0010609200000000, 0.0010327000000000, -0.0010013700000000 ] - [ 0.0005243300000000, 0.0006910700000000, -0.0000537100000000 ] - [ -0.0012470800000000, -0.0042076900000000, 0.0006803500000000 ] - [ -0.0002748900000000, -0.0019228700000000, 0.0000387500000000 ] - [ -0.0004382600000000, -0.0016712800000000, 0.0003804500000000 ] - [ -0.0071644900000000, 0.0218370600000000, -0.0168510400000000 ] - [ 0.0024838500000000, 0.0057965700000000, 0.0004562100000000 ] - [ 0.0006358000000000, 0.0011477200000000, -0.0004293700000000 ] - [ -0.0014434000000000, -0.0055207100000000, 0.0002186400000000 ] - [ -0.0004569300000000, -0.0029971700000000, 0.0000643500000000 ] - [ -0.0003897300000000, -0.0015851600000000, 0.0000404100000000 ] - [ -0.0079383600000000, 0.0216754200000000, 0.0082819000000000 ] - [ -0.0059589500000000, 0.0037225400000000, -0.0024593200000000 ] - [ -0.0001373600000000, 0.0011027900000000, 0.0000731200000000 ] - [ 0.0016344200000000, -0.0086106900000000, 0.0002072500000000 ] - [ 0.0058428100000000, -0.0047996500000000, 0.0028470600000000 ] - [ -0.0004503100000000, -0.0011254400000000, -0.0005295000000000 ] - [ 0.0026365200000000, 0.0025786900000000, 0.0056880400000000 ] - [ -0.0013542500000000, 0.0012698400000000, -0.0002881300000000 ] - [ 0.0005465500000000, 0.0004434900000000, 0.0007968100000000 ] - [ -0.0005252000000000, -0.0020511100000000, -0.0020022700000000 ] - [ 0.0006407500000000, -0.0013365000000000, -0.0004719000000000 ] - [ -0.0002929100000000, -0.0007036700000000, -0.0006003100000000 ] - [ 0.0280447400000000, 0.0399403300000000, -0.0205355700000000 ] - [ 0.0048968600000000, 0.0047502300000000, 0.0032141000000000 ] - [ 0.0001004200000000, 0.0006579700000000, -0.0003690500000000 ] - [ -0.0012188400000000, -0.0082356300000000, -0.0007044000000000 ] - [ -0.0041101800000000, -0.0063994800000000, -0.0014331400000000 ] - [ 0.0001976500000000, -0.0009297300000000, -0.0001630900000000 ] - [ 0.0006800100000000, 0.0034499400000000, 0.0000953600000000 ] - [ 0.0012552500000000, 0.0017540800000000, -0.0011204100000000 ] - [ 0.0003648800000000, 0.0005614400000000, -0.0003483300000000 ] - [ -0.0005049600000000, -0.0026026500000000, 0.0007073000000000 ] - [ -0.0012135800000000, -0.0021185400000000, 0.0002497300000000 ] - [ 0.0001127200000000, -0.0008591000000000, -0.0001960000000000 ] - [ 0.0025723700000000, -0.0025335000000000, -0.0037633100000000 ] - [ -0.0016494900000000, 0.0003671100000000, -0.0005005100000000 ] - [ 0.0000664400000000, 0.0001085700000000, -0.0001033700000000 ] - [ -0.0008344000000000, -0.0018803500000000, 0.0064560700000000 ] - [ 0.0014361400000000, 0.0004309300000000, 0.0007695500000000 ] - [ -0.0007278700000000, 0.0008236400000000, 0.0003247100000000 ] - [ 0.0032949100000000, -0.0055172500000000, 0.0041553800000000 ] - [ -0.0050167000000000, -0.0008305300000000, 0.0040827200000000 ] - [ 0.0007184700000000, -0.0001308400000000, -0.0001314800000000 ] - [ -0.0061981900000000, -0.0050575900000000, -0.0100853400000000 ] - [ 0.0080593100000000, -0.0041792600000000, -0.0033495800000000 ] - [ -0.0007325200000000, 0.0006445900000000, -0.0001298900000000 ]- atom: 13 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0271079000000000, -0.0206488000000000, 0.0090722400000000 ] - [ -0.0271079000000000, -0.0206488000000000, -0.0090722400000000 ] - [ 0.0000000000000000, 0.0001338700000000, 0.0000000000000000 ] - [ -0.0225505300000000, -0.0204390600000000, -0.0065372000000000 ] - [ 0.0225505300000000, -0.0204390600000000, 0.0065372000000000 ] - [ 0.0000000000000000, 0.0003416800000000, 0.0000000000000000 ] - [ 0.0034185500000000, -0.0007313300000000, -0.0002932600000000 ] - [ -0.0034185500000000, -0.0007313300000000, 0.0002932600000000 ] - [ 0.0000000000000000, -0.0005058700000000, 0.0000000000000000 ] - [ -0.0020381200000000, 0.0005631800000000, 0.0018640700000000 ] - [ 0.0020381200000000, 0.0005631800000000, -0.0018640700000000 ] - [ 0.0000000000000000, 0.0005576300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.2117528000000000, 0.0000000000000000 ] - [ 0.0012243800000000, 0.0069034500000000, 0.0015974100000000 ] - [ -0.0012243800000000, 0.0069034500000000, -0.0015974100000000 ] - [ 0.0000000000000000, -0.0142790500000000, 0.0000000000000000 ] - [ -0.0009596200000000, -0.0047678400000000, 0.0000054800000000 ] - [ 0.0009596200000000, -0.0047678400000000, -0.0000054800000000 ] - [ 0.0000000000000000, 0.0069302900000000, 0.0000000000000000 ] - [ 0.0000223500000000, 0.0036091800000000, -0.0007934000000000 ] - [ -0.0000223500000000, 0.0036091800000000, 0.0007934000000000 ] - [ 0.0000000000000000, -0.0054558700000000, 0.0000000000000000 ] - [ -0.0006220400000000, -0.0018257800000000, -0.0001787100000000 ] - [ 0.0006220400000000, -0.0018257800000000, 0.0001787100000000 ] - [ -0.0090662800000000, -0.0069450200000000, -0.0395161400000000 ] - [ -0.0034736800000000, 0.0004050400000000, -0.0019750400000000 ] - [ 0.0027953100000000, 0.0029100600000000, -0.0004718200000000 ] - [ -0.0004127800000000, -0.0139861800000000, 0.0092017900000000 ] - [ 0.0024732700000000, -0.0021402300000000, 0.0019972300000000 ] - [ -0.0033861600000000, -0.0042920000000000, 0.0017695900000000 ] - [ 0.0090662800000000, -0.0069450200000000, 0.0395161400000000 ] - [ -0.0027953100000000, 0.0029100600000000, 0.0004718200000000 ] - [ 0.0034736800000000, 0.0004050400000000, 0.0019750400000000 ] - [ 0.0004127800000000, -0.0139861800000000, -0.0092017900000000 ] - [ 0.0033861600000000, -0.0042920000000000, -0.0017695900000000 ] - [ -0.0024732700000000, -0.0021402300000000, -0.0019972300000000 ] - [ -0.0112099900000000, 0.0119787500000000, 0.0183864900000000 ] - [ 0.0010919300000000, 0.0134892100000000, 0.0050631800000000 ] - [ -0.0001558200000000, 0.0015652000000000, 0.0003132300000000 ] - [ 0.0011661800000000, -0.0066098500000000, -0.0018622000000000 ] - [ -0.0014837800000000, -0.0068884400000000, -0.0023831000000000 ] - [ -0.0001146000000000, -0.0014453200000000, -0.0002340600000000 ] - [ -0.0010919300000000, 0.0134892100000000, -0.0050631800000000 ] - [ 0.0112099900000000, 0.0119787500000000, -0.0183864900000000 ] - [ 0.0001558200000000, 0.0015652000000000, -0.0003132300000000 ] - [ 0.0014837800000000, -0.0068884400000000, 0.0023831000000000 ] - [ -0.0011661800000000, -0.0066098500000000, 0.0018622000000000 ] - [ 0.0001146000000000, -0.0014453200000000, 0.0002340600000000 ] - [ 0.0003564100000000, -0.0038487900000000, 0.0006136900000000 ] - [ 0.0000696900000000, -0.0009299600000000, 0.0001399000000000 ] - [ 0.0009342900000000, -0.0021138600000000, -0.0006303100000000 ] - [ -0.0008235600000000, 0.0022209900000000, 0.0011877400000000 ] - [ -0.0001860400000000, 0.0004927700000000, 0.0002922900000000 ] - [ -0.0015231800000000, 0.0017526000000000, 0.0007328000000000 ] - [ 0.0296835900000000, -0.0418369600000000, -0.0213265000000000 ] - [ -0.0001926200000000, -0.0010249900000000, 0.0001188600000000 ] - [ 0.0045587200000000, -0.0051232700000000, 0.0036993600000000 ] - [ -0.0015448300000000, 0.0078031200000000, -0.0002033700000000 ] - [ -0.0001021000000000, 0.0005630500000000, 0.0003262300000000 ] - [ -0.0043941800000000, 0.0060004300000000, -0.0009360300000000 ] - [ 0.0035243900000000, 0.0062361700000000, 0.0042083400000000 ] - [ 0.0009787100000000, 0.0008567800000000, -0.0000604300000000 ] - [ -0.0047163000000000, 0.0015656800000000, 0.0041439500000000 ] - [ -0.0060453200000000, 0.0058557900000000, -0.0101087500000000 ] - [ -0.0004689500000000, 0.0000752400000000, -0.0000560900000000 ] - [ 0.0082721400000000, 0.0048528800000000, -0.0032569900000000 ] - [ 0.0028293600000000, 0.0032670000000000, -0.0036636300000000 ] - [ 0.0003296400000000, 0.0006164500000000, -0.0000315100000000 ] - [ -0.0013609600000000, 0.0003724000000000, -0.0004114700000000 ] - [ -0.0005962100000000, 0.0025672500000000, 0.0065118000000000 ] - [ -0.0004624100000000, -0.0001007700000000, 0.0003950400000000 ] - [ 0.0017173400000000, 0.0002938100000000, 0.0008643500000000 ] - [ 0.0027363100000000, -0.0026853900000000, 0.0057054200000000 ] - [ 0.0006721800000000, -0.0005641500000000, 0.0008573200000000 ] - [ -0.0012371800000000, -0.0013889500000000, -0.0002257200000000 ] - [ -0.0004155900000000, 0.0018988400000000, -0.0019571900000000 ] - [ -0.0001737000000000, 0.0005704600000000, -0.0005385900000000 ] - [ 0.0007490900000000, 0.0011974300000000, -0.0004062800000000 ] - [ -0.0067684000000000, -0.0204927900000000, 0.0074452600000000 ] - [ -0.0000118200000000, -0.0012224700000000, 0.0001350700000000 ] - [ -0.0058167700000000, -0.0038165900000000, -0.0023747000000000 ] - [ 0.0017187500000000, 0.0084181100000000, 0.0002751500000000 ] - [ -0.0003283200000000, 0.0009880100000000, -0.0004636600000000 ] - [ 0.0059312400000000, 0.0046452100000000, 0.0028934700000000 ] - [ -0.0073305200000000, -0.0227661200000000, -0.0168081000000000 ] - [ 0.0004777800000000, -0.0017588400000000, -0.0003532500000000 ] - [ 0.0023031700000000, -0.0063657400000000, 0.0005322500000000 ] - [ -0.0015794700000000, 0.0048990100000000, 0.0002933400000000 ] - [ -0.0005475400000000, 0.0009617000000000, 0.0001138500000000 ] - [ -0.0005991000000000, 0.0023665900000000, 0.0001473900000000 ] - [ 0.0041490600000000, -0.0087401500000000, -0.0003676400000000 ] - [ 0.0003666100000000, -0.0013035400000000, 0.0000232200000000 ] - [ -0.0012479200000000, -0.0016303900000000, -0.0009362100000000 ] - [ -0.0013874300000000, 0.0035877900000000, 0.0007690600000000 ] - [ -0.0005937900000000, 0.0010454600000000, 0.0004514800000000 ] - [ -0.0004208100000000, 0.0013007100000000, 0.0001277200000000 ] - [ -0.0041490600000000, -0.0087401500000000, 0.0003676400000000 ] - [ 0.0012479200000000, -0.0016303900000000, 0.0009362100000000 ] - [ -0.0003666100000000, -0.0013035400000000, -0.0000232200000000 ] - [ 0.0013874300000000, 0.0035877900000000, -0.0007690600000000 ] - [ 0.0004208100000000, 0.0013007100000000, -0.0001277200000000 ] - [ 0.0005937900000000, 0.0010454600000000, -0.0004514800000000 ] - [ 0.0073305200000000, -0.0227661200000000, 0.0168081000000000 ] - [ -0.0023031700000000, -0.0063657400000000, -0.0005322500000000 ] - [ -0.0004777800000000, -0.0017588400000000, 0.0003532500000000 ] - [ 0.0015794700000000, 0.0048990100000000, -0.0002933400000000 ] - [ 0.0005991000000000, 0.0023665900000000, -0.0001473900000000 ] - [ 0.0005475400000000, 0.0009617000000000, -0.0001138500000000 ] - [ 0.0067684000000000, -0.0204927900000000, -0.0074452600000000 ] - [ 0.0058167700000000, -0.0038165900000000, 0.0023747000000000 ] - [ 0.0000118200000000, -0.0012224700000000, -0.0001350700000000 ] - [ -0.0017187500000000, 0.0084181100000000, -0.0002751500000000 ] - [ -0.0059312400000000, 0.0046452100000000, -0.0028934700000000 ] - [ 0.0003283200000000, 0.0009880100000000, 0.0004636600000000 ] - [ -0.0027363100000000, -0.0026853900000000, -0.0057054200000000 ] - [ 0.0012371800000000, -0.0013889500000000, 0.0002257200000000 ] - [ -0.0006721800000000, -0.0005641500000000, -0.0008573200000000 ] - [ 0.0004155900000000, 0.0018988400000000, 0.0019571900000000 ] - [ -0.0007490900000000, 0.0011974300000000, 0.0004062800000000 ] - [ 0.0001737000000000, 0.0005704600000000, 0.0005385900000000 ] - [ -0.0296835900000000, -0.0418369600000000, 0.0213265000000000 ] - [ -0.0045587200000000, -0.0051232700000000, -0.0036993600000000 ] - [ 0.0001926200000000, -0.0010249900000000, -0.0001188600000000 ] - [ 0.0015448300000000, 0.0078031200000000, 0.0002033700000000 ] - [ 0.0043941800000000, 0.0060004300000000, 0.0009360300000000 ] - [ 0.0001021000000000, 0.0005630500000000, -0.0003262300000000 ] - [ -0.0003564100000000, -0.0038487900000000, -0.0006136900000000 ] - [ -0.0009342900000000, -0.0021138600000000, 0.0006303100000000 ] - [ -0.0000696900000000, -0.0009299600000000, -0.0001399000000000 ] - [ 0.0008235600000000, 0.0022209900000000, -0.0011877400000000 ] - [ 0.0015231800000000, 0.0017526000000000, -0.0007328000000000 ] - [ 0.0001860400000000, 0.0004927700000000, -0.0002922900000000 ] - [ -0.0028293600000000, 0.0032670000000000, 0.0036636300000000 ] - [ 0.0013609600000000, 0.0003724000000000, 0.0004114700000000 ] - [ -0.0003296400000000, 0.0006164500000000, 0.0000315100000000 ] - [ 0.0005962100000000, 0.0025672500000000, -0.0065118000000000 ] - [ -0.0017173400000000, 0.0002938100000000, -0.0008643500000000 ] - [ 0.0004624100000000, -0.0001007700000000, -0.0003950400000000 ] - [ -0.0035243900000000, 0.0062361700000000, -0.0042083400000000 ] - [ 0.0047163000000000, 0.0015656800000000, -0.0041439500000000 ] - [ -0.0009787100000000, 0.0008567800000000, 0.0000604300000000 ] - [ 0.0060453200000000, 0.0058557900000000, 0.0101087500000000 ] - [ -0.0082721400000000, 0.0048528800000000, 0.0032569900000000 ] - [ 0.0004689500000000, 0.0000752400000000, 0.0000560900000000 ]- atom: 13 displacement: [ -0.0000724750264154, 0.0000000000000000, 0.0099997373650784 ] forces: - [ -0.0086315100000000, 0.0063021300000000, -0.0209441000000000 ] - [ -0.0086294700000000, -0.0060683700000000, -0.0209348800000000 ] - [ -0.0006110800000000, 0.0001274400000000, -0.0014670500000000 ] - [ -0.0070422500000000, -0.0081544800000000, -0.0205658500000000 ] - [ -0.0071222300000000, 0.0085211000000000, -0.0206583100000000 ] - [ -0.0007172500000000, 0.0001269000000000, -0.0011715100000000 ] - [ 0.0004773800000000, -0.0021684500000000, 0.0087121500000000 ] - [ 0.0005189200000000, 0.0024429100000000, 0.0087015000000000 ] - [ 0.0000077100000000, 0.0001273100000000, 0.0015986200000000 ] - [ 0.0008520300000000, 0.0016763800000000, 0.0076571400000000 ] - [ 0.0008699000000000, -0.0014366900000000, 0.0076647800000000 ] - [ -0.0002313100000000, 0.0001272600000000, 0.0011196100000000 ] - [ 0.0245303100000000, 0.0002078000000000, -0.2375345400000000 ] - [ -0.0000794700000000, 0.0023269000000000, -0.0065555000000000 ] - [ -0.0000640100000000, -0.0008572900000000, -0.0065487400000000 ] - [ 0.0039492800000000, 0.0007487300000000, -0.0080495300000000 ] - [ -0.0012004800000000, 0.0007547400000000, -0.0009410400000000 ] - [ -0.0011930600000000, 0.0007259900000000, -0.0009436200000000 ] - [ -0.0015346700000000, 0.0007253700000000, 0.0253879600000000 ] - [ 0.0009819200000000, -0.0000531200000000, 0.0054574700000000 ] - [ 0.0009763100000000, 0.0015228800000000, 0.0054625500000000 ] - [ 0.0001426100000000, 0.0007412700000000, 0.0050702400000000 ] - [ -0.0003444400000000, 0.0005610300000000, 0.0013100300000000 ] - [ -0.0003467700000000, 0.0009139900000000, 0.0013111900000000 ] - [ -0.0063617600000000, 0.0396436500000000, 0.0358916300000000 ] - [ 0.0032238500000000, 0.0022210100000000, -0.0014984500000000 ] - [ -0.0038285900000000, 0.0005625200000000, 0.0022607700000000 ] - [ -0.0010864400000000, -0.0106618900000000, 0.0054286000000000 ] - [ 0.0008864400000000, -0.0019671000000000, -0.0010823900000000 ] - [ -0.0022110000000000, -0.0017542800000000, 0.0014122000000000 ] - [ -0.0063612300000000, -0.0402445500000000, 0.0355993000000000 ] - [ -0.0038301800000000, -0.0016080000000000, 0.0022769200000000 ] - [ 0.0032258100000000, -0.0032672900000000, -0.0014953100000000 ] - [ -0.0010439700000000, 0.0096133400000000, 0.0054544000000000 ] - [ -0.0022235900000000, 0.0007213800000000, 0.0014283400000000 ] - [ 0.0008916000000000, 0.0009226500000000, -0.0010709800000000 ] - [ -0.0197194300000000, -0.0052139000000000, 0.0174882000000000 ] - [ 0.0276094400000000, -0.0196826300000000, 0.0171194500000000 ] - [ -0.0000658600000000, -0.0000362700000000, -0.0001070900000000 ] - [ -0.0018044600000000, 0.0024107300000000, 0.0004634800000000 ] - [ 0.0029508600000000, 0.0018057900000000, 0.0005788200000000 ] - [ -0.0005901800000000, 0.0003740100000000, -0.0000194900000000 ] - [ 0.0274121600000000, 0.0197079800000000, 0.0170005800000000 ] - [ -0.0196441600000000, 0.0052325800000000, 0.0175429000000000 ] - [ -0.0000666200000000, 0.0001267300000000, -0.0001041100000000 ] - [ 0.0029513800000000, -0.0017025600000000, 0.0005751300000000 ] - [ -0.0018052700000000, -0.0023002100000000, 0.0004849000000000 ] - [ -0.0005901200000000, -0.0002819100000000, -0.0000170300000000 ] - [ 0.0012579300000000, 0.0023423000000000, -0.0095949200000000 ] - [ -0.0004223100000000, 0.0000746000000000, -0.0001950900000000 ] - [ 0.0013399200000000, -0.0000899300000000, -0.0027050500000000 ] - [ -0.0000254800000000, -0.0006121000000000, -0.0018295600000000 ] - [ 0.0000696500000000, -0.0003054600000000, -0.0001811300000000 ] - [ 0.0007930500000000, -0.0002018400000000, -0.0014332600000000 ] - [ -0.0229980300000000, 0.0200887700000000, 0.0295981500000000 ] - [ 0.0001108300000000, -0.0002666700000000, 0.0008860300000000 ] - [ -0.0040645500000000, -0.0031502300000000, 0.0087578300000000 ] - [ -0.0012981300000000, 0.0032474300000000, 0.0023941900000000 ] - [ 0.0003591800000000, -0.0003504200000000, 0.0005297200000000 ] - [ 0.0001225300000000, -0.0023719000000000, 0.0029015600000000 ] - [ -0.0066360300000000, -0.0077215400000000, 0.0052873000000000 ] - [ -0.0003834600000000, -0.0001279900000000, 0.0005695200000000 ] - [ 0.0021590600000000, -0.0004166900000000, -0.0006403100000000 ] - [ -0.0052526800000000, 0.0129421300000000, 0.0035578300000000 ] - [ -0.0000562700000000, 0.0006063900000000, 0.0002423200000000 ] - [ 0.0041918900000000, 0.0041628100000000, 0.0006880300000000 ] - [ 0.0065386900000000, 0.0053994900000000, -0.0064512300000000 ] - [ 0.0010949800000000, 0.0007354100000000, -0.0007146600000000 ] - [ -0.0001006900000000, 0.0009483400000000, -0.0008631000000000 ] - [ 0.0018857400000000, -0.0025410500000000, -0.0062918000000000 ] - [ 0.0007286200000000, 0.0005234200000000, -0.0004728700000000 ] - [ -0.0011531200000000, -0.0012678900000000, -0.0015259000000000 ] - [ -0.0033182500000000, -0.0014383700000000, -0.0117677700000000 ] - [ -0.0009959000000000, -0.0005813600000000, -0.0010076600000000 ] - [ 0.0005644600000000, -0.0000203900000000, -0.0020682400000000 ] - [ -0.0009448100000000, 0.0007578100000000, -0.0027603100000000 ] - [ 0.0001125800000000, 0.0001444700000000, -0.0002552700000000 ] - [ -0.0002901400000000, -0.0001423200000000, -0.0011379900000000 ] - [ 0.0051180600000000, 0.0045357500000000, 0.0188523400000000 ] - [ 0.0009100100000000, 0.0000099100000000, 0.0014403700000000 ] - [ -0.0009082900000000, 0.0026344600000000, 0.0038502100000000 ] - [ -0.0000733600000000, -0.0041275600000000, 0.0028255000000000 ] - [ 0.0007608000000000, 0.0000401200000000, 0.0006026000000000 ] - [ 0.0024885000000000, 0.0006758600000000, 0.0026792900000000 ] - [ 0.0212463400000000, 0.0081636100000000, 0.0435183700000000 ] - [ -0.0002303700000000, 0.0000199700000000, 0.0009343000000000 ] - [ 0.0063297400000000, -0.0018661400000000, 0.0010836500000000 ] - [ -0.0004730100000000, 0.0009160100000000, 0.0013978100000000 ] - [ 0.0003967100000000, -0.0002352600000000, 0.0005760800000000 ] - [ 0.0006018500000000, -0.0003343300000000, 0.0001966400000000 ] - [ 0.0015237300000000, -0.0008080500000000, -0.0126905800000000 ] - [ 0.0000759500000000, -0.0009173700000000, -0.0012094900000000 ] - [ -0.0066800700000000, 0.0011262500000000, -0.0043865800000000 ] - [ -0.0000851000000000, -0.0010973700000000, -0.0015805300000000 ] - [ 0.0002935800000000, -0.0007139800000000, -0.0002980500000000 ] - [ -0.0004762100000000, -0.0004616600000000, -0.0001189300000000 ] - [ 0.0017031500000000, 0.0001949900000000, -0.0128007500000000 ] - [ -0.0065063200000000, -0.0017296500000000, -0.0044513800000000 ] - [ 0.0002349300000000, 0.0003003800000000, -0.0012805700000000 ] - [ 0.0000541200000000, 0.0004789900000000, -0.0016581100000000 ] - [ -0.0003246700000000, -0.0001554700000000, -0.0002009900000000 ] - [ 0.0004514700000000, 0.0000939800000000, -0.0003689000000000 ] - [ 0.0192945200000000, -0.0079458500000000, 0.0404802800000000 ] - [ 0.0064969400000000, 0.0012666100000000, 0.0009910300000000 ] - [ -0.0000733400000000, -0.0006357300000000, 0.0008569200000000 ] - [ -0.0003371800000000, -0.0015281200000000, 0.0013109300000000 ] - [ 0.0007546700000000, -0.0002842100000000, 0.0001083700000000 ] - [ 0.0005521800000000, -0.0003837200000000, 0.0004989800000000 ] - [ 0.0049154300000000, -0.0045528100000000, 0.0188837400000000 ] - [ -0.0010193300000000, -0.0027658200000000, 0.0037970800000000 ] - [ 0.0007876900000000, -0.0001362800000000, 0.0013801700000000 ] - [ -0.0001731200000000, 0.0039518700000000, 0.0027763600000000 ] - [ 0.0024076900000000, -0.0008216900000000, 0.0026391200000000 ] - [ 0.0006371000000000, -0.0001690500000000, 0.0005414200000000 ] - [ -0.0034176400000000, 0.0012765500000000, -0.0118072600000000 ] - [ 0.0004403800000000, -0.0001066000000000, -0.0021343700000000 ] - [ -0.0011186600000000, 0.0004533500000000, -0.0010718100000000 ] - [ -0.0010636400000000, -0.0008969900000000, -0.0028195900000000 ] - [ -0.0004062400000000, 0.0000134900000000, -0.0012053100000000 ] - [ -0.0000090000000000, -0.0002748700000000, -0.0003190700000000 ] - [ -0.0235521600000000, -0.0212978200000000, 0.0293425300000000 ] - [ -0.0037439200000000, 0.0028018400000000, 0.0082981700000000 ] - [ 0.0004048100000000, -0.0001005500000000, 0.0003984600000000 ] - [ -0.0009802600000000, -0.0036323500000000, 0.0019136600000000 ] - [ 0.0004356700000000, 0.0020095000000000, 0.0024196500000000 ] - [ 0.0006538200000000, -0.0000182200000000, 0.0000423900000000 ] - [ 0.0016014600000000, -0.0027054000000000, -0.0100869100000000 ] - [ 0.0016471900000000, -0.0002677400000000, -0.0031923800000000 ] - [ -0.0001240100000000, -0.0004405600000000, -0.0006852400000000 ] - [ 0.0002937900000000, 0.0002267300000000, -0.0023222100000000 ] - [ 0.0011010500000000, -0.0001665900000000, -0.0019200200000000 ] - [ 0.0003673000000000, -0.0000617800000000, -0.0006711600000000 ] - [ 0.0063063500000000, -0.0047007800000000, -0.0065569800000000 ] - [ -0.0003843500000000, -0.0002187300000000, -0.0009395600000000 ] - [ 0.0008321400000000, -0.0000123000000000, -0.0007837800000000 ] - [ 0.0016332500000000, 0.0032691800000000, -0.0063466800000000 ] - [ -0.0014389300000000, 0.0020051200000000, -0.0016078600000000 ] - [ 0.0004652100000000, 0.0002009600000000, -0.0005422300000000 ] - [ -0.0068786600000000, 0.0084320600000000, 0.0051845300000000 ] - [ 0.0018824300000000, 0.0011481400000000, -0.0007340200000000 ] - [ -0.0006449100000000, 0.0008511500000000, 0.0004963700000000 ] - [ -0.0054691000000000, -0.0121220400000000, 0.0034516600000000 ] - [ 0.0039444400000000, -0.0034510900000000, 0.0005875100000000 ] - [ -0.0003188800000000, 0.0001169500000000, 0.0001690700000000 ]- atom: 25 displacement: [ 0.0099999975103145, 0.0000000000000000, -0.0000070564653367 ] forces: - [ 0.0162607900000000, -0.0128830700000000, 0.0238014700000000 ] - [ 0.0148761400000000, 0.0005089900000000, -0.0316715000000000 ] - [ 0.0080504300000000, -0.0002019000000000, 0.0002807100000000 ] - [ -0.0012562900000000, 0.0018276100000000, 0.0015704000000000 ] - [ -0.0020345900000000, -0.0018606500000000, -0.0034393000000000 ] - [ 0.0052189000000000, 0.0001764700000000, 0.0005031300000000 ] - [ 0.0148899600000000, -0.0001899200000000, -0.0315503600000000 ] - [ 0.0162593500000000, 0.0131358700000000, 0.0239506800000000 ] - [ 0.0080515400000000, 0.0004540700000000, 0.0002904200000000 ] - [ -0.0020249700000000, 0.0021176600000000, -0.0034285900000000 ] - [ -0.0012638000000000, -0.0015741200000000, 0.0015711200000000 ] - [ 0.0052192700000000, 0.0000709800000000, 0.0005047000000000 ] - [ -0.0379571100000000, 0.0098844400000000, -0.0066085900000000 ] - [ 0.0066759500000000, -0.0020662800000000, -0.0037917400000000 ] - [ 0.0061897300000000, 0.0042091200000000, 0.0032581700000000 ] - [ -0.0168528100000000, 0.0011089700000000, -0.0011829000000000 ] - [ 0.0060671700000000, 0.0041393400000000, -0.0021804100000000 ] - [ 0.0050525100000000, -0.0017307500000000, 0.0009180200000000 ] - [ -0.0379290800000000, -0.0083031800000000, -0.0067031900000000 ] - [ 0.0061868100000000, -0.0027402300000000, 0.0032787000000000 ] - [ 0.0066823400000000, 0.0035318400000000, -0.0037792300000000 ] - [ -0.0168719300000000, 0.0003483700000000, -0.0011875700000000 ] - [ 0.0050437400000000, 0.0032142900000000, 0.0009298500000000 ] - [ 0.0060776600000000, -0.0026572700000000, -0.0021739400000000 ] - [ -0.2197567600000000, -0.0016225600000000, 0.0006716900000000 ] - [ 0.0144133100000000, -0.0016119000000000, -0.0004940800000000 ] - [ 0.0143628000000000, 0.0005638400000000, -0.0004883400000000 ] - [ -0.0120227200000000, -0.0005197200000000, 0.0043725100000000 ] - [ 0.0036858500000000, 0.0001246100000000, -0.0002405700000000 ] - [ 0.0036954800000000, -0.0011634500000000, -0.0002418900000000 ] - [ -0.0134920200000000, -0.0005225100000000, -0.0004636500000000 ] - [ 0.0058897300000000, -0.0016649200000000, 0.0006210400000000 ] - [ 0.0059036200000000, 0.0006245300000000, 0.0006167200000000 ] - [ -0.0054877500000000, -0.0005174100000000, 0.0004275100000000 ] - [ 0.0024921500000000, 0.0001977800000000, -0.0004881000000000 ] - [ 0.0025062100000000, -0.0012389300000000, -0.0004940000000000 ] - [ 0.0110660900000000, 0.0207043400000000, 0.0050749400000000 ] - [ 0.0110739500000000, -0.0207256600000000, 0.0050842800000000 ] - [ 0.0058969400000000, 0.0000370000000000, 0.0004837500000000 ] - [ 0.0119624300000000, -0.0243324400000000, 0.0059933700000000 ] - [ 0.0119723300000000, 0.0245614700000000, 0.0059926200000000 ] - [ 0.0057779800000000, 0.0000499600000000, 0.0004846800000000 ] - [ -0.0016978800000000, 0.0011074700000000, -0.0001254500000000 ] - [ -0.0017299600000000, -0.0010080700000000, -0.0001150000000000 ] - [ 0.0045481300000000, 0.0000430700000000, -0.0000713100000000 ] - [ -0.0015522500000000, -0.0033517600000000, -0.0002929000000000 ] - [ -0.0015771800000000, 0.0034504600000000, -0.0002857000000000 ] - [ 0.0044965300000000, 0.0000474300000000, -0.0000890600000000 ] - [ 0.0049227900000000, 0.0026251300000000, -0.0042991300000000 ] - [ -0.0032779100000000, 0.0014877700000000, 0.0007920600000000 ] - [ -0.0026091800000000, -0.0027134400000000, 0.0028718600000000 ] - [ 0.0076231600000000, -0.0107611700000000, -0.0084506800000000 ] - [ -0.0034016300000000, 0.0004872700000000, 0.0004799200000000 ] - [ -0.0072341000000000, 0.0047709800000000, 0.0048191000000000 ] - [ 0.0036838400000000, -0.0007539100000000, 0.0000238300000000 ] - [ -0.0031234700000000, 0.0013342500000000, 0.0013138200000000 ] - [ 0.0003710700000000, -0.0013085800000000, -0.0004225400000000 ] - [ 0.0031611400000000, -0.0050695900000000, 0.0040123400000000 ] - [ -0.0030751300000000, 0.0008903200000000, 0.0009494600000000 ] - [ -0.0024816000000000, 0.0038746200000000, -0.0014889400000000 ] - [ 0.0387293100000000, 0.0309032500000000, -0.0201518000000000 ] - [ -0.0044717400000000, -0.0012671300000000, 0.0017372000000000 ] - [ -0.0072610400000000, 0.0008005500000000, -0.0013724200000000 ] - [ 0.0032070900000000, 0.0061595300000000, -0.0002166100000000 ] - [ -0.0022197300000000, 0.0000159600000000, 0.0008829400000000 ] - [ -0.0002602800000000, -0.0008485100000000, -0.0005781200000000 ] - [ 0.0050426100000000, 0.0005672700000000, -0.0052467700000000 ] - [ -0.0029043300000000, -0.0005470200000000, 0.0010800800000000 ] - [ -0.0036080000000000, 0.0014230700000000, 0.0049608500000000 ] - [ 0.0019921500000000, 0.0012455700000000, -0.0010928300000000 ] - [ -0.0017505400000000, 0.0000204800000000, 0.0008555400000000 ] - [ 0.0001358400000000, 0.0001631000000000, 0.0006820900000000 ] - [ 0.0316597400000000, -0.0055625600000000, 0.0222189700000000 ] - [ -0.0046199500000000, -0.0010138800000000, -0.0025490000000000 ] - [ -0.0073334200000000, -0.0033317400000000, 0.0009762000000000 ] - [ 0.0033583600000000, 0.0004802300000000, 0.0007069800000000 ] - [ -0.0023413000000000, -0.0012289500000000, -0.0008168900000000 ] - [ -0.0005838400000000, 0.0002652000000000, -0.0000059900000000 ] - [ 0.0100193700000000, 0.0029232400000000, 0.0062427800000000 ] - [ -0.0034185500000000, -0.0011010200000000, -0.0006077900000000 ] - [ -0.0043817800000000, -0.0028031600000000, -0.0034825900000000 ] - [ 0.0030912000000000, 0.0013191600000000, 0.0012786300000000 ] - [ -0.0022563100000000, -0.0016478500000000, -0.0001030500000000 ] - [ -0.0005595600000000, 0.0001478800000000, -0.0005486700000000 ] - [ 0.0227000600000000, -0.0016578700000000, 0.0053782200000000 ] - [ -0.0039632400000000, 0.0015759200000000, -0.0001049600000000 ] - [ -0.0061949200000000, -0.0024108000000000, -0.0026974100000000 ] - [ 0.0057083100000000, -0.0073438700000000, 0.0018888600000000 ] - [ -0.0022596600000000, -0.0003450700000000, -0.0006343900000000 ] - [ -0.0018979000000000, 0.0018813100000000, -0.0006601100000000 ] - [ 0.0045062500000000, 0.0016141700000000, 0.0008940100000000 ] - [ -0.0030721200000000, 0.0006364800000000, -0.0011170600000000 ] - [ -0.0000865000000000, -0.0011161700000000, 0.0006724200000000 ] - [ 0.0029094900000000, -0.0019329900000000, 0.0008398200000000 ] - [ -0.0019285000000000, -0.0003139600000000, -0.0006440300000000 ] - [ -0.0009854600000000, 0.0011564600000000, 0.0002114000000000 ] - [ 0.0223864600000000, 0.0004664100000000, 0.0056705500000000 ] - [ -0.0060528400000000, 0.0018170000000000, -0.0027950700000000 ] - [ -0.0038037000000000, -0.0021868400000000, -0.0001848400000000 ] - [ 0.0058468000000000, 0.0067411000000000, 0.0018046400000000 ] - [ -0.0017450500000000, -0.0025023300000000, -0.0007472800000000 ] - [ -0.0021054900000000, -0.0002732600000000, -0.0007110900000000 ] - [ 0.0046311000000000, -0.0022385600000000, 0.0007897800000000 ] - [ 0.0000757300000000, 0.0005056700000000, 0.0005912200000000 ] - [ -0.0029156500000000, -0.0012543300000000, -0.0011889300000000 ] - [ 0.0030454400000000, 0.0013222000000000, 0.0007590700000000 ] - [ -0.0008251600000000, -0.0017676100000000, 0.0001289600000000 ] - [ -0.0017741800000000, -0.0003037300000000, -0.0007190500000000 ] - [ 0.0310257500000000, 0.0052295200000000, 0.0208496600000000 ] - [ -0.0074425600000000, 0.0032025000000000, 0.0009436900000000 ] - [ -0.0047382000000000, 0.0008892600000000, -0.0026039300000000 ] - [ 0.0032366900000000, -0.0006177000000000, 0.0006491800000000 ] - [ -0.0006876400000000, -0.0003955000000000, -0.0000630600000000 ] - [ -0.0024645900000000, 0.0011038200000000, -0.0008775300000000 ] - [ 0.0098799700000000, -0.0030508400000000, 0.0061768000000000 ] - [ -0.0044865100000000, 0.0026709300000000, -0.0035492300000000 ] - [ -0.0035429100000000, 0.0009764800000000, -0.0006726800000000 ] - [ 0.0029707000000000, -0.0014567900000000, 0.0012205500000000 ] - [ -0.0006655000000000, -0.0002771000000000, -0.0006098800000000 ] - [ -0.0023819600000000, 0.0015220400000000, -0.0001662100000000 ] - [ 0.0052195100000000, -0.0030145000000000, -0.0047807400000000 ] - [ -0.0022830500000000, 0.0023551700000000, 0.0023871000000000 ] - [ -0.0029818400000000, -0.0018538800000000, 0.0003053000000000 ] - [ 0.0079189600000000, 0.0103423900000000, -0.0089116100000000 ] - [ -0.0069081600000000, -0.0051450300000000, 0.0043413500000000 ] - [ -0.0031057100000000, -0.0008608800000000, -0.0000044300000000 ] - [ 0.0039789700000000, 0.0003571100000000, -0.0004520100000000 ] - [ 0.0006948300000000, 0.0009481700000000, -0.0009128700000000 ] - [ -0.0028278500000000, -0.0017021000000000, 0.0008243700000000 ] - [ 0.0034658600000000, 0.0046919200000000, 0.0035396200000000 ] - [ -0.0021580600000000, -0.0042289600000000, -0.0019787000000000 ] - [ -0.0027817900000000, -0.0012612400000000, 0.0004603900000000 ] - [ 0.0370324300000000, -0.0283889600000000, -0.0188762100000000 ] - [ -0.0075549300000000, -0.0001038500000000, -0.0014851200000000 ] - [ -0.0047279700000000, 0.0019838500000000, 0.0016613100000000 ] - [ 0.0029484800000000, -0.0054398200000000, -0.0003006700000000 ] - [ -0.0005303700000000, 0.0015794800000000, -0.0006648000000000 ] - [ -0.0024822300000000, 0.0007061600000000, 0.0008110100000000 ] - [ 0.0047797800000000, 0.0001637500000000, -0.0053309400000000 ] - [ -0.0038793400000000, -0.0007014800000000, 0.0048827900000000 ] - [ -0.0031683600000000, 0.0012678200000000, 0.0010108900000000 ] - [ 0.0017325300000000, -0.0005237700000000, -0.0011732100000000 ] - [ -0.0001321700000000, 0.0005616400000000, 0.0005960300000000 ] - [ -0.0020150500000000, 0.0007015100000000, 0.0007851700000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009268800000000, -0.0149861300000000, -0.0052269900000000 ] - [ 0.0134682100000000, -0.0156506700000000, -0.0209853900000000 ] - [ 0.0002604600000000, -0.0014055400000000, 0.0000394600000000 ] - [ 0.0026417700000000, 0.0080424000000000, 0.0021061200000000 ] - [ -0.0014636600000000, 0.0081767600000000, 0.0024978400000000 ] - [ 0.0001425200000000, 0.0015982700000000, 0.0002594700000000 ] - [ -0.0134682100000000, -0.0156506700000000, 0.0209853900000000 ] - [ 0.0009268800000000, -0.0149861300000000, 0.0052269900000000 ] - [ -0.0002604600000000, -0.0014055400000000, -0.0000394600000000 ] - [ 0.0014636600000000, 0.0081767600000000, -0.0024978400000000 ] - [ -0.0026417700000000, 0.0080424000000000, -0.0021061200000000 ] - [ -0.0001425200000000, 0.0015982700000000, -0.0002594700000000 ] - [ 0.0098203800000000, 0.0071721500000000, 0.0398299400000000 ] - [ -0.0030921700000000, -0.0026958800000000, 0.0010601200000000 ] - [ 0.0031095900000000, -0.0001948400000000, 0.0027602200000000 ] - [ 0.0014287400000000, 0.0142111300000000, -0.0101579800000000 ] - [ 0.0033630400000000, 0.0045080900000000, -0.0012124000000000 ] - [ -0.0016099600000000, 0.0023500400000000, -0.0014594900000000 ] - [ -0.0098203800000000, 0.0071721500000000, -0.0398299400000000 ] - [ -0.0031095900000000, -0.0001948400000000, -0.0027602200000000 ] - [ 0.0030921700000000, -0.0026958800000000, -0.0010601200000000 ] - [ -0.0014287400000000, 0.0142111300000000, 0.0101579800000000 ] - [ 0.0016099600000000, 0.0023500400000000, 0.0014594900000000 ] - [ -0.0033630400000000, 0.0045080900000000, 0.0012124000000000 ] - [ 0.0000000000000000, -0.2020246800000000, 0.0000000000000000 ] - [ 0.0010758100000000, -0.0073819200000000, 0.0014702400000000 ] - [ -0.0010758100000000, -0.0073819200000000, -0.0014702400000000 ] - [ 0.0000000000000000, 0.0161376800000000, 0.0000000000000000 ] - [ -0.0006392000000000, 0.0036207200000000, -0.0002417700000000 ] - [ 0.0006392000000000, 0.0036207200000000, 0.0002417700000000 ] - [ 0.0000000000000000, -0.0077551400000000, 0.0000000000000000 ] - [ 0.0011325400000000, -0.0041026600000000, -0.0009466300000000 ] - [ -0.0011325400000000, -0.0041026600000000, 0.0009466300000000 ] - [ 0.0000000000000000, 0.0060412400000000, 0.0000000000000000 ] - [ -0.0007182200000000, 0.0021006900000000, -0.0005162600000000 ] - [ 0.0007182200000000, 0.0021006900000000, 0.0005162600000000 ] - [ 0.0225668700000000, 0.0199631900000000, 0.0062102100000000 ] - [ -0.0225668700000000, 0.0199631900000000, -0.0062102100000000 ] - [ 0.0000000000000000, 0.0001382900000000, 0.0000000000000000 ] - [ -0.0207349800000000, 0.0195630300000000, -0.0048202400000000 ] - [ 0.0207349800000000, 0.0195630300000000, 0.0048202400000000 ] - [ 0.0000000000000000, -0.0000954300000000, 0.0000000000000000 ] - [ 0.0030180800000000, 0.0006721200000000, -0.0007300300000000 ] - [ -0.0030180800000000, 0.0006721200000000, 0.0007300300000000 ] - [ 0.0000000000000000, 0.0002814000000000, 0.0000000000000000 ] - [ -0.0015063100000000, 0.0004761600000000, 0.0020247000000000 ] - [ 0.0015063100000000, 0.0004761600000000, -0.0020247000000000 ] - [ 0.0000000000000000, 0.0000931200000000, 0.0000000000000000 ] - [ 0.0042833200000000, -0.0071770900000000, 0.0053951800000000 ] - [ 0.0005825200000000, -0.0006870800000000, 0.0002061200000000 ] - [ -0.0050527800000000, -0.0020781500000000, 0.0037673300000000 ] - [ -0.0051933400000000, -0.0064908400000000, -0.0112089400000000 ] - [ -0.0005737900000000, -0.0000150400000000, 0.0001450800000000 ] - [ 0.0070719000000000, -0.0038037200000000, -0.0036975200000000 ] - [ 0.0028846400000000, -0.0036746000000000, -0.0033033800000000 ] - [ 0.0002589000000000, -0.0005381000000000, 0.0000861700000000 ] - [ -0.0012968500000000, -0.0004078200000000, -0.0002543500000000 ] - [ -0.0017172900000000, -0.0012362900000000, 0.0056892500000000 ] - [ -0.0009313400000000, 0.0002688400000000, 0.0005303100000000 ] - [ 0.0006211500000000, 0.0009057100000000, 0.0004833200000000 ] - [ 0.0214600200000000, 0.0382545500000000, -0.0142230300000000 ] - [ 0.0000319400000000, 0.0011704200000000, -0.0001125300000000 ] - [ 0.0050648300000000, 0.0051237400000000, 0.0039280600000000 ] - [ -0.0008805200000000, -0.0091270300000000, -0.0011866700000000 ] - [ 0.0002330300000000, -0.0003689600000000, 0.0000906000000000 ] - [ -0.0020701500000000, -0.0023067500000000, 0.0000263800000000 ] - [ 0.0010488300000000, 0.0038450700000000, -0.0001647800000000 ] - [ 0.0001113500000000, 0.0008735800000000, 0.0001079000000000 ] - [ 0.0038491200000000, 0.0003283900000000, -0.0045422800000000 ] - [ -0.0004550900000000, -0.0022526600000000, 0.0007475300000000 ] - [ 0.0001390400000000, -0.0001324500000000, 0.0001218600000000 ] - [ -0.0013877900000000, -0.0011101200000000, 0.0010931800000000 ] - [ -0.0076875400000000, 0.0249977900000000, -0.0192550900000000 ] - [ 0.0009939000000000, 0.0015808800000000, -0.0000097300000000 ] - [ 0.0018823600000000, 0.0058940300000000, 0.0015245400000000 ] - [ -0.0018012900000000, -0.0055994200000000, 0.0000158100000000 ] - [ -0.0003444900000000, -0.0010397800000000, 0.0000153900000000 ] - [ -0.0008948500000000, -0.0028039300000000, -0.0002652400000000 ] - [ 0.0044863800000000, 0.0088077200000000, -0.0019317300000000 ] - [ 0.0004631000000000, 0.0011319200000000, -0.0002057600000000 ] - [ 0.0004881700000000, 0.0016092200000000, -0.0003288700000000 ] - [ -0.0018609500000000, -0.0044885200000000, 0.0007102400000000 ] - [ -0.0006282400000000, -0.0016008400000000, 0.0004545200000000 ] - [ -0.0012794700000000, -0.0018965700000000, -0.0005290400000000 ] - [ -0.0111571200000000, 0.0229197500000000, 0.0034445500000000 ] - [ 0.0000327500000000, 0.0007033500000000, 0.0001333500000000 ] - [ -0.0066237700000000, 0.0023514200000000, -0.0027539200000000 ] - [ 0.0013472800000000, -0.0094213500000000, 0.0006240600000000 ] - [ -0.0003590000000000, -0.0012244000000000, -0.0004326400000000 ] - [ 0.0023832500000000, -0.0026466900000000, 0.0007317000000000 ] - [ 0.0025524800000000, 0.0026185100000000, 0.0047402100000000 ] - [ 0.0001513200000000, 0.0006164300000000, 0.0008079000000000 ] - [ -0.0014260100000000, 0.0011827300000000, 0.0000373700000000 ] - [ -0.0003631800000000, -0.0025614800000000, -0.0015810900000000 ] - [ -0.0000068900000000, -0.0009907100000000, -0.0001869300000000 ] - [ 0.0010267700000000, -0.0019490200000000, -0.0003046000000000 ] - [ 0.0111571200000000, 0.0229197500000000, -0.0034445500000000 ] - [ 0.0066237700000000, 0.0023514200000000, 0.0027539200000000 ] - [ -0.0000327500000000, 0.0007033500000000, -0.0001333500000000 ] - [ -0.0013472800000000, -0.0094213500000000, -0.0006240600000000 ] - [ -0.0023832500000000, -0.0026466900000000, -0.0007317000000000 ] - [ 0.0003590000000000, -0.0012244000000000, 0.0004326400000000 ] - [ -0.0025524800000000, 0.0026185100000000, -0.0047402100000000 ] - [ 0.0014260100000000, 0.0011827300000000, -0.0000373700000000 ] - [ -0.0001513200000000, 0.0006164300000000, -0.0008079000000000 ] - [ 0.0003631800000000, -0.0025614800000000, 0.0015810900000000 ] - [ -0.0010267700000000, -0.0019490200000000, 0.0003046000000000 ] - [ 0.0000068900000000, -0.0009907100000000, 0.0001869300000000 ] - [ 0.0076875400000000, 0.0249977900000000, 0.0192550900000000 ] - [ -0.0018823600000000, 0.0058940300000000, -0.0015245400000000 ] - [ -0.0009939000000000, 0.0015808800000000, 0.0000097300000000 ] - [ 0.0018012900000000, -0.0055994200000000, -0.0000158100000000 ] - [ 0.0008948500000000, -0.0028039300000000, 0.0002652400000000 ] - [ 0.0003444900000000, -0.0010397800000000, -0.0000153900000000 ] - [ -0.0044863800000000, 0.0088077200000000, 0.0019317300000000 ] - [ -0.0004881700000000, 0.0016092200000000, 0.0003288700000000 ] - [ -0.0004631000000000, 0.0011319200000000, 0.0002057600000000 ] - [ 0.0018609500000000, -0.0044885200000000, -0.0007102400000000 ] - [ 0.0012794700000000, -0.0018965700000000, 0.0005290400000000 ] - [ 0.0006282400000000, -0.0016008400000000, -0.0004545200000000 ] - [ -0.0042833200000000, -0.0071770900000000, -0.0053951800000000 ] - [ 0.0050527800000000, -0.0020781500000000, -0.0037673300000000 ] - [ -0.0005825200000000, -0.0006870800000000, -0.0002061200000000 ] - [ 0.0051933400000000, -0.0064908400000000, 0.0112089400000000 ] - [ -0.0070719000000000, -0.0038037200000000, 0.0036975200000000 ] - [ 0.0005737900000000, -0.0000150400000000, -0.0001450800000000 ] - [ -0.0028846400000000, -0.0036746000000000, 0.0033033800000000 ] - [ 0.0012968500000000, -0.0004078200000000, 0.0002543500000000 ] - [ -0.0002589000000000, -0.0005381000000000, -0.0000861700000000 ] - [ 0.0017172900000000, -0.0012362900000000, -0.0056892500000000 ] - [ -0.0006211500000000, 0.0009057100000000, -0.0004833200000000 ] - [ 0.0009313400000000, 0.0002688400000000, -0.0005303100000000 ] - [ -0.0214600200000000, 0.0382545500000000, 0.0142230300000000 ] - [ -0.0050648300000000, 0.0051237400000000, -0.0039280600000000 ] - [ -0.0000319400000000, 0.0011704200000000, 0.0001125300000000 ] - [ 0.0008805200000000, -0.0091270300000000, 0.0011866700000000 ] - [ 0.0020701500000000, -0.0023067500000000, -0.0000263800000000 ] - [ -0.0002330300000000, -0.0003689600000000, -0.0000906000000000 ] - [ -0.0010488300000000, 0.0038450700000000, 0.0001647800000000 ] - [ -0.0038491200000000, 0.0003283900000000, 0.0045422800000000 ] - [ -0.0001113500000000, 0.0008735800000000, -0.0001079000000000 ] - [ 0.0004550900000000, -0.0022526600000000, -0.0007475300000000 ] - [ 0.0013877900000000, -0.0011101200000000, -0.0010931800000000 ] - [ -0.0001390400000000, -0.0001324500000000, -0.0001218600000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0009743300000000, 0.0151130000000000, 0.0052902000000000 ] - [ -0.0135459700000000, 0.0159337500000000, 0.0210919600000000 ] - [ -0.0002622000000000, 0.0016634800000000, -0.0000411600000000 ] - [ -0.0026800900000000, -0.0078067400000000, -0.0021271600000000 ] - [ 0.0014970300000000, -0.0079334600000000, -0.0025298000000000 ] - [ -0.0001438300000000, -0.0013439300000000, -0.0002619200000000 ] - [ 0.0135459700000000, 0.0159337500000000, -0.0210919600000000 ] - [ -0.0009743300000000, 0.0151130000000000, -0.0052902000000000 ] - [ 0.0002622000000000, 0.0016634800000000, 0.0000411600000000 ] - [ -0.0014970300000000, -0.0079334600000000, 0.0025298000000000 ] - [ 0.0026800900000000, -0.0078067400000000, 0.0021271600000000 ] - [ 0.0001438300000000, -0.0013439300000000, 0.0002619200000000 ] - [ -0.0099225900000000, -0.0056319000000000, -0.0402011000000000 ] - [ 0.0030975400000000, 0.0041918800000000, -0.0010642300000000 ] - [ -0.0031152900000000, 0.0016832100000000, -0.0027752400000000 ] - [ -0.0013590300000000, -0.0127269500000000, 0.0100970000000000 ] - [ -0.0033800700000000, -0.0030646000000000, 0.0012158700000000 ] - [ 0.0016122600000000, -0.0008994100000000, 0.0014528600000000 ] - [ 0.0099225900000000, -0.0056319000000000, 0.0402011000000000 ] - [ 0.0031152900000000, 0.0016832100000000, 0.0027752400000000 ] - [ -0.0030975400000000, 0.0041918800000000, 0.0010642300000000 ] - [ 0.0013590300000000, -0.0127269500000000, -0.0100970000000000 ] - [ -0.0016122600000000, -0.0008994100000000, -0.0014528600000000 ] - [ 0.0033800700000000, -0.0030646000000000, -0.0012158700000000 ] - [ 0.0000000000000000, 0.2005692500000000, 0.0000000000000000 ] - [ -0.0011001000000000, 0.0063680100000000, -0.0014759700000000 ] - [ 0.0011001000000000, 0.0063680100000000, 0.0014759700000000 ] - [ 0.0000000000000000, -0.0172370000000000, 0.0000000000000000 ] - [ 0.0006495800000000, -0.0046736300000000, 0.0002415900000000 ] - [ -0.0006495800000000, -0.0046736300000000, -0.0002415900000000 ] - [ 0.0000000000000000, 0.0067467100000000, 0.0000000000000000 ] - [ -0.0011539500000000, 0.0030774500000000, 0.0009510500000000 ] - [ 0.0011539500000000, 0.0030774500000000, -0.0009510500000000 ] - [ 0.0000000000000000, -0.0070916000000000, 0.0000000000000000 ] - [ 0.0007207300000000, -0.0031531700000000, 0.0005248700000000 ] - [ -0.0007207300000000, -0.0031531700000000, -0.0005248700000000 ] - [ -0.0228005300000000, -0.0200170200000000, -0.0062708600000000 ] - [ 0.0228005300000000, -0.0200170200000000, 0.0062708600000000 ] - [ 0.0000000000000000, -0.0000458200000000, 0.0000000000000000 ] - [ 0.0206265500000000, -0.0194705900000000, 0.0049019800000000 ] - [ -0.0206265500000000, -0.0194705900000000, -0.0049019800000000 ] - [ 0.0000000000000000, 0.0001799100000000, 0.0000000000000000 ] - [ -0.0030169700000000, -0.0005629500000000, 0.0007210000000000 ] - [ 0.0030169700000000, -0.0005629500000000, -0.0007210000000000 ] - [ 0.0000000000000000, -0.0001861800000000, 0.0000000000000000 ] - [ 0.0015112400000000, -0.0004071600000000, -0.0020378100000000 ] - [ -0.0015112400000000, -0.0004071600000000, 0.0020378100000000 ] - [ 0.0000000000000000, -0.0000091000000000, 0.0000000000000000 ] - [ -0.0046192700000000, 0.0068080200000000, -0.0049557800000000 ] - [ -0.0008804600000000, 0.0003183000000000, 0.0002822500000000 ] - [ 0.0047502200000000, 0.0017068000000000, -0.0032892100000000 ] - [ 0.0047843200000000, 0.0060339800000000, 0.0115964400000000 ] - [ 0.0002780900000000, -0.0003487600000000, 0.0003438200000000 ] - [ -0.0074375700000000, 0.0034781500000000, 0.0042042400000000 ] - [ -0.0031928300000000, 0.0032864100000000, 0.0037998400000000 ] - [ -0.0005543800000000, 0.0001682300000000, 0.0004017200000000 ] - [ 0.0009906800000000, 0.0000377400000000, 0.0007445600000000 ] - [ 0.0013839100000000, 0.0008871300000000, -0.0052091000000000 ] - [ 0.0006376500000000, -0.0006343100000000, -0.0000425400000000 ] - [ -0.0009460100000000, -0.0012268800000000, -0.0000041600000000 ] - [ -0.0194249100000000, -0.0362070600000000, 0.0130796600000000 ] - [ 0.0002329600000000, -0.0004478700000000, 0.0001844800000000 ] - [ -0.0048063000000000, -0.0043827300000000, -0.0038384400000000 ] - [ 0.0011218900000000, 0.0099031900000000, 0.0012861200000000 ] - [ 0.0000254700000000, 0.0010907900000000, -0.0000177300000000 ] - [ 0.0023622200000000, 0.0030463100000000, 0.0000568800000000 ] - [ -0.0008014400000000, -0.0031026300000000, 0.0002709900000000 ] - [ 0.0001534200000000, -0.0001495100000000, -0.0000376900000000 ] - [ -0.0035981700000000, 0.0004075800000000, 0.0046520500000000 ] - [ 0.0007105300000000, 0.0029826200000000, -0.0006687300000000 ] - [ 0.0001225600000000, 0.0008554500000000, -0.0000505300000000 ] - [ 0.0016720400000000, 0.0018413800000000, -0.0010159600000000 ] - [ 0.0077626300000000, -0.0247505100000000, 0.0193259000000000 ] - [ -0.0008752200000000, -0.0017174700000000, 0.0000720000000000 ] - [ -0.0017926500000000, -0.0060584300000000, -0.0014718300000000 ] - [ 0.0019169900000000, 0.0054602300000000, 0.0000344100000000 ] - [ 0.0004632700000000, 0.0009146200000000, 0.0000428500000000 ] - [ 0.0010159300000000, 0.0026871400000000, 0.0003259300000000 ] - [ -0.0043685700000000, -0.0089899300000000, 0.0019895100000000 ] - [ -0.0003403100000000, -0.0012660600000000, 0.0002701100000000 ] - [ -0.0003879400000000, -0.0017559200000000, 0.0003862800000000 ] - [ 0.0019753200000000, 0.0043486400000000, -0.0006462900000000 ] - [ 0.0007525400000000, 0.0014799600000000, -0.0003959900000000 ] - [ 0.0014027200000000, 0.0017774500000000, 0.0005983000000000 ] - [ 0.0120809200000000, -0.0248294500000000, -0.0042117400000000 ] - [ -0.0001886400000000, -0.0013276800000000, -0.0000591300000000 ] - [ 0.0064923300000000, -0.0029849400000000, 0.0028547000000000 ] - [ -0.0015113600000000, 0.0088433500000000, -0.0005340900000000 ] - [ 0.0002008000000000, 0.0006141000000000, 0.0005110600000000 ] - [ -0.0025250900000000, 0.0020371100000000, -0.0006460700000000 ] - [ -0.0026989300000000, -0.0032658700000000, -0.0046848400000000 ] - [ -0.0003075200000000, -0.0012422700000000, -0.0007376500000000 ] - [ 0.0012762700000000, -0.0018093900000000, 0.0000486800000000 ] - [ 0.0002166400000000, 0.0019573400000000, 0.0016479800000000 ] - [ -0.0001524800000000, 0.0003781300000000, 0.0002609300000000 ] - [ -0.0011820800000000, 0.0013451800000000, 0.0003911600000000 ] - [ -0.0120809200000000, -0.0248294500000000, 0.0042117400000000 ] - [ -0.0064923300000000, -0.0029849400000000, -0.0028547000000000 ] - [ 0.0001886400000000, -0.0013276800000000, 0.0000591300000000 ] - [ 0.0015113600000000, 0.0088433500000000, 0.0005340900000000 ] - [ 0.0025250900000000, 0.0020371100000000, 0.0006460700000000 ] - [ -0.0002008000000000, 0.0006141000000000, -0.0005110600000000 ] - [ 0.0026989300000000, -0.0032658700000000, 0.0046848400000000 ] - [ -0.0012762700000000, -0.0018093900000000, -0.0000486800000000 ] - [ 0.0003075200000000, -0.0012422700000000, 0.0007376500000000 ] - [ -0.0002166400000000, 0.0019573400000000, -0.0016479800000000 ] - [ 0.0011820800000000, 0.0013451800000000, -0.0003911600000000 ] - [ 0.0001524800000000, 0.0003781300000000, -0.0002609300000000 ] - [ -0.0077626300000000, -0.0247505100000000, -0.0193259000000000 ] - [ 0.0017926500000000, -0.0060584300000000, 0.0014718300000000 ] - [ 0.0008752200000000, -0.0017174700000000, -0.0000720000000000 ] - [ -0.0019169900000000, 0.0054602300000000, -0.0000344100000000 ] - [ -0.0010159300000000, 0.0026871400000000, -0.0003259300000000 ] - [ -0.0004632700000000, 0.0009146200000000, -0.0000428500000000 ] - [ 0.0043685700000000, -0.0089899300000000, -0.0019895100000000 ] - [ 0.0003879400000000, -0.0017559200000000, -0.0003862800000000 ] - [ 0.0003403100000000, -0.0012660600000000, -0.0002701100000000 ] - [ -0.0019753200000000, 0.0043486400000000, 0.0006462900000000 ] - [ -0.0014027200000000, 0.0017774500000000, -0.0005983000000000 ] - [ -0.0007525400000000, 0.0014799600000000, 0.0003959900000000 ] - [ 0.0046192700000000, 0.0068080200000000, 0.0049557800000000 ] - [ -0.0047502200000000, 0.0017068000000000, 0.0032892100000000 ] - [ 0.0008804600000000, 0.0003183000000000, -0.0002822500000000 ] - [ -0.0047843200000000, 0.0060339800000000, -0.0115964400000000 ] - [ 0.0074375700000000, 0.0034781500000000, -0.0042042400000000 ] - [ -0.0002780900000000, -0.0003487600000000, -0.0003438200000000 ] - [ 0.0031928300000000, 0.0032864100000000, -0.0037998400000000 ] - [ -0.0009906800000000, 0.0000377400000000, -0.0007445600000000 ] - [ 0.0005543800000000, 0.0001682300000000, -0.0004017200000000 ] - [ -0.0013839100000000, 0.0008871300000000, 0.0052091000000000 ] - [ 0.0009460100000000, -0.0012268800000000, 0.0000041600000000 ] - [ -0.0006376500000000, -0.0006343100000000, 0.0000425400000000 ] - [ 0.0194249100000000, -0.0362070600000000, -0.0130796600000000 ] - [ 0.0048063000000000, -0.0043827300000000, 0.0038384400000000 ] - [ -0.0002329600000000, -0.0004478700000000, -0.0001844800000000 ] - [ -0.0011218900000000, 0.0099031900000000, -0.0012861200000000 ] - [ -0.0023622200000000, 0.0030463100000000, -0.0000568800000000 ] - [ -0.0000254700000000, 0.0010907900000000, 0.0000177300000000 ] - [ 0.0008014400000000, -0.0031026300000000, -0.0002709900000000 ] - [ 0.0035981700000000, 0.0004075800000000, -0.0046520500000000 ] - [ -0.0001534200000000, -0.0001495100000000, 0.0000376900000000 ] - [ -0.0007105300000000, 0.0029826200000000, 0.0006687300000000 ] - [ -0.0016720400000000, 0.0018413800000000, 0.0010159600000000 ] - [ -0.0001225600000000, 0.0008554500000000, 0.0000505300000000 ]- atom: 25 displacement: [ -0.0000724750264154, 0.0000000000000000, 0.0099997373650784 ] forces: - [ 0.0350535600000000, -0.0229145500000000, 0.0213246800000000 ] - [ -0.0225933100000000, -0.0045026000000000, 0.0196281000000000 ] - [ -0.0002543800000000, 0.0003265600000000, -0.0000750900000000 ] - [ 0.0024125300000000, 0.0018468200000000, 0.0012140900000000 ] - [ -0.0020411700000000, 0.0034020400000000, 0.0009955400000000 ] - [ -0.0004932900000000, 0.0002388300000000, -0.0000123700000000 ] - [ -0.0226946200000000, 0.0048637000000000, 0.0195605100000000 ] - [ 0.0352397700000000, 0.0232284900000000, 0.0213700500000000 ] - [ -0.0002530500000000, -0.0000720000000000, -0.0000778500000000 ] - [ -0.0020627300000000, -0.0031664400000000, 0.0009794200000000 ] - [ 0.0024286200000000, -0.0016043900000000, 0.0012056700000000 ] - [ -0.0004917900000000, 0.0000122000000000, -0.0000136600000000 ] - [ -0.0063874100000000, 0.0401835400000000, 0.0356039400000000 ] - [ -0.0043750600000000, 0.0012311800000000, 0.0022735000000000 ] - [ 0.0032705300000000, 0.0027005700000000, -0.0014916600000000 ] - [ -0.0007704100000000, -0.0084384300000000, 0.0054526700000000 ] - [ -0.0028772900000000, -0.0010703000000000, 0.0014223900000000 ] - [ 0.0026579100000000, -0.0012456100000000, -0.0010588900000000 ] - [ -0.0063893900000000, -0.0391174400000000, 0.0358793500000000 ] - [ 0.0032730700000000, -0.0012219000000000, -0.0014978300000000 ] - [ -0.0043741200000000, 0.0002480100000000, 0.0022613000000000 ] - [ -0.0008082400000000, 0.0099203100000000, 0.0054274500000000 ] - [ 0.0026572800000000, 0.0027172500000000, -0.0010646100000000 ] - [ -0.0028616500000000, 0.0025303100000000, 0.0014125100000000 ] - [ 0.0020416200000000, 0.0002025200000000, -0.2519366200000000 ] - [ -0.0006054900000000, -0.0019819600000000, -0.0066414000000000 ] - [ -0.0005845200000000, 0.0009506200000000, -0.0066391100000000 ] - [ 0.0044444400000000, -0.0005328300000000, -0.0091393900000000 ] - [ -0.0002676000000000, -0.0002862300000000, -0.0027674500000000 ] - [ -0.0002629300000000, -0.0007593600000000, -0.0027688200000000 ] - [ -0.0003568000000000, -0.0005023700000000, 0.0251123300000000 ] - [ 0.0005859100000000, 0.0004398500000000, 0.0063648300000000 ] - [ 0.0005848800000000, -0.0014726900000000, 0.0063611800000000 ] - [ 0.0004621300000000, -0.0005259500000000, 0.0054954300000000 ] - [ -0.0005029300000000, -0.0000088200000000, 0.0026551200000000 ] - [ -0.0005024600000000, -0.0010379100000000, 0.0026485500000000 ] - [ -0.0064608100000000, -0.0065647300000000, -0.0170213300000000 ] - [ -0.0064521800000000, 0.0066540600000000, -0.0170083800000000 ] - [ -0.0003864000000000, 0.0000430900000000, -0.0014355600000000 ] - [ -0.0054477600000000, 0.0075759000000000, -0.0173200200000000 ] - [ -0.0055090200000000, -0.0075627200000000, -0.0173736300000000 ] - [ -0.0002484900000000, 0.0000424800000000, -0.0016195200000000 ] - [ 0.0005573700000000, 0.0024991600000000, 0.0072737100000000 ] - [ 0.0005782300000000, -0.0024232800000000, 0.0072739000000000 ] - [ -0.0002405700000000, 0.0000436100000000, 0.0015067200000000 ] - [ 0.0000837500000000, -0.0007910600000000, 0.0077517700000000 ] - [ 0.0000839900000000, 0.0008971400000000, 0.0077685800000000 ] - [ 0.0000101500000000, 0.0000416200000000, 0.0015730600000000 ] - [ -0.0066688400000000, 0.0072078200000000, 0.0063030900000000 ] - [ -0.0006926700000000, 0.0001737200000000, 0.0008149000000000 ] - [ 0.0032996400000000, 0.0014335400000000, -0.0013230800000000 ] - [ -0.0042522400000000, -0.0108655600000000, 0.0036905700000000 ] - [ -0.0007060700000000, -0.0000635200000000, 0.0006789600000000 ] - [ 0.0056176700000000, -0.0037824400000000, -0.0013350600000000 ] - [ 0.0063231300000000, -0.0052264700000000, -0.0063563800000000 ] - [ 0.0008307100000000, -0.0006332400000000, -0.0005105200000000 ] - [ -0.0010192100000000, -0.0008106700000000, -0.0003727700000000 ] - [ 0.0013385900000000, 0.0021813900000000, -0.0052944200000000 ] - [ 0.0005503200000000, -0.0004195900000000, -0.0003308500000000 ] - [ -0.0045155900000000, 0.0056765400000000, -0.0029168500000000 ] - [ -0.0168734300000000, -0.0173426300000000, 0.0255007400000000 ] - [ 0.0004358600000000, 0.0004066300000000, 0.0007734900000000 ] - [ -0.0036613900000000, 0.0026635200000000, 0.0094021500000000 ] - [ -0.0012010100000000, -0.0045347800000000, 0.0016682900000000 ] - [ 0.0002921700000000, 0.0001964800000000, 0.0005885600000000 ] - [ -0.0008461400000000, -0.0001241900000000, 0.0015882400000000 ] - [ 0.0018237400000000, -0.0019666500000000, -0.0089374800000000 ] - [ -0.0000667000000000, 0.0003352500000000, -0.0006948800000000 ] - [ 0.0034922600000000, -0.0006962600000000, -0.0060121000000000 ] - [ 0.0001432600000000, 0.0008495500000000, -0.0017418900000000 ] - [ 0.0004563800000000, 0.0005394500000000, -0.0005873100000000 ] - [ 0.0016951500000000, 0.0012309600000000, -0.0017797600000000 ] - [ 0.0224290600000000, -0.0170495000000000, 0.0481121400000000 ] - [ 0.0002435200000000, -0.0001999700000000, 0.0012192400000000 ] - [ 0.0064111600000000, 0.0018558900000000, 0.0020279500000000 ] - [ -0.0002237100000000, -0.0012846100000000, 0.0013932700000000 ] - [ 0.0000423400000000, -0.0005408700000000, 0.0006752500000000 ] - [ 0.0014168200000000, 0.0003314200000000, 0.0010326100000000 ] - [ 0.0016919900000000, 0.0009914200000000, -0.0123590100000000 ] - [ 0.0003629600000000, 0.0005614400000000, -0.0013456600000000 ] - [ -0.0067556200000000, -0.0035674400000000, -0.0045910100000000 ] - [ -0.0004610300000000, 0.0004039400000000, -0.0019575300000000 ] - [ 0.0004591900000000, 0.0005600100000000, -0.0005962500000000 ] - [ -0.0009757600000000, 0.0000242500000000, -0.0009909500000000 ] - [ 0.0012972100000000, -0.0005932300000000, 0.0182510500000000 ] - [ 0.0005867200000000, -0.0002068600000000, 0.0013628400000000 ] - [ -0.0005571700000000, -0.0021480300000000, 0.0046886500000000 ] - [ -0.0011179000000000, 0.0043683800000000, 0.0024612000000000 ] - [ 0.0003923300000000, -0.0000800900000000, 0.0009521900000000 ] - [ -0.0008953600000000, 0.0007797500000000, 0.0015027000000000 ] - [ -0.0027936200000000, 0.0008016800000000, -0.0111005200000000 ] - [ -0.0006247700000000, -0.0001618700000000, -0.0009736300000000 ] - [ 0.0004774500000000, -0.0005050500000000, -0.0022128200000000 ] - [ -0.0004566900000000, -0.0014174100000000, -0.0027597700000000 ] - [ -0.0003727000000000, -0.0007249500000000, -0.0008317900000000 ] - [ 0.0002837800000000, -0.0007482900000000, -0.0013069700000000 ] - [ 0.0013698900000000, -0.0001241100000000, 0.0182594100000000 ] - [ -0.0004026500000000, 0.0015362400000000, 0.0046131200000000 ] - [ 0.0007431400000000, -0.0004138700000000, 0.0012892000000000 ] - [ -0.0009630400000000, -0.0049484300000000, 0.0023912700000000 ] - [ -0.0007432400000000, -0.0013932900000000, 0.0014210600000000 ] - [ 0.0005482700000000, -0.0005347200000000, 0.0008752600000000 ] - [ -0.0026368000000000, -0.0013979800000000, -0.0111746000000000 ] - [ 0.0006178500000000, -0.0001124500000000, -0.0023029400000000 ] - [ -0.0004665600000000, -0.0004567700000000, -0.0010487300000000 ] - [ -0.0003186600000000, 0.0008044700000000, -0.0028409300000000 ] - [ 0.0004370400000000, 0.0001372600000000, -0.0013951100000000 ] - [ -0.0002146800000000, 0.0001096500000000, -0.0009071200000000 ] - [ 0.0198546600000000, 0.0159676800000000, 0.0444948200000000 ] - [ 0.0063098100000000, -0.0019967000000000, 0.0019605800000000 ] - [ 0.0001206400000000, 0.0000703600000000, 0.0011539700000000 ] - [ -0.0003478500000000, 0.0011469200000000, 0.0013284200000000 ] - [ 0.0013030800000000, -0.0004526000000000, 0.0009696700000000 ] - [ -0.0000791100000000, 0.0004143600000000, 0.0006130700000000 ] - [ 0.0016120000000000, -0.0011423500000000, -0.0124602500000000 ] - [ -0.0068695100000000, 0.0034406000000000, -0.0046471000000000 ] - [ 0.0002420800000000, -0.0006902400000000, -0.0014038900000000 ] - [ -0.0005763600000000, -0.0005386000000000, -0.0020081600000000 ] - [ -0.0010906200000000, -0.0001494600000000, -0.0010530700000000 ] - [ 0.0003349700000000, -0.0006818100000000, -0.0006536900000000 ] - [ -0.0063350300000000, -0.0075657100000000, 0.0057935100000000 ] - [ 0.0036202000000000, -0.0018023200000000, -0.0018225000000000 ] - [ -0.0003956900000000, -0.0005410800000000, 0.0003249200000000 ] - [ -0.0039010900000000, 0.0104014300000000, 0.0031692100000000 ] - [ 0.0059692300000000, 0.0034318600000000, -0.0018584400000000 ] - [ -0.0004101800000000, -0.0003033300000000, 0.0001892200000000 ] - [ 0.0066646400000000, 0.0048778000000000, -0.0068621100000000 ] - [ -0.0007111000000000, 0.0004489000000000, -0.0008531200000000 ] - [ 0.0011253500000000, 0.0002650100000000, -0.0009963900000000 ] - [ 0.0016574200000000, -0.0025615900000000, -0.0057576300000000 ] - [ -0.0042059100000000, -0.0060429500000000, -0.0033929100000000 ] - [ 0.0008433000000000, 0.0000510100000000, -0.0008162100000000 ] - [ -0.0179028900000000, 0.0187690400000000, 0.0256860400000000 ] - [ -0.0039283400000000, -0.0019546100000000, 0.0093524700000000 ] - [ 0.0001703600000000, 0.0003157100000000, 0.0007029200000000 ] - [ -0.0014565700000000, 0.0052615700000000, 0.0015929700000000 ] - [ -0.0011269100000000, 0.0008569800000000, 0.0015083100000000 ] - [ 0.0000298000000000, 0.0005262900000000, 0.0005171600000000 ] - [ 0.0015949500000000, 0.0026694400000000, -0.0090183200000000 ] - [ 0.0032194300000000, 0.0014260700000000, -0.0061116100000000 ] - [ -0.0003271400000000, 0.0003861400000000, -0.0007672600000000 ] - [ -0.0001105800000000, -0.0001127600000000, -0.0018320000000000 ] - [ 0.0014120300000000, -0.0004958500000000, -0.0018650000000000 ] - [ 0.0001947500000000, 0.0001836700000000, -0.0006594800000000 ]- atom: 37 displacement: [ 0.0099999975103145, 0.0000000000000000, -0.0000070564653367 ] forces: - [ -0.0140426400000000, -0.0010221700000000, 0.0007994400000000 ] - [ 0.0049516600000000, 0.0018431000000000, -0.0014770200000000 ] - [ 0.0052176600000000, -0.0022331400000000, 0.0018945900000000 ] - [ -0.0322093200000000, -0.0073266200000000, 0.0052771600000000 ] - [ 0.0056108900000000, -0.0023989200000000, -0.0026689300000000 ] - [ 0.0059631500000000, 0.0027098600000000, 0.0028875900000000 ] - [ -0.0140298300000000, 0.0012717400000000, 0.0007957000000000 ] - [ 0.0052194300000000, 0.0024876700000000, 0.0018874700000000 ] - [ 0.0049427800000000, -0.0015788500000000, -0.0014626800000000 ] - [ -0.0322183000000000, 0.0076882700000000, 0.0051549900000000 ] - [ 0.0059747600000000, -0.0024762600000000, 0.0028937600000000 ] - [ 0.0055979000000000, 0.0026460800000000, -0.0026399300000000 ] - [ 0.0138524300000000, 0.0119915800000000, -0.0196538900000000 ] - [ 0.0062519400000000, 0.0008955400000000, -0.0000374100000000 ] - [ 0.0131407500000000, -0.0003331200000000, 0.0275575300000000 ] - [ -0.0015993100000000, -0.0004353300000000, -0.0018108000000000 ] - [ 0.0041996600000000, 0.0008485300000000, -0.0005740400000000 ] - [ -0.0013725600000000, 0.0022283700000000, 0.0029455100000000 ] - [ 0.0131305300000000, 0.0018904300000000, 0.0276464000000000 ] - [ 0.0062497700000000, 0.0005816800000000, -0.0000292100000000 ] - [ 0.0138773800000000, -0.0105256000000000, -0.0195233600000000 ] - [ -0.0013919900000000, -0.0007480200000000, 0.0029480700000000 ] - [ 0.0041978500000000, 0.0006184100000000, -0.0005717100000000 ] - [ -0.0015811700000000, 0.0019092600000000, -0.0018094000000000 ] - [ 0.0110572600000000, 0.0222000800000000, -0.0063258800000000 ] - [ 0.0058827500000000, -0.0005158600000000, -0.0003560700000000 ] - [ 0.0110818000000000, -0.0231590600000000, -0.0063919500000000 ] - [ 0.0119550400000000, -0.0212524300000000, -0.0053564600000000 ] - [ 0.0057641700000000, -0.0005254000000000, -0.0002186000000000 ] - [ 0.0119785900000000, 0.0201033100000000, -0.0053922600000000 ] - [ -0.0017160000000000, 0.0024980800000000, 0.0005582200000000 ] - [ 0.0045365600000000, -0.0005193100000000, -0.0002214000000000 ] - [ -0.0016973400000000, -0.0035376600000000, 0.0005550700000000 ] - [ -0.0015749600000000, -0.0020273500000000, 0.0000753000000000 ] - [ 0.0044840000000000, -0.0005240600000000, 0.0000282600000000 ] - [ -0.0015399500000000, 0.0009928400000000, 0.0000715300000000 ] - [ -0.2301973000000000, -0.0007182200000000, -0.0055472100000000 ] - [ 0.0101621600000000, -0.0007609300000000, 0.0002681000000000 ] - [ 0.0101361700000000, 0.0008428800000000, 0.0002495800000000 ] - [ -0.0086113000000000, 0.0000531400000000, -0.0027155400000000 ] - [ 0.0033334100000000, 0.0007176400000000, 0.0008930900000000 ] - [ 0.0033626000000000, -0.0006282700000000, 0.0008778700000000 ] - [ -0.0099521800000000, 0.0000424600000000, -0.0002877000000000 ] - [ 0.0040060100000000, -0.0006384100000000, -0.0004117200000000 ] - [ 0.0040389100000000, 0.0007306100000000, -0.0004255000000000 ] - [ -0.0039711800000000, 0.0000511600000000, -0.0001394700000000 ] - [ 0.0018834900000000, 0.0006113300000000, 0.0001316300000000 ] - [ 0.0019150500000000, -0.0005213700000000, 0.0001208000000000 ] - [ -0.0063118200000000, 0.0025030400000000, -0.0012762500000000 ] - [ -0.0036024400000000, 0.0006822700000000, 0.0015067000000000 ] - [ 0.0325809000000000, 0.0041486300000000, -0.0238068000000000 ] - [ -0.0007740600000000, -0.0003468500000000, -0.0002036300000000 ] - [ -0.0024985500000000, 0.0009017500000000, 0.0009460900000000 ] - [ 0.0026754500000000, -0.0007576300000000, 0.0002331700000000 ] - [ -0.0035103100000000, 0.0021391500000000, 0.0026553100000000 ] - [ -0.0028459800000000, 0.0007876300000000, 0.0002936100000000 ] - [ 0.0076523400000000, -0.0031228200000000, -0.0041553500000000 ] - [ -0.0007121200000000, -0.0003732100000000, 0.0008156900000000 ] - [ -0.0019939800000000, 0.0010456000000000, 0.0003278100000000 ] - [ 0.0021978200000000, -0.0012275300000000, -0.0004306800000000 ] - [ -0.0041286200000000, -0.0032657200000000, 0.0025884800000000 ] - [ -0.0021252800000000, 0.0000086800000000, 0.0007644100000000 ] - [ 0.0055092000000000, 0.0060600000000000, -0.0018218500000000 ] - [ -0.0052007500000000, 0.0019154300000000, 0.0026800700000000 ] - [ -0.0031290300000000, -0.0010364100000000, 0.0006852500000000 ] - [ 0.0251955100000000, 0.0081131900000000, 0.0014134900000000 ] - [ -0.0006638700000000, -0.0006737100000000, 0.0000539200000000 ] - [ -0.0017840300000000, 0.0001541200000000, 0.0010775300000000 ] - [ 0.0028567100000000, 0.0016583700000000, -0.0009265600000000 ] - [ -0.0000249200000000, 0.0012641600000000, -0.0003686200000000 ] - [ -0.0024723700000000, -0.0004156800000000, 0.0013466900000000 ] - [ 0.0041194600000000, -0.0022763600000000, -0.0003784500000000 ] - [ -0.0055523100000000, -0.0038568700000000, -0.0030751500000000 ] - [ -0.0030128700000000, -0.0007805900000000, -0.0006971200000000 ] - [ 0.0060223800000000, 0.0076818200000000, 0.0059309600000000 ] - [ -0.0018286300000000, 0.0016424800000000, -0.0024446800000000 ] - [ -0.0027238500000000, -0.0013280200000000, -0.0007965700000000 ] - [ 0.0045160500000000, -0.0022231200000000, 0.0043073900000000 ] - [ -0.0017794800000000, -0.0032981200000000, 0.0016783400000000 ] - [ -0.0025394200000000, -0.0009443900000000, -0.0008783200000000 ] - [ 0.0031686900000000, 0.0042703200000000, -0.0037517600000000 ] - [ 0.0003861300000000, 0.0007462800000000, 0.0006224800000000 ] - [ -0.0026220300000000, -0.0013317500000000, -0.0011160900000000 ] - [ 0.0034193900000000, 0.0005143100000000, 0.0002406200000000 ] - [ -0.0056683600000000, -0.0021594700000000, 0.0012274300000000 ] - [ -0.0035254300000000, 0.0006239200000000, -0.0008891500000000 ] - [ 0.0391353700000000, -0.0308851700000000, 0.0194961600000000 ] - [ -0.0011565500000000, 0.0019102100000000, 0.0014048100000000 ] - [ -0.0019689500000000, 0.0000785000000000, -0.0003989000000000 ] - [ 0.0019403800000000, -0.0043768100000000, -0.0003905000000000 ] - [ -0.0024800100000000, -0.0016761900000000, -0.0038603500000000 ] - [ -0.0025707400000000, 0.0003530900000000, -0.0005705100000000 ] - [ 0.0033638400000000, 0.0004116000000000, 0.0038214500000000 ] - [ -0.0001767200000000, -0.0002237100000000, -0.0003863400000000 ] - [ -0.0015223400000000, 0.0000581100000000, -0.0002746100000000 ] - [ 0.0014295700000000, -0.0008743100000000, 0.0006355000000000 ] - [ 0.0405755300000000, 0.0320208100000000, 0.0206657900000000 ] - [ -0.0033578200000000, -0.0012461300000000, -0.0009709300000000 ] - [ -0.0054985100000000, 0.0015112100000000, 0.0011319600000000 ] - [ 0.0020781200000000, 0.0037626300000000, -0.0004852900000000 ] - [ -0.0017936800000000, -0.0006928300000000, -0.0004781800000000 ] - [ -0.0010210600000000, -0.0025283800000000, 0.0013325000000000 ] - [ 0.0035047200000000, -0.0010191000000000, 0.0037339600000000 ] - [ -0.0023964700000000, -0.0009728100000000, -0.0006470900000000 ] - [ -0.0023439100000000, 0.0010580300000000, -0.0039310100000000 ] - [ 0.0015667000000000, 0.0002595800000000, 0.0005459600000000 ] - [ -0.0013474200000000, -0.0006735800000000, -0.0003524300000000 ] - [ -0.0000411100000000, -0.0003964500000000, -0.0004589000000000 ] - [ 0.0059338700000000, -0.0078493400000000, 0.0058894600000000 ] - [ -0.0031296900000000, 0.0006585600000000, -0.0007602600000000 ] - [ -0.0057164500000000, 0.0037286600000000, -0.0031367200000000 ] - [ 0.0044247000000000, 0.0020769300000000, 0.0042560800000000 ] - [ -0.0028410400000000, 0.0012154500000000, -0.0008602300000000 ] - [ -0.0019710900000000, -0.0017751900000000, -0.0025043300000000 ] - [ 0.0030653700000000, -0.0044109900000000, -0.0038012000000000 ] - [ -0.0026517000000000, 0.0008229700000000, -0.0009444400000000 ] - [ -0.0019172200000000, 0.0031638300000000, 0.0016161300000000 ] - [ 0.0033285300000000, -0.0006677100000000, 0.0001956900000000 ] - [ -0.0027397800000000, 0.0012180100000000, -0.0011835000000000 ] - [ 0.0002484500000000, -0.0008812700000000, 0.0005577800000000 ] - [ 0.0334503500000000, -0.0048078900000000, -0.0256457400000000 ] - [ -0.0033124600000000, -0.0010318700000000, 0.0010266600000000 ] - [ -0.0059970300000000, -0.0028852600000000, -0.0017360500000000 ] - [ 0.0030155400000000, 0.0003837500000000, -0.0002551200000000 ] - [ -0.0022012800000000, -0.0012516700000000, 0.0004598200000000 ] - [ -0.0004832100000000, -0.0000389400000000, -0.0006914800000000 ] - [ 0.0079978200000000, 0.0027563200000000, -0.0046503800000000 ] - [ -0.0025513000000000, -0.0011382100000000, -0.0001965400000000 ] - [ -0.0032230400000000, -0.0025254800000000, 0.0021617200000000 ] - [ 0.0025348100000000, 0.0008528300000000, -0.0009159400000000 ] - [ -0.0016941900000000, -0.0013929900000000, -0.0001582000000000 ] - [ -0.0004192500000000, -0.0000125300000000, 0.0003245900000000 ] - [ 0.0052443000000000, -0.0053296600000000, -0.0019245400000000 ] - [ -0.0024021700000000, 0.0007139300000000, 0.0006906700000000 ] - [ -0.0043769600000000, 0.0039820300000000, 0.0025180300000000 ] - [ 0.0253418300000000, -0.0081671400000000, 0.0017463700000000 ] - [ -0.0034132200000000, 0.0017664400000000, 0.0006117400000000 ] - [ -0.0054246300000000, -0.0011664200000000, 0.0025925800000000 ] - [ 0.0025892000000000, -0.0009242000000000, -0.0010243800000000 ] - [ -0.0020639000000000, 0.0005695100000000, 0.0010070000000000 ] - [ -0.0009096700000000, 0.0013956200000000, -0.0000181500000000 ] - [ 0.0038565900000000, 0.0030003200000000, -0.0005018800000000 ] - [ -0.0027544600000000, 0.0011406400000000, 0.0012792700000000 ] - [ -0.0002773000000000, -0.0005379400000000, -0.0004354400000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002777500000000, 0.0109909600000000, -0.0079569000000000 ] - [ 0.0015146300000000, 0.0016643900000000, -0.0016369900000000 ] - [ -0.0026527000000000, 0.0036425300000000, -0.0014448600000000 ] - [ -0.0092085700000000, 0.0074684400000000, 0.0356761500000000 ] - [ -0.0024788300000000, -0.0012046000000000, 0.0016900600000000 ] - [ 0.0026867200000000, -0.0030470000000000, 0.0011713800000000 ] - [ 0.0002777500000000, 0.0109909600000000, 0.0079569000000000 ] - [ 0.0026527000000000, 0.0036425300000000, 0.0014448600000000 ] - [ -0.0015146300000000, 0.0016643900000000, 0.0016369900000000 ] - [ 0.0092085700000000, 0.0074684400000000, -0.0356761500000000 ] - [ -0.0026867200000000, -0.0030470000000000, -0.0011713800000000 ] - [ 0.0024788300000000, -0.0012046000000000, -0.0016900600000000 ] - [ 0.0016603700000000, -0.0112711100000000, -0.0051957600000000 ] - [ -0.0002737100000000, -0.0007829300000000, -0.0000834300000000 ] - [ -0.0110126700000000, -0.0126437100000000, -0.0197362900000000 ] - [ -0.0016792000000000, 0.0074037700000000, 0.0023324700000000 ] - [ -0.0001128400000000, 0.0022305300000000, 0.0003267600000000 ] - [ 0.0013030800000000, 0.0076907000000000, 0.0017609600000000 ] - [ 0.0110126700000000, -0.0126437100000000, 0.0197362900000000 ] - [ 0.0002737100000000, -0.0007829300000000, 0.0000834300000000 ] - [ -0.0016603700000000, -0.0112711100000000, 0.0051957600000000 ] - [ -0.0013030800000000, 0.0076907000000000, -0.0017609600000000 ] - [ 0.0001128400000000, 0.0022305300000000, -0.0003267600000000 ] - [ 0.0016792000000000, 0.0074037700000000, -0.0023324700000000 ] - [ 0.0207691300000000, 0.0194739100000000, -0.0064121300000000 ] - [ 0.0000000000000000, -0.0004286700000000, 0.0000000000000000 ] - [ -0.0207691300000000, 0.0194739100000000, 0.0064121300000000 ] - [ -0.0243813500000000, 0.0189699400000000, 0.0074026300000000 ] - [ 0.0000000000000000, -0.0006567300000000, 0.0000000000000000 ] - [ 0.0243813500000000, 0.0189699400000000, -0.0074026300000000 ] - [ 0.0010553800000000, 0.0000891400000000, 0.0024664800000000 ] - [ 0.0000000000000000, -0.0002894500000000, 0.0000000000000000 ] - [ -0.0010553800000000, 0.0000891400000000, -0.0024664800000000 ] - [ -0.0034121500000000, -0.0000694700000000, -0.0008692600000000 ] - [ 0.0000000000000000, -0.0004677000000000, 0.0000000000000000 ] - [ 0.0034121500000000, -0.0000694700000000, 0.0008692600000000 ] - [ 0.0000000000000000, -0.2173445100000000, 0.0000000000000000 ] - [ 0.0007826500000000, -0.0047004700000000, -0.0007073100000000 ] - [ -0.0007826500000000, -0.0047004700000000, 0.0007073100000000 ] - [ 0.0000000000000000, 0.0111632500000000, 0.0000000000000000 ] - [ -0.0006827300000000, 0.0040416800000000, 0.0000039400000000 ] - [ 0.0006827300000000, 0.0040416800000000, -0.0000039400000000 ] - [ 0.0000000000000000, -0.0050988400000000, 0.0000000000000000 ] - [ 0.0006692400000000, -0.0028238300000000, 0.0006536900000000 ] - [ -0.0006692400000000, -0.0028238300000000, -0.0006536900000000 ] - [ 0.0000000000000000, 0.0046054700000000, 0.0000000000000000 ] - [ -0.0005774100000000, 0.0020325900000000, 0.0002789500000000 ] - [ 0.0005774100000000, 0.0020325900000000, -0.0002789500000000 ] - [ -0.0017467400000000, 0.0052867700000000, 0.0014924400000000 ] - [ -0.0008111400000000, 0.0011804000000000, 0.0002955400000000 ] - [ 0.0042419200000000, 0.0200324500000000, -0.0112186900000000 ] - [ 0.0008041800000000, -0.0028576300000000, -0.0001229500000000 ] - [ 0.0002820100000000, -0.0013600800000000, 0.0001619700000000 ] - [ 0.0014777100000000, -0.0047075900000000, -0.0001663700000000 ] - [ -0.0004583800000000, 0.0013722800000000, 0.0000872600000000 ] - [ -0.0004680700000000, 0.0009915500000000, 0.0000740700000000 ] - [ -0.0039884100000000, 0.0073622800000000, -0.0006222100000000 ] - [ 0.0010094200000000, -0.0019683000000000, -0.0002070200000000 ] - [ 0.0004173000000000, -0.0015391500000000, 0.0004888700000000 ] - [ 0.0013082200000000, -0.0037023600000000, 0.0005574300000000 ] - [ -0.0043556000000000, -0.0037376500000000, 0.0025127000000000 ] - [ 0.0005765500000000, -0.0002340700000000, -0.0001628900000000 ] - [ -0.0007670000000000, -0.0063434200000000, 0.0007921300000000 ] - [ 0.0049035000000000, 0.0034292000000000, -0.0020721400000000 ] - [ -0.0001436600000000, 0.0009616100000000, 0.0000021400000000 ] - [ 0.0120072400000000, 0.0257580700000000, 0.0084254600000000 ] - [ -0.0003615500000000, -0.0010181400000000, -0.0004125700000000 ] - [ 0.0001789000000000, -0.0001980800000000, -0.0001369100000000 ] - [ 0.0006325900000000, -0.0012122100000000, -0.0011987300000000 ] - [ 0.0011946000000000, 0.0019023600000000, 0.0000321500000000 ] - [ -0.0002443400000000, 0.0008683300000000, 0.0004528500000000 ] - [ -0.0026682600000000, 0.0023881700000000, 0.0042649600000000 ] - [ -0.0067094900000000, -0.0034380300000000, -0.0040875500000000 ] - [ 0.0003845300000000, 0.0000775700000000, -0.0001362100000000 ] - [ 0.0043618700000000, -0.0035987600000000, -0.0077865200000000 ] - [ 0.0044208200000000, -0.0014533200000000, 0.0040176300000000 ] - [ -0.0005054300000000, -0.0004068800000000, 0.0001183500000000 ] - [ -0.0035899000000000, -0.0053629800000000, 0.0039829600000000 ] - [ -0.0005083100000000, 0.0012924200000000, -0.0004430000000000 ] - [ 0.0006342100000000, 0.0002655500000000, 0.0002450700000000 ] - [ 0.0009556200000000, -0.0015473600000000, 0.0049458900000000 ] - [ 0.0012600600000000, -0.0002237800000000, 0.0000594700000000 ] - [ -0.0002428900000000, -0.0003088800000000, -0.0000852200000000 ] - [ -0.0029942000000000, -0.0031075100000000, -0.0034478800000000 ] - [ -0.0037037700000000, 0.0030740400000000, 0.0034438100000000 ] - [ 0.0003543600000000, 0.0002521300000000, 0.0002207200000000 ] - [ -0.0255657900000000, 0.0426778100000000, -0.0168539700000000 ] - [ 0.0031093900000000, -0.0051481200000000, -0.0013636200000000 ] - [ -0.0005004000000000, -0.0008562200000000, -0.0001784300000000 ] - [ 0.0001100800000000, -0.0069400200000000, -0.0012472000000000 ] - [ -0.0030327300000000, -0.0007079900000000, -0.0042245500000000 ] - [ 0.0001047000000000, 0.0000819800000000, 0.0002247100000000 ] - [ -0.0007761400000000, 0.0022526000000000, -0.0001278500000000 ] - [ 0.0012086800000000, -0.0016378000000000, 0.0006237100000000 ] - [ -0.0002377900000000, -0.0007012500000000, 0.0000113000000000 ] - [ 0.0002057200000000, -0.0020868700000000, 0.0005033100000000 ] - [ 0.0255657900000000, 0.0426778100000000, 0.0168539700000000 ] - [ -0.0003543600000000, 0.0002521300000000, -0.0002207200000000 ] - [ 0.0037037700000000, 0.0030740400000000, -0.0034438100000000 ] - [ -0.0001100800000000, -0.0069400200000000, 0.0012472000000000 ] - [ 0.0005004000000000, -0.0008562200000000, 0.0001784300000000 ] - [ -0.0031093900000000, -0.0051481200000000, 0.0013636200000000 ] - [ 0.0007761400000000, 0.0022526000000000, 0.0001278500000000 ] - [ -0.0001047000000000, 0.0000819800000000, -0.0002247100000000 ] - [ 0.0030327300000000, -0.0007079900000000, 0.0042245500000000 ] - [ -0.0002057200000000, -0.0020868700000000, -0.0005033100000000 ] - [ 0.0002377900000000, -0.0007012500000000, -0.0000113000000000 ] - [ -0.0012086800000000, -0.0016378000000000, -0.0006237100000000 ] - [ -0.0043618700000000, -0.0035987600000000, 0.0077865200000000 ] - [ -0.0003845300000000, 0.0000775700000000, 0.0001362100000000 ] - [ 0.0067094900000000, -0.0034380300000000, 0.0040875500000000 ] - [ 0.0035899000000000, -0.0053629800000000, -0.0039829600000000 ] - [ 0.0005054300000000, -0.0004068800000000, -0.0001183500000000 ] - [ -0.0044208200000000, -0.0014533200000000, -0.0040176300000000 ] - [ -0.0009556200000000, -0.0015473600000000, -0.0049458900000000 ] - [ -0.0006342100000000, 0.0002655500000000, -0.0002450700000000 ] - [ 0.0005083100000000, 0.0012924200000000, 0.0004430000000000 ] - [ 0.0029942000000000, -0.0031075100000000, 0.0034478800000000 ] - [ 0.0002428900000000, -0.0003088800000000, 0.0000852200000000 ] - [ -0.0012600600000000, -0.0002237800000000, -0.0000594700000000 ] - [ -0.0042419200000000, 0.0200324500000000, 0.0112186900000000 ] - [ 0.0008111400000000, 0.0011804000000000, -0.0002955400000000 ] - [ 0.0017467400000000, 0.0052867700000000, -0.0014924400000000 ] - [ -0.0014777100000000, -0.0047075900000000, 0.0001663700000000 ] - [ -0.0002820100000000, -0.0013600800000000, -0.0001619700000000 ] - [ -0.0008041800000000, -0.0028576300000000, 0.0001229500000000 ] - [ 0.0039884100000000, 0.0073622800000000, 0.0006222100000000 ] - [ 0.0004680700000000, 0.0009915500000000, -0.0000740700000000 ] - [ 0.0004583800000000, 0.0013722800000000, -0.0000872600000000 ] - [ -0.0013082200000000, -0.0037023600000000, -0.0005574300000000 ] - [ -0.0004173000000000, -0.0015391500000000, -0.0004888700000000 ] - [ -0.0010094200000000, -0.0019683000000000, 0.0002070200000000 ] - [ 0.0007670000000000, -0.0063434200000000, -0.0007921300000000 ] - [ -0.0005765500000000, -0.0002340700000000, 0.0001628900000000 ] - [ 0.0043556000000000, -0.0037376500000000, -0.0025127000000000 ] - [ -0.0120072400000000, 0.0257580700000000, -0.0084254600000000 ] - [ 0.0001436600000000, 0.0009616100000000, -0.0000021400000000 ] - [ -0.0049035000000000, 0.0034292000000000, 0.0020721400000000 ] - [ -0.0006325900000000, -0.0012122100000000, 0.0011987300000000 ] - [ -0.0001789000000000, -0.0001980800000000, 0.0001369100000000 ] - [ 0.0003615500000000, -0.0010181400000000, 0.0004125700000000 ] - [ 0.0026682600000000, 0.0023881700000000, -0.0042649600000000 ] - [ 0.0002443400000000, 0.0008683300000000, -0.0004528500000000 ] - [ -0.0011946000000000, 0.0019023600000000, -0.0000321500000000 ]- atom: 37 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002347900000000, -0.0107005200000000, 0.0078919400000000 ] - [ -0.0014937600000000, -0.0014175300000000, 0.0016287100000000 ] - [ 0.0026435800000000, -0.0034022200000000, 0.0014542200000000 ] - [ 0.0092386000000000, -0.0071606600000000, -0.0358841800000000 ] - [ 0.0024901500000000, 0.0014672100000000, -0.0016973200000000 ] - [ -0.0026983700000000, 0.0033069800000000, -0.0011659600000000 ] - [ -0.0002347900000000, -0.0107005200000000, -0.0078919400000000 ] - [ -0.0026435800000000, -0.0034022200000000, -0.0014542200000000 ] - [ 0.0014937600000000, -0.0014175300000000, -0.0016287100000000 ] - [ -0.0092386000000000, -0.0071606600000000, 0.0358841800000000 ] - [ 0.0026983700000000, 0.0033069800000000, 0.0011659600000000 ] - [ -0.0024901500000000, 0.0014672100000000, 0.0016973200000000 ] - [ -0.0017177300000000, 0.0126169600000000, 0.0052301200000000 ] - [ 0.0002752200000000, 0.0022563700000000, 0.0000832300000000 ] - [ 0.0110647600000000, 0.0141191500000000, 0.0198094400000000 ] - [ 0.0016914700000000, -0.0059342500000000, -0.0023497200000000 ] - [ 0.0001144800000000, -0.0007560500000000, -0.0003280200000000 ] - [ -0.0013070000000000, -0.0062068200000000, -0.0017727300000000 ] - [ -0.0110647600000000, 0.0141191500000000, -0.0198094400000000 ] - [ -0.0002752200000000, 0.0022563700000000, -0.0000832300000000 ] - [ 0.0017177300000000, 0.0126169600000000, -0.0052301200000000 ] - [ 0.0013070000000000, -0.0062068200000000, 0.0017727300000000 ] - [ -0.0001144800000000, -0.0007560500000000, 0.0003280200000000 ] - [ -0.0016914700000000, -0.0059342500000000, 0.0023497200000000 ] - [ -0.0206448200000000, -0.0205062700000000, 0.0065153000000000 ] - [ 0.0000000000000000, -0.0006172800000000, 0.0000000000000000 ] - [ 0.0206448200000000, -0.0205062700000000, -0.0065153000000000 ] - [ 0.0245095400000000, -0.0200657000000000, -0.0073781500000000 ] - [ 0.0000000000000000, -0.0003807400000000, 0.0000000000000000 ] - [ -0.0245095400000000, -0.0200657000000000, 0.0073781500000000 ] - [ -0.0010593800000000, -0.0011462700000000, -0.0024661200000000 ] - [ 0.0000000000000000, -0.0007576200000000, 0.0000000000000000 ] - [ 0.0010593800000000, -0.0011462700000000, 0.0024661200000000 ] - [ 0.0033956600000000, -0.0009523300000000, 0.0008722100000000 ] - [ 0.0000000000000000, -0.0005716700000000, 0.0000000000000000 ] - [ -0.0033956600000000, -0.0009523300000000, -0.0008722100000000 ] - [ 0.0000000000000000, 0.2181974700000000, 0.0000000000000000 ] - [ -0.0008160500000000, 0.0047844000000000, 0.0007218100000000 ] - [ 0.0008160500000000, 0.0047844000000000, -0.0007218100000000 ] - [ 0.0000000000000000, -0.0110566800000000, 0.0000000000000000 ] - [ 0.0006659700000000, -0.0039574100000000, 0.0000126000000000 ] - [ -0.0006659700000000, -0.0039574100000000, -0.0000126000000000 ] - [ 0.0000000000000000, 0.0051923000000000, 0.0000000000000000 ] - [ -0.0007007700000000, 0.0029136900000000, -0.0006395800000000 ] - [ 0.0007007700000000, 0.0029136900000000, 0.0006395800000000 ] - [ 0.0000000000000000, -0.0045026000000000, 0.0000000000000000 ] - [ 0.0005551500000000, -0.0019454000000000, -0.0002697700000000 ] - [ -0.0005551500000000, -0.0019454000000000, 0.0002697700000000 ] - [ 0.0014549000000000, -0.0056838100000000, -0.0010080500000000 ] - [ 0.0005162200000000, -0.0015324100000000, 0.0001894700000000 ] - [ -0.0044958600000000, -0.0202545700000000, 0.0116041000000000 ] - [ -0.0011047600000000, 0.0024763500000000, 0.0006112500000000 ] - [ -0.0005750200000000, 0.0010091000000000, 0.0003231700000000 ] - [ -0.0018108800000000, 0.0043258300000000, 0.0006489700000000 ] - [ 0.0001702500000000, -0.0017617800000000, 0.0003998400000000 ] - [ 0.0001722000000000, -0.0013444600000000, 0.0004113100000000 ] - [ 0.0036493800000000, -0.0077540200000000, 0.0011036800000000 ] - [ -0.0013134500000000, 0.0015886600000000, 0.0007025300000000 ] - [ -0.0007139200000000, 0.0011918500000000, -0.0000050000000000 ] - [ -0.0016388100000000, 0.0033207700000000, -0.0000676300000000 ] - [ 0.0045946300000000, 0.0044606300000000, -0.0024405500000000 ] - [ -0.0002948400000000, 0.0009612800000000, 0.0002358800000000 ] - [ 0.0010551900000000, 0.0070696600000000, -0.0006879600000000 ] - [ -0.0046605800000000, -0.0027209100000000, 0.0021519500000000 ] - [ 0.0004230700000000, -0.0002394800000000, 0.0000693700000000 ] - [ -0.0129970000000000, -0.0265871800000000, -0.0093633000000000 ] - [ 0.0006035200000000, 0.0017427200000000, 0.0004874500000000 ] - [ 0.0001052300000000, 0.0009245100000000, 0.0002066300000000 ] - [ -0.0003552000000000, 0.0019496500000000, 0.0012840800000000 ] - [ -0.0009496700000000, -0.0011859300000000, 0.0000406100000000 ] - [ 0.0005245100000000, -0.0001457500000000, -0.0003812300000000 ] - [ 0.0029417200000000, -0.0016770900000000, -0.0041596500000000 ] - [ 0.0068703200000000, 0.0033314300000000, 0.0041460700000000 ] - [ -0.0002670200000000, -0.0001916500000000, 0.0002023600000000 ] - [ -0.0041834500000000, 0.0034287500000000, 0.0077779500000000 ] - [ -0.0042958300000000, 0.0013103800000000, -0.0039679200000000 ] - [ 0.0006205000000000, 0.0002887800000000, -0.0000538600000000 ] - [ 0.0037196400000000, 0.0052322400000000, -0.0039551800000000 ] - [ 0.0006357800000000, -0.0014140500000000, 0.0005014700000000 ] - [ -0.0005191800000000, -0.0003815700000000, -0.0001807800000000 ] - [ -0.0008324200000000, 0.0014258400000000, -0.0048892000000000 ] - [ -0.0011363900000000, 0.0000782300000000, 0.0000028300000000 ] - [ 0.0003577900000000, 0.0001910000000000, 0.0001498900000000 ] - [ 0.0030923500000000, 0.0029545400000000, 0.0034987400000000 ] - [ 0.0035600300000000, -0.0036720600000000, -0.0033659400000000 ] - [ -0.0005278500000000, -0.0008698400000000, -0.0001413800000000 ] - [ 0.0236913100000000, -0.0421348300000000, 0.0157759500000000 ] - [ -0.0032599400000000, 0.0045352200000000, 0.0014376000000000 ] - [ 0.0003294900000000, 0.0002377400000000, 0.0002579900000000 ] - [ -0.0002299900000000, 0.0063296000000000, 0.0013504600000000 ] - [ 0.0028965400000000, 0.0000985200000000, 0.0043046100000000 ] - [ -0.0002789300000000, -0.0006982900000000, -0.0001462200000000 ] - [ 0.0006407900000000, -0.0028484700000000, 0.0002251600000000 ] - [ -0.0013506700000000, 0.0010170300000000, -0.0005542700000000 ] - [ 0.0000667300000000, 0.0000829200000000, 0.0000675300000000 ] - [ -0.0003385700000000, 0.0014700300000000, -0.0004175100000000 ] - [ -0.0236913100000000, -0.0421348300000000, -0.0157759500000000 ] - [ 0.0005278500000000, -0.0008698400000000, 0.0001413800000000 ] - [ -0.0035600300000000, -0.0036720600000000, 0.0033659400000000 ] - [ 0.0002299900000000, 0.0063296000000000, -0.0013504600000000 ] - [ -0.0003294900000000, 0.0002377400000000, -0.0002579900000000 ] - [ 0.0032599400000000, 0.0045352200000000, -0.0014376000000000 ] - [ -0.0006407900000000, -0.0028484700000000, -0.0002251600000000 ] - [ 0.0002789300000000, -0.0006982900000000, 0.0001462200000000 ] - [ -0.0028965400000000, 0.0000985200000000, -0.0043046100000000 ] - [ 0.0003385700000000, 0.0014700300000000, 0.0004175100000000 ] - [ -0.0000667300000000, 0.0000829200000000, -0.0000675300000000 ] - [ 0.0013506700000000, 0.0010170300000000, 0.0005542700000000 ] - [ 0.0041834500000000, 0.0034287500000000, -0.0077779500000000 ] - [ 0.0002670200000000, -0.0001916500000000, -0.0002023600000000 ] - [ -0.0068703200000000, 0.0033314300000000, -0.0041460700000000 ] - [ -0.0037196400000000, 0.0052322400000000, 0.0039551800000000 ] - [ -0.0006205000000000, 0.0002887800000000, 0.0000538600000000 ] - [ 0.0042958300000000, 0.0013103800000000, 0.0039679200000000 ] - [ 0.0008324200000000, 0.0014258400000000, 0.0048892000000000 ] - [ 0.0005191800000000, -0.0003815700000000, 0.0001807800000000 ] - [ -0.0006357800000000, -0.0014140500000000, -0.0005014700000000 ] - [ -0.0030923500000000, 0.0029545400000000, -0.0034987400000000 ] - [ -0.0003577900000000, 0.0001910000000000, -0.0001498900000000 ] - [ 0.0011363900000000, 0.0000782300000000, -0.0000028300000000 ] - [ 0.0044958600000000, -0.0202545700000000, -0.0116041000000000 ] - [ -0.0005162200000000, -0.0015324100000000, -0.0001894700000000 ] - [ -0.0014549000000000, -0.0056838100000000, 0.0010080500000000 ] - [ 0.0018108800000000, 0.0043258300000000, -0.0006489700000000 ] - [ 0.0005750200000000, 0.0010091000000000, -0.0003231700000000 ] - [ 0.0011047600000000, 0.0024763500000000, -0.0006112500000000 ] - [ -0.0036493800000000, -0.0077540200000000, -0.0011036800000000 ] - [ -0.0001722000000000, -0.0013444600000000, -0.0004113100000000 ] - [ -0.0001702500000000, -0.0017617800000000, -0.0003998400000000 ] - [ 0.0016388100000000, 0.0033207700000000, 0.0000676300000000 ] - [ 0.0007139200000000, 0.0011918500000000, 0.0000050000000000 ] - [ 0.0013134500000000, 0.0015886600000000, -0.0007025300000000 ] - [ -0.0010551900000000, 0.0070696600000000, 0.0006879600000000 ] - [ 0.0002948400000000, 0.0009612800000000, -0.0002358800000000 ] - [ -0.0045946300000000, 0.0044606300000000, 0.0024405500000000 ] - [ 0.0129970000000000, -0.0265871800000000, 0.0093633000000000 ] - [ -0.0004230700000000, -0.0002394800000000, -0.0000693700000000 ] - [ 0.0046605800000000, -0.0027209100000000, -0.0021519500000000 ] - [ 0.0003552000000000, 0.0019496500000000, -0.0012840800000000 ] - [ -0.0001052300000000, 0.0009245100000000, -0.0002066300000000 ] - [ -0.0006035200000000, 0.0017427200000000, -0.0004874500000000 ] - [ -0.0029417200000000, -0.0016770900000000, 0.0041596500000000 ] - [ -0.0005245100000000, -0.0001457500000000, 0.0003812300000000 ] - [ 0.0009496700000000, -0.0011859300000000, -0.0000406100000000 ]- atom: 37 displacement: [ -0.0000724750264154, 0.0000000000000000, 0.0099997373650784 ] forces: - [ 0.0006295200000000, -0.0070313900000000, 0.0039238600000000 ] - [ -0.0015140000000000, -0.0016645600000000, -0.0016280200000000 ] - [ 0.0017815500000000, -0.0009029100000000, 0.0011758100000000 ] - [ 0.0046504500000000, 0.0345272400000000, 0.0311918600000000 ] - [ -0.0024563100000000, 0.0022175400000000, -0.0007150600000000 ] - [ 0.0027615100000000, 0.0010197400000000, 0.0014384700000000 ] - [ 0.0006539800000000, 0.0073178600000000, 0.0039130300000000 ] - [ 0.0017905600000000, 0.0011544600000000, 0.0011608200000000 ] - [ -0.0015299700000000, 0.0019226000000000, -0.0016287000000000 ] - [ 0.0046598300000000, -0.0345868100000000, 0.0313422900000000 ] - [ 0.0027700200000000, -0.0007678600000000, 0.0014207600000000 ] - [ -0.0024702300000000, -0.0019624700000000, -0.0007154800000000 ] - [ -0.0282325200000000, -0.0177826900000000, 0.0174293300000000 ] - [ 0.0000073700000000, 0.0004217300000000, -0.0000966600000000 ] - [ 0.0195105300000000, -0.0042768200000000, 0.0170241000000000 ] - [ -0.0028585900000000, 0.0026135400000000, 0.0004655300000000 ] - [ 0.0004679000000000, 0.0009696500000000, -0.0000028700000000 ] - [ 0.0020667800000000, 0.0031250200000000, 0.0005763700000000 ] - [ 0.0196387400000000, 0.0058439100000000, 0.0169736700000000 ] - [ 0.0000065100000000, 0.0010506600000000, -0.0000999400000000 ] - [ -0.0283570800000000, 0.0192589300000000, 0.0174738300000000 ] - [ 0.0020638700000000, -0.0016525100000000, 0.0005564400000000 ] - [ 0.0004671700000000, 0.0005000400000000, -0.0000050900000000 ] - [ -0.0028565100000000, -0.0011459800000000, 0.0004611200000000 ] - [ 0.0049574200000000, 0.0055244700000000, -0.0168990600000000 ] - [ 0.0004461000000000, -0.0005210400000000, -0.0014243600000000 ] - [ 0.0050104100000000, -0.0066284400000000, -0.0169721500000000 ] - [ 0.0058562700000000, -0.0052048100000000, -0.0172450100000000 ] - [ 0.0004477500000000, -0.0005211300000000, -0.0016089800000000 ] - [ 0.0059257300000000, 0.0042189900000000, -0.0172913400000000 ] - [ -0.0001035200000000, -0.0012599600000000, 0.0072668400000000 ] - [ -0.0000959800000000, -0.0005209800000000, 0.0015142800000000 ] - [ -0.0001084700000000, 0.0002352600000000, 0.0072649200000000 ] - [ -0.0002764100000000, 0.0015172600000000, 0.0077605500000000 ] - [ -0.0001140800000000, -0.0005218600000000, 0.0015792100000000 ] - [ -0.0002756600000000, -0.0025682100000000, 0.0077476100000000 ] - [ -0.0040270400000000, 0.0009736900000000, -0.2630786200000000 ] - [ 0.0001657900000000, 0.0007595100000000, -0.0042323800000000 ] - [ 0.0001974800000000, -0.0006791500000000, -0.0042477600000000 ] - [ -0.0026568300000000, 0.0000502500000000, -0.0048940500000000 ] - [ 0.0008471700000000, 0.0000428500000000, -0.0007547300000000 ] - [ 0.0008740300000000, 0.0000450600000000, -0.0007684000000000 ] - [ -0.0002037300000000, 0.0000484700000000, 0.0168656200000000 ] - [ -0.0004539300000000, -0.0005972700000000, 0.0039621300000000 ] - [ -0.0004359900000000, 0.0006851900000000, 0.0039495400000000 ] - [ -0.0001091000000000, 0.0000496900000000, 0.0031456100000000 ] - [ 0.0001020500000000, -0.0002346100000000, 0.0012044900000000 ] - [ 0.0001251800000000, 0.0003197300000000, 0.0011920600000000 ] - [ -0.0048038500000000, 0.0013073200000000, 0.0014241800000000 ] - [ 0.0003723200000000, -0.0002429700000000, 0.0005405100000000 ] - [ -0.0261956200000000, -0.0135322300000000, 0.0528860800000000 ] - [ -0.0010572200000000, 0.0001349100000000, 0.0005962600000000 ] - [ -0.0004948000000000, -0.0003158000000000, 0.0007382400000000 ] - [ 0.0004327200000000, -0.0009440500000000, 0.0011524900000000 ] - [ 0.0047917300000000, -0.0030443900000000, -0.0033183400000000 ] - [ -0.0007057600000000, 0.0000098400000000, -0.0002141200000000 ] - [ -0.0027196100000000, -0.0000802500000000, -0.0090366600000000 ] - [ 0.0005525100000000, -0.0001905300000000, -0.0002202400000000 ] - [ -0.0004569100000000, 0.0001492900000000, -0.0000576100000000 ] - [ -0.0001285800000000, 0.0000891700000000, -0.0008920600000000 ] - [ -0.0020131600000000, -0.0003165600000000, 0.0027343900000000 ] - [ -0.0004517700000000, 0.0002686800000000, 0.0005614200000000 ] - [ 0.0003121900000000, 0.0029528400000000, 0.0017810000000000 ] - [ 0.0014037100000000, -0.0021307300000000, 0.0032351000000000 ] - [ -0.0006110900000000, -0.0000183600000000, 0.0009813900000000 ] - [ 0.0025791300000000, 0.0057046300000000, 0.0226062500000000 ] - [ 0.0004714600000000, 0.0004304500000000, -0.0011752500000000 ] - [ 0.0004545400000000, 0.0003249100000000, -0.0003922500000000 ] - [ 0.0007620100000000, -0.0002322000000000, -0.0019306700000000 ] - [ -0.0003472000000000, 0.0005070500000000, -0.0016636900000000 ] - [ 0.0009622100000000, 0.0008970300000000, -0.0007438100000000 ] - [ 0.0032239000000000, 0.0020886400000000, -0.0093596400000000 ] - [ -0.0033227900000000, -0.0035066500000000, 0.0001342800000000 ] - [ 0.0003982600000000, -0.0001878100000000, 0.0004572100000000 ] - [ 0.0037322000000000, -0.0081985100000000, 0.0036287100000000 ] - [ -0.0014479700000000, 0.0005251200000000, -0.0002756100000000 ] - [ 0.0005938600000000, 0.0003548700000000, 0.0005692300000000 ] - [ 0.0059239000000000, 0.0067900700000000, 0.0042596700000000 ] - [ 0.0031810300000000, 0.0052671200000000, -0.0033390200000000 ] - [ -0.0004432800000000, -0.0001010100000000, -0.0004989600000000 ] - [ -0.0014543300000000, 0.0020947000000000, -0.0044310700000000 ] - [ 0.0001766900000000, -0.0005085700000000, -0.0009404200000000 ] - [ -0.0007219800000000, -0.0004344100000000, -0.0005915100000000 ] - [ -0.0060481200000000, -0.0044630200000000, -0.0053170100000000 ] - [ 0.0023009300000000, 0.0021528500000000, 0.0067430800000000 ] - [ -0.0003103500000000, -0.0000866800000000, 0.0007236700000000 ] - [ 0.0182529100000000, -0.0194155300000000, 0.0277011500000000 ] - [ -0.0006279900000000, 0.0015716800000000, 0.0022151500000000 ] - [ -0.0004320000000000, -0.0002162700000000, 0.0003294900000000 ] - [ 0.0000793100000000, -0.0027172000000000, 0.0012290200000000 ] - [ -0.0021948700000000, -0.0012671600000000, -0.0044134900000000 ] - [ 0.0002730500000000, -0.0006048300000000, -0.0005873000000000 ] - [ -0.0004595800000000, -0.0023412700000000, -0.0068744600000000 ] - [ -0.0007368200000000, -0.0004246600000000, -0.0014418500000000 ] - [ -0.0001827200000000, -0.0003142100000000, -0.0003775400000000 ] - [ 0.0001975800000000, -0.0001096500000000, -0.0012609700000000 ] - [ 0.0190755700000000, 0.0194217400000000, 0.0277434200000000 ] - [ -0.0001363300000000, -0.0005311800000000, 0.0006461400000000 ] - [ 0.0024467900000000, -0.0027756400000000, 0.0066895700000000 ] - [ 0.0002128200000000, 0.0020930800000000, 0.0011406100000000 ] - [ -0.0002576500000000, -0.0004010300000000, 0.0002519600000000 ] - [ -0.0004871500000000, -0.0021922300000000, 0.0021486200000000 ] - [ -0.0003448800000000, 0.0017172800000000, -0.0069629300000000 ] - [ 0.0004450900000000, -0.0000130300000000, -0.0006661300000000 ] - [ -0.0020495900000000, 0.0006503900000000, -0.0044913900000000 ] - [ 0.0003309900000000, -0.0005007000000000, -0.0013536100000000 ] - [ -0.0000102500000000, -0.0003025500000000, -0.0004559200000000 ] - [ -0.0005932900000000, -0.0001898300000000, -0.0015152400000000 ] - [ 0.0035955500000000, 0.0080015200000000, 0.0035450800000000 ] - [ 0.0002822100000000, 0.0000701500000000, 0.0003901700000000 ] - [ -0.0034752500000000, 0.0033795100000000, 0.0000608000000000 ] - [ 0.0058017400000000, -0.0069113500000000, 0.0041831300000000 ] - [ 0.0004778900000000, -0.0004718700000000, 0.0005023000000000 ] - [ -0.0015864000000000, -0.0006673300000000, -0.0003447300000000 ] - [ -0.0015690300000000, -0.0022427800000000, -0.0044776700000000 ] - [ -0.0005584000000000, -0.0000178800000000, -0.0005628900000000 ] - [ 0.0030582800000000, -0.0054102200000000, -0.0033886300000000 ] - [ -0.0061759500000000, 0.0043394600000000, -0.0053718700000000 ] - [ -0.0008371500000000, 0.0003169100000000, -0.0006557100000000 ] - [ 0.0000515100000000, 0.0003704200000000, -0.0009950600000000 ] - [ -0.0234815000000000, 0.0123390900000000, 0.0492890300000000 ] - [ 0.0006682000000000, -0.0001073200000000, 0.0000529200000000 ] - [ -0.0045090000000000, -0.0016907900000000, 0.0009256300000000 ] - [ 0.0007725900000000, 0.0005668700000000, 0.0006595900000000 ] - [ -0.0001980600000000, -0.0000343800000000, 0.0002502900000000 ] - [ -0.0007609100000000, -0.0005180200000000, 0.0001032100000000 ] - [ -0.0024261500000000, -0.0002886000000000, -0.0095839700000000 ] - [ -0.0004113800000000, -0.0003603700000000, -0.0006970400000000 ] - [ 0.0050911400000000, 0.0026659300000000, -0.0038060800000000 ] - [ 0.0002039400000000, -0.0004652000000000, -0.0013727900000000 ] - [ -0.0001603400000000, -0.0004970700000000, -0.0005412300000000 ] - [ 0.0008511700000000, -0.0001918300000000, -0.0007103600000000 ] - [ 0.0000342800000000, -0.0022070100000000, 0.0016908300000000 ] - [ -0.0007325200000000, 0.0004570600000000, 0.0004905100000000 ] - [ -0.0022646100000000, 0.0010424000000000, 0.0026699400000000 ] - [ 0.0026170800000000, -0.0054600700000000, 0.0226725100000000 ] - [ -0.0008916800000000, 0.0007431500000000, 0.0009114900000000 ] - [ 0.0011584700000000, 0.0028602300000000, 0.0031726300000000 ] - [ 0.0004925300000000, 0.0009642100000000, -0.0020275500000000 ] - [ 0.0001724600000000, 0.0004009200000000, -0.0004634800000000 ] - [ 0.0002337200000000, 0.0002886900000000, -0.0012517800000000 ] - [ 0.0029412000000000, -0.0013452600000000, -0.0094855600000000 ] - [ 0.0006795600000000, -0.0001702900000000, -0.0008156500000000 ] - [ -0.0005828700000000, 0.0002172800000000, -0.0017390800000000 ]- atom: 49 displacement: [ 0.0099999975103145, 0.0000000000000000, -0.0000070564653367 ] forces: - [ -0.0011710600000000, 0.0008408500000000, 0.0002679600000000 ] - [ 0.0034012100000000, 0.0002348700000000, 0.0006644800000000 ] - [ -0.0022845400000000, 0.0004046400000000, 0.0005006700000000 ] - [ -0.0006461700000000, -0.0012127800000000, -0.0002874900000000 ] - [ 0.0030214700000000, 0.0005301900000000, 0.0025373400000000 ] - [ -0.0029611500000000, 0.0000630300000000, 0.0006499000000000 ] - [ -0.0057252300000000, 0.0055665800000000, -0.0021480700000000 ] - [ 0.0068864400000000, 0.0013956100000000, 0.0001490800000000 ] - [ -0.0031600700000000, -0.0002255800000000, -0.0008468200000000 ] - [ -0.0056336400000000, -0.0052738100000000, 0.0014792100000000 ] - [ 0.0167344600000000, -0.0050698900000000, -0.0053003300000000 ] - [ -0.0046668800000000, 0.0002187700000000, -0.0008122600000000 ] - [ 0.0036963200000000, 0.0002155100000000, 0.0014239700000000 ] - [ -0.0008007100000000, -0.0003563600000000, 0.0014974000000000 ] - [ -0.0026221100000000, 0.0005189900000000, -0.0002900900000000 ] - [ 0.0018211500000000, 0.0013959000000000, 0.0001361000000000 ] - [ 0.0001526700000000, 0.0021032500000000, 0.0009620000000000 ] - [ -0.0019082900000000, 0.0007721900000000, 0.0002055800000000 ] - [ 0.0467951500000000, -0.0271793000000000, -0.0222128200000000 ] - [ -0.0076439400000000, -0.0039928200000000, -0.0039499800000000 ] - [ -0.0047509500000000, 0.0007817300000000, 0.0002233100000000 ] - [ 0.0036909200000000, 0.0021067300000000, -0.0011152200000000 ] - [ -0.0015746100000000, 0.0049817200000000, 0.0002688500000000 ] - [ -0.0028690100000000, 0.0006874300000000, 0.0004846700000000 ] - [ 0.0050143800000000, 0.0039353100000000, -0.0064559500000000 ] - [ -0.0024322300000000, -0.0054245900000000, 0.0034547100000000 ] - [ -0.0031212400000000, 0.0002088700000000, -0.0005678600000000 ] - [ 0.0077122000000000, -0.0055311200000000, -0.0040400100000000 ] - [ -0.0070613400000000, 0.0067467700000000, 0.0057584300000000 ] - [ -0.0032470100000000, -0.0009451000000000, -0.0005830400000000 ] - [ 0.0038038800000000, 0.0025151700000000, 0.0064981400000000 ] - [ 0.0005453700000000, -0.0016665300000000, -0.0008497500000000 ] - [ -0.0029658600000000, -0.0001151600000000, 0.0009503000000000 ] - [ 0.0032796700000000, -0.0020742500000000, 0.0015187200000000 ] - [ -0.0023033400000000, 0.0002656700000000, -0.0043582700000000 ] - [ -0.0029196400000000, -0.0013018600000000, 0.0006697800000000 ] - [ -0.0061504800000000, -0.0015415600000000, -0.0046880200000000 ] - [ 0.0333019700000000, 0.0045647000000000, -0.0253777800000000 ] - [ -0.0034435900000000, -0.0006213600000000, 0.0004895000000000 ] - [ -0.0006329800000000, 0.0010016200000000, -0.0009121000000000 ] - [ 0.0028386600000000, 0.0016873900000000, 0.0006298200000000 ] - [ -0.0023366200000000, 0.0004744200000000, -0.0003706300000000 ] - [ -0.0033576400000000, -0.0002636400000000, 0.0048992600000000 ] - [ 0.0078215100000000, -0.0037627300000000, -0.0024963600000000 ] - [ -0.0026845500000000, -0.0002755600000000, -0.0005857600000000 ] - [ -0.0005687400000000, 0.0012068700000000, 0.0006959200000000 ] - [ 0.0023535000000000, 0.0015150400000000, 0.0000620300000000 ] - [ -0.0018282500000000, 0.0006087600000000, -0.0003274500000000 ] - [ -0.1438431700000000, 0.0617580800000000, 0.0628764400000000 ] - [ 0.0026385300000000, -0.0007444900000000, -0.0000387300000000 ] - [ 0.0026141100000000, -0.0006208300000000, -0.0003170800000000 ] - [ -0.0015746900000000, -0.0006818500000000, 0.0007862700000000 ] - [ 0.0011327000000000, -0.0010154100000000, -0.0000121800000000 ] - [ 0.0011141900000000, -0.0015570300000000, 0.0004224900000000 ] - [ -0.0017478100000000, 0.0012810600000000, -0.0004663400000000 ] - [ 0.0006275600000000, -0.0003229800000000, 0.0001359900000000 ] - [ 0.0006093000000000, -0.0003056200000000, -0.0001798700000000 ] - [ -0.0010415900000000, -0.0002141000000000, 0.0002685200000000 ] - [ 0.0005751400000000, -0.0007233700000000, 0.0000080500000000 ] - [ 0.0005570200000000, -0.0007125600000000, -0.0001104100000000 ] - [ -0.0019834000000000, -0.0007994300000000, 0.0012384900000000 ] - [ 0.0018241900000000, 0.0010189400000000, -0.0010839200000000 ] - [ 0.0008059700000000, 0.0002919100000000, 0.0000494400000000 ] - [ -0.0052854500000000, -0.0024140900000000, -0.0012953900000000 ] - [ 0.0023843600000000, 0.0011812100000000, -0.0014563300000000 ] - [ 0.0014577800000000, 0.0010653100000000, 0.0006139700000000 ] - [ -0.0020388500000000, -0.0013746100000000, 0.0003910200000000 ] - [ 0.0006467400000000, 0.0005098200000000, -0.0000088900000000 ] - [ 0.0016713200000000, -0.0000404300000000, -0.0010623500000000 ] - [ -0.0066048500000000, 0.0033703000000000, 0.0007195500000000 ] - [ 0.0020428200000000, 0.0004943800000000, 0.0001237000000000 ] - [ 0.0027867800000000, 0.0017462600000000, -0.0014389900000000 ] - [ -0.0066368100000000, -0.0067938800000000, 0.0017665400000000 ] - [ 0.0026369500000000, 0.0021654700000000, 0.0007683100000000 ] - [ 0.0025328700000000, 0.0002828800000000, 0.0008853400000000 ] - [ -0.0075340500000000, -0.0021215200000000, -0.0024844200000000 ] - [ 0.0023491900000000, -0.0006464300000000, 0.0012772700000000 ] - [ 0.0025626000000000, 0.0014881600000000, 0.0010155600000000 ] - [ -0.0019940800000000, -0.0004873600000000, -0.0021777300000000 ] - [ 0.0006112200000000, 0.0004365000000000, 0.0000492700000000 ] - [ 0.0008928800000000, 0.0001184100000000, 0.0000924700000000 ] - [ -0.0016424100000000, -0.0007308300000000, -0.0011110800000000 ] - [ 0.0010690700000000, -0.0002293300000000, 0.0008395200000000 ] - [ 0.0009073200000000, 0.0004571300000000, 0.0002135000000000 ] - [ -0.0049395800000000, 0.0016204400000000, -0.0008633000000000 ] - [ 0.0008894800000000, -0.0002012500000000, -0.0007196400000000 ] - [ 0.0016966400000000, -0.0007617500000000, 0.0011053900000000 ] - [ -0.0014015300000000, -0.0003446500000000, -0.0001838900000000 ] - [ 0.0016110200000000, -0.0027737900000000, -0.0010327200000000 ] - [ 0.0005378000000000, -0.0003931700000000, 0.0003905900000000 ] - [ -0.0075257200000000, -0.0003468700000000, -0.0072775600000000 ] - [ 0.0014123800000000, 0.0007040500000000, 0.0017754300000000 ] - [ 0.0022351000000000, -0.0010355000000000, -0.0000706900000000 ] - [ -0.0013750600000000, -0.0004557500000000, -0.0000531000000000 ] - [ 0.0014634800000000, -0.0013559300000000, 0.0008521900000000 ] - [ 0.0006575100000000, -0.0004526400000000, 0.0000434600000000 ] - [ 0.0078031200000000, -0.0070574200000000, 0.0085117600000000 ] - [ 0.0094714800000000, 0.0081872200000000, -0.0016073800000000 ] - [ 0.0018247200000000, 0.0000872600000000, 0.0005159100000000 ] - [ -0.0010959700000000, -0.0004568500000000, -0.0001443900000000 ] - [ -0.0007455900000000, -0.0028031000000000, -0.0002034300000000 ] - [ 0.0014404700000000, -0.0000401800000000, 0.0003440100000000 ] - [ -0.0005671000000000, -0.0002239900000000, -0.0021658500000000 ] - [ -0.0008383500000000, 0.0003868900000000, 0.0000200000000000 ] - [ 0.0013328200000000, 0.0000642400000000, 0.0001958600000000 ] - [ -0.0005426400000000, -0.0005193400000000, -0.0004248800000000 ] - [ -0.0005934400000000, -0.0011252500000000, 0.0001876700000000 ] - [ 0.0011189700000000, 0.0000301500000000, 0.0001226500000000 ] - [ -0.0004777800000000, -0.0001515600000000, 0.0010066000000000 ] - [ -0.0011760300000000, 0.0008981900000000, -0.0014302100000000 ] - [ 0.0013887400000000, -0.0005711500000000, 0.0005363900000000 ] - [ -0.0010811100000000, 0.0003570200000000, -0.0001073000000000 ] - [ -0.0009291700000000, -0.0007536100000000, -0.0020445900000000 ] - [ 0.0013160800000000, -0.0004619800000000, 0.0005050300000000 ] - [ 0.0091200500000000, -0.0173168900000000, -0.0083608700000000 ] - [ -0.0016381600000000, 0.0021149800000000, 0.0007747100000000 ] - [ 0.0017774900000000, -0.0009111200000000, 0.0004305700000000 ] - [ -0.0016871200000000, 0.0017721400000000, -0.0007784100000000 ] - [ 0.0102763400000000, -0.0062102100000000, 0.0057663800000000 ] - [ 0.0017253200000000, -0.0007498700000000, 0.0005733400000000 ] - [ -0.0005214000000000, 0.0002059200000000, 0.0016066800000000 ] - [ 0.0002324500000000, 0.0001060100000000, -0.0025443400000000 ] - [ 0.0016627500000000, 0.0005156900000000, -0.0006258600000000 ] - [ -0.0002063300000000, -0.0007318300000000, 0.0000474300000000 ] - [ -0.0008840700000000, -0.0010039000000000, -0.0004035100000000 ] - [ 0.0013237300000000, 0.0000714600000000, -0.0006282100000000 ] - [ 0.0089003000000000, 0.0059586700000000, -0.0068915400000000 ] - [ 0.0096123500000000, 0.0028640900000000, 0.0121425200000000 ] - [ 0.0022269100000000, 0.0008270300000000, -0.0005649800000000 ] - [ -0.0006033300000000, -0.0020996900000000, -0.0000398600000000 ] - [ -0.0014823400000000, -0.0018070600000000, 0.0001905900000000 ] - [ 0.0014983000000000, 0.0002878000000000, -0.0004700500000000 ] - [ -0.0000601800000000, -0.0015989800000000, 0.0010137500000000 ] - [ -0.0019607500000000, 0.0011685200000000, 0.0008551100000000 ] - [ 0.0013230700000000, -0.0001516400000000, -0.0004983700000000 ] - [ 0.0068406300000000, 0.0072811300000000, 0.0033076300000000 ] - [ 0.0234843600000000, -0.0182174800000000, -0.0099484500000000 ] - [ 0.0017551100000000, -0.0000173500000000, -0.0006312800000000 ] - [ 0.0006029600000000, -0.0006759100000000, -0.0011777800000000 ] - [ -0.0011343400000000, 0.0005466400000000, 0.0002928200000000 ] - [ 0.0010783400000000, -0.0000752000000000, -0.0006286400000000 ] - [ -0.0006927900000000, 0.0016113200000000, -0.0009974600000000 ] - [ -0.0012491300000000, 0.0002127000000000, 0.0011901400000000 ] - [ 0.0012462600000000, 0.0001290900000000, -0.0005851300000000 ]- atom: 49 displacement: [ -0.0099999975103145, 0.0000000000000000, 0.0000070564653367 ] forces: - [ 0.0011622300000000, -0.0005834600000000, -0.0002737400000000 ] - [ -0.0033809900000000, 0.0000289700000000, -0.0006786800000000 ] - [ 0.0022787900000000, -0.0001514300000000, -0.0004935100000000 ] - [ 0.0006366800000000, 0.0014749900000000, 0.0002819300000000 ] - [ -0.0029778300000000, -0.0002828500000000, -0.0025735900000000 ] - [ 0.0029546200000000, 0.0001937300000000, -0.0006381100000000 ] - [ 0.0057468900000000, -0.0053473900000000, 0.0021612000000000 ] - [ -0.0068639700000000, -0.0011350500000000, -0.0001437300000000 ] - [ 0.0031555000000000, 0.0004778900000000, 0.0008536300000000 ] - [ 0.0056471900000000, 0.0055677600000000, -0.0014665200000000 ] - [ -0.0164391700000000, 0.0046403100000000, 0.0056634600000000 ] - [ 0.0046590700000000, 0.0000387700000000, 0.0008152800000000 ] - [ -0.0037541700000000, 0.0012510400000000, -0.0014825700000000 ] - [ 0.0008131500000000, 0.0018344500000000, -0.0015031200000000 ] - [ 0.0026335000000000, 0.0009537900000000, 0.0002937300000000 ] - [ -0.0018395100000000, 0.0000659200000000, -0.0001412200000000 ] - [ -0.0001457000000000, -0.0006341900000000, -0.0009571300000000 ] - [ 0.0019167100000000, 0.0006988100000000, -0.0002039900000000 ] - [ -0.0483354900000000, 0.0305801300000000, 0.0237218600000000 ] - [ 0.0076605400000000, 0.0054578100000000, 0.0039604300000000 ] - [ 0.0047753500000000, 0.0006893900000000, -0.0002222100000000 ] - [ -0.0037302200000000, -0.0006555000000000, 0.0011328300000000 ] - [ 0.0015895100000000, -0.0035213800000000, -0.0002827200000000 ] - [ 0.0028832200000000, 0.0007835200000000, -0.0004870200000000 ] - [ -0.0051044000000000, -0.0049596500000000, 0.0065032400000000 ] - [ 0.0024374600000000, 0.0043838500000000, -0.0034531800000000 ] - [ 0.0031397700000000, -0.0012536200000000, 0.0005663000000000 ] - [ -0.0078146000000000, 0.0044299900000000, 0.0040267500000000 ] - [ 0.0070583200000000, -0.0077681500000000, -0.0057489200000000 ] - [ 0.0032617500000000, -0.0000924100000000, 0.0005811500000000 ] - [ -0.0038466600000000, -0.0035664000000000, -0.0065333600000000 ] - [ -0.0005409200000000, 0.0006207900000000, 0.0008508300000000 ] - [ 0.0029864200000000, -0.0009282500000000, -0.0009635200000000 ] - [ -0.0033235000000000, 0.0010343000000000, -0.0015130900000000 ] - [ 0.0023195000000000, -0.0013008700000000, 0.0043713000000000 ] - [ 0.0029381300000000, 0.0002684700000000, -0.0006824200000000 ] - [ 0.0061640000000000, 0.0016633000000000, 0.0047158200000000 ] - [ -0.0327301000000000, -0.0041979800000000, 0.0238708000000000 ] - [ 0.0034731200000000, 0.0007077300000000, -0.0005007000000000 ] - [ 0.0006254800000000, -0.0009062700000000, 0.0009156100000000 ] - [ -0.0028534500000000, -0.0016014600000000, -0.0006163400000000 ] - [ 0.0023656200000000, -0.0003843900000000, 0.0003573300000000 ] - [ 0.0033732700000000, 0.0003650300000000, -0.0049402000000000 ] - [ -0.0078312000000000, 0.0038746600000000, 0.0025220900000000 ] - [ 0.0027151900000000, 0.0003660200000000, 0.0005708100000000 ] - [ 0.0005632200000000, -0.0011157700000000, -0.0007002400000000 ] - [ -0.0023801300000000, -0.0014311700000000, -0.0000493500000000 ] - [ 0.0018613300000000, -0.0005226400000000, 0.0003161400000000 ] - [ 0.1439666200000000, -0.0635899700000000, -0.0627382000000000 ] - [ -0.0029362800000000, 0.0003960200000000, 0.0005265800000000 ] - [ -0.0029599000000000, 0.0002453700000000, 0.0008021300000000 ] - [ 0.0012789400000000, 0.0003003000000000, -0.0002974600000000 ] - [ -0.0014340600000000, 0.0006678600000000, 0.0005010200000000 ] - [ -0.0014532900000000, 0.0011922100000000, 0.0000606700000000 ] - [ 0.0014515000000000, -0.0016700400000000, 0.0009678500000000 ] - [ -0.0009266300000000, -0.0000276400000000, 0.0003495600000000 ] - [ -0.0009443900000000, -0.0000693400000000, 0.0006671300000000 ] - [ 0.0007450500000000, -0.0001675300000000, 0.0002229400000000 ] - [ -0.0008741200000000, 0.0003753300000000, 0.0004770400000000 ] - [ -0.0008920200000000, 0.0003401100000000, 0.0005961000000000 ] - [ 0.0022295700000000, 0.0015162100000000, -0.0011690000000000 ] - [ -0.0015430700000000, -0.0002940600000000, 0.0011546500000000 ] - [ -0.0005337500000000, 0.0004450400000000, 0.0000449100000000 ] - [ 0.0055115700000000, 0.0031775400000000, 0.0014353200000000 ] - [ -0.0021012900000000, -0.0004534200000000, 0.0015232800000000 ] - [ -0.0011865800000000, -0.0003315400000000, -0.0005212700000000 ] - [ 0.0022900000000000, 0.0021032900000000, -0.0003210300000000 ] - [ -0.0003673900000000, 0.0002158000000000, 0.0000805100000000 ] - [ -0.0014060700000000, 0.0007810800000000, 0.0011656500000000 ] - [ 0.0068607000000000, -0.0026196200000000, -0.0006900800000000 ] - [ -0.0017641700000000, 0.0002269700000000, -0.0000492900000000 ] - [ -0.0025288600000000, -0.0010223100000000, 0.0015410500000000 ] - [ 0.0068233900000000, 0.0066043100000000, -0.0017367400000000 ] - [ -0.0025256100000000, -0.0022850400000000, -0.0007032200000000 ] - [ -0.0024385600000000, -0.0004245400000000, -0.0008311100000000 ] - [ 0.0076713400000000, 0.0020698700000000, 0.0025245600000000 ] - [ -0.0022347400000000, 0.0005245300000000, -0.0012061900000000 ] - [ -0.0024660700000000, -0.0016365200000000, -0.0009618700000000 ] - [ 0.0021299300000000, 0.0003411000000000, 0.0022577600000000 ] - [ -0.0004987100000000, -0.0005561800000000, 0.0000162900000000 ] - [ -0.0007859300000000, -0.0002579800000000, -0.0000324000000000 ] - [ 0.0017772600000000, 0.0005981100000000, 0.0011730700000000 ] - [ -0.0009587000000000, 0.0001125200000000, -0.0007798700000000 ] - [ -0.0008003700000000, -0.0005991300000000, -0.0001534300000000 ] - [ 0.0048488000000000, -0.0022951600000000, 0.0010150200000000 ] - [ -0.0010661800000000, -0.0004160000000000, 0.0007968400000000 ] - [ -0.0018358000000000, 0.0001514700000000, -0.0010193400000000 ] - [ 0.0012614100000000, -0.0002638100000000, 0.0002595700000000 ] - [ -0.0017803000000000, 0.0021448800000000, 0.0011053600000000 ] - [ -0.0006702300000000, -0.0002184100000000, -0.0002992300000000 ] - [ 0.0074661200000000, -0.0003031300000000, 0.0073649000000000 ] - [ -0.0015876900000000, -0.0013214900000000, -0.0016980200000000 ] - [ -0.0023814200000000, 0.0004287000000000, 0.0001649600000000 ] - [ 0.0012372500000000, -0.0001575700000000, 0.0001228900000000 ] - [ -0.0016463000000000, 0.0007435400000000, -0.0007759400000000 ] - [ -0.0007910000000000, -0.0001598900000000, 0.0000495900000000 ] - [ -0.0077519200000000, 0.0065268400000000, -0.0086958300000000 ] - [ -0.0092432600000000, -0.0087361300000000, 0.0014987600000000 ] - [ -0.0016870600000000, -0.0007052100000000, -0.0005884800000000 ] - [ 0.0012421700000000, -0.0001476800000000, 0.0000527700000000 ] - [ 0.0009124800000000, 0.0021802000000000, 0.0001292100000000 ] - [ -0.0013007300000000, -0.0005778600000000, -0.0004150100000000 ] - [ 0.0007147400000000, -0.0003895400000000, 0.0020972700000000 ] - [ 0.0010140300000000, -0.0010035800000000, -0.0000919300000000 ] - [ -0.0011946100000000, -0.0006833800000000, -0.0002666600000000 ] - [ 0.0006826700000000, -0.0000887600000000, 0.0003346800000000 ] - [ 0.0007645900000000, 0.0005099100000000, -0.0002709600000000 ] - [ -0.0009805000000000, -0.0006491700000000, -0.0001940500000000 ] - [ 0.0003948400000000, 0.0000031900000000, -0.0010616500000000 ] - [ 0.0010541100000000, -0.0010170900000000, 0.0013637600000000 ] - [ -0.0015204000000000, 0.0004343100000000, -0.0005961700000000 ] - [ 0.0009893400000000, -0.0004982000000000, 0.0000549200000000 ] - [ 0.0008012500000000, 0.0006410300000000, 0.0019684300000000 ] - [ -0.0014459400000000, 0.0003234300000000, -0.0005642900000000 ] - [ -0.0093304600000000, 0.0173263700000000, 0.0083794700000000 ] - [ 0.0015189800000000, -0.0022315400000000, -0.0008433800000000 ] - [ -0.0019115600000000, 0.0007760100000000, -0.0004893600000000 ] - [ 0.0015963300000000, -0.0019240300000000, 0.0007238500000000 ] - [ -0.0104161900000000, 0.0061356900000000, -0.0058809400000000 ] - [ -0.0018559400000000, 0.0006102900000000, -0.0006312700000000 ] - [ 0.0008760100000000, -0.0005763500000000, -0.0021013500000000 ] - [ 0.0000386600000000, -0.0004546100000000, 0.0020806300000000 ] - [ -0.0013683300000000, -0.0009012400000000, 0.0001339900000000 ] - [ 0.0005491100000000, 0.0003634200000000, -0.0005348000000000 ] - [ 0.0011776800000000, 0.0006538400000000, -0.0000816600000000 ] - [ -0.0010284600000000, -0.0004556100000000, 0.0001369000000000 ] - [ -0.0086497100000000, -0.0063761500000000, 0.0064637400000000 ] - [ -0.0092324200000000, -0.0032090800000000, -0.0124842100000000 ] - [ -0.0019353600000000, -0.0012135300000000, 0.0000761400000000 ] - [ 0.0009514200000000, 0.0017418600000000, -0.0004492100000000 ] - [ 0.0017784000000000, 0.0014591500000000, -0.0006762400000000 ] - [ -0.0012054900000000, -0.0006714800000000, -0.0000197000000000 ] - [ -0.0001969900000000, 0.0023408800000000, -0.0011226900000000 ] - [ 0.0016764000000000, -0.0004417600000000, -0.0009257200000000 ] - [ -0.0015704800000000, 0.0008743700000000, 0.0004275000000000 ] - [ -0.0071670400000000, -0.0066225200000000, -0.0034558200000000 ] - [ -0.0234212500000000, 0.0186560900000000, 0.0097212500000000 ] - [ -0.0020005500000000, 0.0007370100000000, 0.0005595300000000 ] - [ -0.0008739200000000, 0.0014160200000000, 0.0010862800000000 ] - [ 0.0008509800000000, 0.0001801900000000, -0.0003629500000000 ] - [ -0.0013251500000000, 0.0007986800000000, 0.0005573000000000 ] - [ 0.0004307200000000, -0.0008861100000000, 0.0009066700000000 ] - [ 0.0009585500000000, 0.0005067100000000, -0.0012494100000000 ] - [ -0.0014932100000000, 0.0005921300000000, 0.0005138600000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0014931000000000, -0.0015342300000000, 0.0002388400000000 ] - [ -0.0021684500000000, -0.0020033300000000, 0.0007387600000000 ] - [ 0.0005718200000000, -0.0006074700000000, 0.0002466100000000 ] - [ -0.0005195000000000, 0.0018588900000000, -0.0004727600000000 ] - [ 0.0003895700000000, 0.0012375400000000, -0.0023917300000000 ] - [ 0.0016540500000000, 0.0009197500000000, -0.0001100100000000 ] - [ 0.0045670900000000, -0.0045843800000000, 0.0007013200000000 ] - [ -0.0073949700000000, -0.0078905600000000, -0.0036836500000000 ] - [ 0.0006398500000000, -0.0010421500000000, -0.0000511900000000 ] - [ -0.0007186300000000, 0.0040652600000000, 0.0028952800000000 ] - [ 0.0049561500000000, 0.0196303400000000, 0.0034988500000000 ] - [ 0.0025179500000000, 0.0011876300000000, 0.0001378200000000 ] - [ 0.0001178100000000, 0.0043851500000000, 0.0025067000000000 ] - [ 0.0000591900000000, 0.0026728200000000, 0.0000908000000000 ] - [ 0.0011907700000000, 0.0014816100000000, 0.0002580600000000 ] - [ -0.0010189700000000, -0.0016779900000000, -0.0004249000000000 ] - [ 0.0001695800000000, -0.0012005800000000, -0.0000151500000000 ] - [ 0.0007497500000000, 0.0000600300000000, -0.0001247000000000 ] - [ -0.0341290800000000, 0.0420995400000000, 0.0210687800000000 ] - [ -0.0008959800000000, 0.0056813100000000, -0.0029688100000000 ] - [ 0.0021137400000000, 0.0015768000000000, -0.0000750800000000 ] - [ -0.0056020400000000, -0.0072583900000000, 0.0033829900000000 ] - [ 0.0029716500000000, -0.0054542100000000, -0.0021519000000000 ] - [ 0.0010628300000000, -0.0000118600000000, -0.0001666600000000 ] - [ 0.0028217400000000, -0.0074929800000000, 0.0074421700000000 ] - [ -0.0025214800000000, -0.0023975700000000, 0.0016002100000000 ] - [ 0.0016694800000000, -0.0010209900000000, 0.0003576900000000 ] - [ -0.0105414300000000, -0.0068118200000000, -0.0106499800000000 ] - [ 0.0049669900000000, -0.0041727600000000, -0.0035662700000000 ] - [ 0.0006714100000000, -0.0003553000000000, 0.0001137100000000 ] - [ -0.0005553200000000, -0.0039968400000000, -0.0050478100000000 ] - [ -0.0011238800000000, -0.0007390800000000, -0.0006337800000000 ] - [ 0.0015166800000000, -0.0008726700000000, -0.0004498400000000 ] - [ -0.0048755800000000, -0.0015751600000000, 0.0023261000000000 ] - [ 0.0040521400000000, 0.0005313400000000, 0.0058756500000000 ] - [ 0.0010746400000000, -0.0000687400000000, -0.0002404000000000 ] - [ 0.0026837500000000, 0.0055434100000000, 0.0015179400000000 ] - [ 0.0044980300000000, 0.0200887500000000, -0.0129224200000000 ] - [ 0.0008732100000000, 0.0013991200000000, -0.0000685300000000 ] - [ -0.0001509400000000, -0.0026162600000000, 0.0003277200000000 ] - [ -0.0005892000000000, -0.0044696600000000, -0.0007419400000000 ] - [ 0.0010898300000000, -0.0011408900000000, -0.0001363200000000 ] - [ 0.0023360500000000, 0.0016130800000000, -0.0028462100000000 ] - [ -0.0029636900000000, 0.0075974100000000, 0.0001016800000000 ] - [ 0.0009784600000000, 0.0012107200000000, 0.0001863400000000 ] - [ -0.0001779000000000, -0.0017278000000000, -0.0000034100000000 ] - [ -0.0010547200000000, -0.0034626700000000, 0.0002687000000000 ] - [ 0.0012314300000000, -0.0013180500000000, 0.0003243300000000 ] - [ 0.0627917500000000, -0.1262402100000000, -0.0044437300000000 ] - [ -0.0005848000000000, -0.0012370100000000, 0.0001659800000000 ] - [ -0.0007392500000000, -0.0012516300000000, 0.0001741900000000 ] - [ -0.0006354900000000, 0.0043275300000000, 0.0002693400000000 ] - [ -0.0015172400000000, 0.0012859300000000, 0.0008636900000000 ] - [ -0.0010114400000000, 0.0012776500000000, 0.0001156800000000 ] - [ 0.0013271100000000, -0.0028373300000000, 0.0000883500000000 ] - [ -0.0002676200000000, -0.0007067000000000, 0.0001563400000000 ] - [ -0.0003162600000000, -0.0007185400000000, 0.0005024300000000 ] - [ -0.0001712200000000, 0.0009937800000000, 0.0001877100000000 ] - [ -0.0006744300000000, 0.0006492400000000, 0.0002229800000000 ] - [ -0.0007176200000000, 0.0006385300000000, 0.0003172900000000 ] - [ 0.0018806600000000, 0.0027329000000000, -0.0012012000000000 ] - [ 0.0007269000000000, 0.0012271400000000, -0.0002188500000000 ] - [ -0.0003526100000000, 0.0006757800000000, 0.0000607100000000 ] - [ -0.0007284800000000, 0.0006645900000000, 0.0094022800000000 ] - [ -0.0012132700000000, -0.0006010200000000, 0.0007930200000000 ] - [ 0.0001248600000000, -0.0000956400000000, 0.0002494900000000 ] - [ 0.0012569000000000, 0.0027804600000000, 0.0008281000000000 ] - [ 0.0002311100000000, 0.0009981800000000, 0.0001346000000000 ] - [ -0.0006342900000000, 0.0009897700000000, 0.0007508700000000 ] - [ 0.0038719300000000, 0.0000208100000000, -0.0114433400000000 ] - [ -0.0013239900000000, -0.0006897000000000, 0.0002222800000000 ] - [ -0.0007825400000000, -0.0008147800000000, 0.0001633400000000 ] - [ 0.0011745500000000, 0.0203243600000000, -0.0013493600000000 ] - [ 0.0008919300000000, 0.0001351100000000, 0.0006965100000000 ] - [ -0.0015645200000000, -0.0003646700000000, -0.0003943200000000 ] - [ 0.0073742000000000, 0.0212223100000000, 0.0009792700000000 ] - [ -0.0018364700000000, -0.0000078100000000, -0.0003881100000000 ] - [ -0.0003731900000000, -0.0003775500000000, -0.0004334800000000 ] - [ 0.0011935800000000, 0.0005443200000000, 0.0008814400000000 ] - [ 0.0001646600000000, -0.0002286300000000, 0.0002310700000000 ] - [ -0.0005474900000000, -0.0002426300000000, -0.0000725200000000 ] - [ 0.0007727500000000, 0.0006502500000000, -0.0000784800000000 ] - [ -0.0011631400000000, 0.0002004300000000, -0.0013078400000000 ] - [ -0.0001206500000000, -0.0001802200000000, 0.0000003800000000 ] - [ -0.0007925600000000, 0.0002644500000000, -0.0062836300000000 ] - [ 0.0003454800000000, -0.0009398800000000, -0.0003972100000000 ] - [ -0.0012252300000000, -0.0003519100000000, -0.0006556900000000 ] - [ 0.0000262800000000, 0.0014611800000000, 0.0013890100000000 ] - [ -0.0013098900000000, 0.0013384400000000, 0.0006035600000000 ] - [ -0.0000440200000000, -0.0000163700000000, 0.0000868700000000 ] - [ 0.0033465400000000, 0.0002672200000000, 0.0094152400000000 ] - [ 0.0000947300000000, -0.0008509000000000, 0.0002218700000000 ] - [ -0.0013797400000000, -0.0001896200000000, 0.0000790000000000 ] - [ 0.0003657600000000, 0.0012638200000000, -0.0009415800000000 ] - [ -0.0023140900000000, 0.0012672400000000, -0.0008922800000000 ] - [ -0.0001804300000000, -0.0000334500000000, 0.0000384300000000 ] - [ -0.0075186100000000, 0.0017798400000000, -0.0067808400000000 ] - [ 0.0068223600000000, 0.0007968800000000, -0.0007048000000000 ] - [ -0.0005692600000000, -0.0006702400000000, -0.0002179400000000 ] - [ 0.0022999500000000, 0.0017403400000000, 0.0004677200000000 ] - [ 0.0000740900000000, 0.0016403100000000, 0.0006750900000000 ] - [ -0.0004958600000000, -0.0002117800000000, -0.0002009000000000 ] - [ -0.0005464600000000, -0.0007444800000000, 0.0007633900000000 ] - [ 0.0007540900000000, -0.0010292100000000, 0.0002462900000000 ] - [ -0.0004525000000000, -0.0005983000000000, -0.0000944400000000 ] - [ 0.0009843800000000, 0.0007533200000000, -0.0001641000000000 ] - [ 0.0003208200000000, 0.0008288100000000, -0.0008752900000000 ] - [ -0.0005194800000000, -0.0003302500000000, -0.0002232100000000 ] - [ -0.0018320900000000, 0.0004132100000000, -0.0023605400000000 ] - [ 0.0006118000000000, -0.0002920800000000, -0.0005150900000000 ] - [ -0.0006761500000000, 0.0001231000000000, -0.0003892800000000 ] - [ 0.0016470800000000, 0.0001756100000000, 0.0019058500000000 ] - [ -0.0001915100000000, 0.0006334900000000, 0.0009742000000000 ] - [ -0.0005973100000000, 0.0001496800000000, -0.0001556400000000 ] - [ -0.0056823800000000, 0.0122297400000000, 0.0046174200000000 ] - [ 0.0018108300000000, -0.0007880800000000, 0.0010856000000000 ] - [ -0.0007847500000000, 0.0002213400000000, -0.0002132200000000 ] - [ 0.0019644800000000, -0.0010011500000000, -0.0002430500000000 ] - [ -0.0176107800000000, 0.0116515100000000, -0.0103351300000000 ] - [ -0.0008173300000000, 0.0002148300000000, -0.0002498900000000 ] - [ -0.0002180000000000, -0.0020090300000000, -0.0005542000000000 ] - [ -0.0001390600000000, -0.0021657800000000, 0.0002177900000000 ] - [ -0.0005610200000000, -0.0009064500000000, -0.0001365300000000 ] - [ 0.0007159300000000, 0.0011170900000000, -0.0004655800000000 ] - [ 0.0009770800000000, 0.0012372700000000, -0.0003212900000000 ] - [ -0.0001166800000000, 0.0001174500000000, -0.0001576100000000 ] - [ -0.0060157400000000, -0.0097636300000000, 0.0036180200000000 ] - [ -0.0029226500000000, -0.0073335800000000, -0.0025382800000000 ] - [ -0.0008727600000000, -0.0010335400000000, -0.0000637500000000 ] - [ 0.0020773100000000, 0.0028680100000000, -0.0011185300000000 ] - [ 0.0017831300000000, 0.0029041700000000, -0.0001448800000000 ] - [ -0.0003312100000000, 0.0001622300000000, -0.0000166800000000 ] - [ -0.0018683800000000, 0.0033814500000000, -0.0002676100000000 ] - [ 0.0008632000000000, 0.0018807900000000, -0.0009285400000000 ] - [ -0.0007727200000000, 0.0009040500000000, 0.0001755000000000 ] - [ 0.0059564900000000, -0.0017378500000000, -0.0002700100000000 ] - [ -0.0174494700000000, 0.0040121200000000, 0.0092770100000000 ] - [ -0.0007708800000000, 0.0001731600000000, 0.0002337800000000 ] - [ -0.0011576200000000, 0.0018390700000000, 0.0007241500000000 ] - [ 0.0003942500000000, 0.0008978500000000, -0.0002660000000000 ] - [ -0.0006550700000000, 0.0007990000000000, 0.0001459400000000 ] - [ 0.0008473100000000, -0.0011876600000000, 0.0002194800000000 ] - [ -0.0001806300000000, -0.0006500900000000, -0.0006136400000000 ] - [ -0.0007048900000000, 0.0002461800000000, 0.0001859900000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0014957400000000, 0.0017957200000000, -0.0002386300000000 ] - [ 0.0021808200000000, 0.0022765900000000, -0.0007495800000000 ] - [ -0.0005802000000000, 0.0008650600000000, -0.0002432300000000 ] - [ 0.0005194900000000, -0.0016083900000000, 0.0004615500000000 ] - [ -0.0003547200000000, -0.0009989400000000, 0.0023377400000000 ] - [ -0.0016650700000000, -0.0006707200000000, 0.0001140700000000 ] - [ -0.0045709000000000, 0.0048585700000000, -0.0007107700000000 ] - [ 0.0073587100000000, 0.0081520200000000, 0.0036551600000000 ] - [ -0.0006488500000000, 0.0013057000000000, 0.0000600400000000 ] - [ 0.0007277700000000, -0.0038079100000000, -0.0028552300000000 ] - [ -0.0040072700000000, -0.0207668000000000, -0.0025808300000000 ] - [ -0.0025297700000000, -0.0009402400000000, -0.0001297200000000 ] - [ -0.0001527800000000, -0.0029126500000000, -0.0025486800000000 ] - [ -0.0000467600000000, -0.0011946100000000, -0.0000992000000000 ] - [ -0.0011808600000000, -0.0000082200000000, -0.0002576900000000 ] - [ 0.0010101100000000, 0.0031466600000000, 0.0004232500000000 ] - [ -0.0001706900000000, 0.0026718700000000, 0.0000071900000000 ] - [ -0.0007398300000000, 0.0014135800000000, 0.0001244800000000 ] - [ 0.0324071100000000, -0.0396700000000000, -0.0198477600000000 ] - [ 0.0009367000000000, -0.0041906300000000, 0.0029856900000000 ] - [ -0.0021016900000000, -0.0001044200000000, 0.0000774600000000 ] - [ 0.0056549400000000, 0.0087813700000000, -0.0034214400000000 ] - [ -0.0030014700000000, 0.0069473300000000, 0.0021753700000000 ] - [ -0.0010512800000000, 0.0014830600000000, 0.0001678200000000 ] - [ -0.0028344700000000, 0.0064924800000000, -0.0073783300000000 ] - [ 0.0025340700000000, 0.0013885000000000, -0.0016105300000000 ] - [ -0.0016554500000000, -0.0000156300000000, -0.0003647500000000 ] - [ 0.0105712600000000, 0.0057129200000000, 0.0107648000000000 ] - [ -0.0049552200000000, 0.0031099800000000, 0.0035653400000000 ] - [ -0.0006599900000000, -0.0006880800000000, -0.0001193100000000 ] - [ 0.0005570000000000, 0.0029642700000000, 0.0050584300000000 ] - [ 0.0011226800000000, -0.0002924700000000, 0.0006309300000000 ] - [ -0.0015031200000000, -0.0001653000000000, 0.0004426400000000 ] - [ 0.0048778500000000, 0.0005496100000000, -0.0023517600000000 ] - [ -0.0040714100000000, -0.0016006500000000, -0.0059136000000000 ] - [ -0.0010594000000000, -0.0009716600000000, 0.0002313400000000 ] - [ -0.0027067400000000, -0.0054298300000000, -0.0015188500000000 ] - [ -0.0044326800000000, -0.0201988700000000, 0.0128652800000000 ] - [ -0.0008405300000000, -0.0013189800000000, 0.0000551300000000 ] - [ 0.0001566300000000, 0.0027187500000000, -0.0003233100000000 ] - [ 0.0005535900000000, 0.0045668500000000, 0.0007777700000000 ] - [ -0.0010637300000000, 0.0012300400000000, 0.0001286400000000 ] - [ -0.0023248600000000, -0.0015221900000000, 0.0028300400000000 ] - [ 0.0029154700000000, -0.0075210700000000, -0.0000646100000000 ] - [ -0.0009483400000000, -0.0011278500000000, -0.0001991300000000 ] - [ 0.0001827400000000, 0.0018301400000000, -0.0000023100000000 ] - [ 0.0010256000000000, 0.0035615700000000, -0.0002703800000000 ] - [ -0.0012078600000000, 0.0014133800000000, -0.0003399300000000 ] - [ -0.0625503200000000, 0.1266114100000000, 0.0027586600000000 ] - [ 0.0002817100000000, 0.0008930400000000, 0.0003216100000000 ] - [ 0.0004015700000000, 0.0008784800000000, 0.0003073500000000 ] - [ 0.0003477000000000, -0.0047227000000000, 0.0002143000000000 ] - [ 0.0012315800000000, -0.0016433000000000, -0.0003835600000000 ] - [ 0.0006724100000000, -0.0016514600000000, 0.0003715600000000 ] - [ -0.0016235100000000, 0.0024554400000000, 0.0004172900000000 ] - [ -0.0000307700000000, 0.0003587300000000, 0.0003297400000000 ] - [ -0.0000210700000000, 0.0003467200000000, -0.0000155200000000 ] - [ -0.0001244100000000, -0.0013802600000000, 0.0003060000000000 ] - [ 0.0003787800000000, -0.0010011500000000, 0.0002644900000000 ] - [ 0.0003812700000000, -0.0010119900000000, 0.0001672000000000 ] - [ -0.0016366000000000, -0.0020206300000000, 0.0012663000000000 ] - [ -0.0004520200000000, -0.0005080100000000, 0.0002932600000000 ] - [ 0.0006213500000000, 0.0000583000000000, 0.0000354800000000 ] - [ 0.0009869200000000, 0.0001462800000000, -0.0093017100000000 ] - [ 0.0014918500000000, 0.0013279100000000, -0.0007210400000000 ] - [ 0.0001486200000000, 0.0008330000000000, -0.0001500800000000 ] - [ -0.0010166200000000, -0.0020621900000000, -0.0007453500000000 ] - [ 0.0000503100000000, -0.0002774000000000, -0.0000639700000000 ] - [ 0.0009031800000000, -0.0002575700000000, -0.0006530700000000 ] - [ -0.0036482400000000, 0.0007208300000000, 0.0116234300000000 ] - [ 0.0016062500000000, 0.0014241500000000, -0.0001531300000000 ] - [ 0.0010483700000000, 0.0015476400000000, -0.0000672000000000 ] - [ -0.0010611900000000, -0.0201781400000000, 0.0013990100000000 ] - [ -0.0007867300000000, -0.0002614200000000, -0.0006340500000000 ] - [ 0.0016677900000000, 0.0002233100000000, 0.0004519400000000 ] - [ -0.0073531100000000, -0.0217659700000000, -0.0009341500000000 ] - [ 0.0019561600000000, -0.0001013600000000, 0.0004464500000000 ] - [ 0.0004747600000000, 0.0002369500000000, 0.0004878600000000 ] - [ -0.0010646400000000, -0.0006878600000000, -0.0008170000000000 ] - [ -0.0000514700000000, 0.0001076200000000, -0.0001644900000000 ] - [ 0.0006524800000000, 0.0001020100000000, 0.0001301100000000 ] - [ -0.0006349000000000, -0.0007811100000000, 0.0001521800000000 ] - [ 0.0012840600000000, -0.0003160400000000, 0.0013810400000000 ] - [ 0.0002262000000000, 0.0000404200000000, 0.0000589000000000 ] - [ 0.0006764800000000, -0.0009207700000000, 0.0063668100000000 ] - [ -0.0005223600000000, 0.0003213000000000, 0.0004780200000000 ] - [ 0.0010913700000000, -0.0002599800000000, 0.0007469400000000 ] - [ -0.0001668400000000, -0.0020720800000000, -0.0013311200000000 ] - [ 0.0011374100000000, -0.0019521200000000, -0.0005235400000000 ] - [ -0.0000923100000000, -0.0005928400000000, 0.0000046400000000 ] - [ -0.0034727500000000, -0.0008838800000000, -0.0093161000000000 ] - [ -0.0002727400000000, 0.0002280600000000, -0.0001503200000000 ] - [ 0.0012425100000000, -0.0004197200000000, 0.0000129100000000 ] - [ -0.0005062800000000, -0.0018840800000000, 0.0010273900000000 ] - [ 0.0021549600000000, -0.0018895400000000, 0.0009777100000000 ] - [ 0.0000429600000000, -0.0005775400000000, 0.0000534100000000 ] - [ 0.0076254900000000, -0.0024043600000000, 0.0066573300000000 ] - [ -0.0066615000000000, -0.0014461100000000, 0.0006190600000000 ] - [ 0.0007075200000000, 0.0000513500000000, 0.0001466900000000 ] - [ -0.0021815800000000, -0.0023481300000000, -0.0005740500000000 ] - [ 0.0001042200000000, -0.0022507100000000, -0.0007638300000000 ] - [ 0.0006367100000000, -0.0004048200000000, 0.0001291700000000 ] - [ 0.0006850300000000, 0.0001336100000000, -0.0008470100000000 ] - [ -0.0005821400000000, 0.0004077600000000, -0.0003250000000000 ] - [ 0.0005915100000000, -0.0000203400000000, 0.0000225600000000 ] - [ -0.0008521700000000, -0.0013677200000000, 0.0000770800000000 ] - [ -0.0001460000000000, -0.0014472100000000, 0.0008053400000000 ] - [ 0.0006615200000000, -0.0002869600000000, 0.0001530100000000 ] - [ 0.0017345800000000, -0.0005617000000000, 0.0022987900000000 ] - [ -0.0007275900000000, 0.0001681300000000, 0.0004550300000000 ] - [ 0.0005462700000000, -0.0002605000000000, 0.0003317600000000 ] - [ -0.0017545400000000, -0.0003141100000000, -0.0019674300000000 ] - [ 0.0000698700000000, -0.0007414700000000, -0.0010397100000000 ] - [ 0.0004672300000000, -0.0002858900000000, 0.0000982400000000 ] - [ 0.0056103400000000, -0.0124028800000000, -0.0047115700000000 ] - [ -0.0019165800000000, 0.0006518800000000, -0.0011512100000000 ] - [ 0.0006546700000000, -0.0003594700000000, 0.0001549400000000 ] - [ -0.0020830300000000, 0.0008652000000000, 0.0001872700000000 ] - [ 0.0176792100000000, -0.0119203400000000, 0.0103629500000000 ] - [ 0.0006874200000000, -0.0003514700000000, 0.0001912300000000 ] - [ 0.0005642900000000, 0.0016382900000000, 0.0000737500000000 ] - [ 0.0004202200000000, 0.0018182400000000, -0.0006889800000000 ] - [ 0.0008553200000000, 0.0005230600000000, -0.0003532200000000 ] - [ -0.0003793200000000, -0.0014913200000000, -0.0000225700000000 ] - [ -0.0006810300000000, -0.0015888800000000, -0.0001655300000000 ] - [ 0.0004096900000000, -0.0005024400000000, -0.0003317800000000 ] - [ 0.0063136700000000, 0.0093070100000000, -0.0040891700000000 ] - [ 0.0031536900000000, 0.0070160700000000, 0.0019884100000000 ] - [ 0.0011673200000000, 0.0006506000000000, -0.0004268200000000 ] - [ -0.0017636000000000, -0.0032629700000000, 0.0006482200000000 ] - [ -0.0014835300000000, -0.0032572800000000, -0.0003372800000000 ] - [ 0.0006273700000000, -0.0005480300000000, -0.0004751200000000 ] - [ 0.0015941400000000, -0.0026496900000000, 0.0001681600000000 ] - [ -0.0011322100000000, -0.0011651100000000, 0.0008479500000000 ] - [ 0.0005287000000000, -0.0001845100000000, -0.0002479500000000 ] - [ -0.0061946300000000, 0.0025137200000000, 0.0001715800000000 ] - [ 0.0172647500000000, -0.0031854000000000, -0.0094381600000000 ] - [ 0.0005251800000000, 0.0005498600000000, -0.0003063400000000 ] - [ 0.0008878100000000, -0.0011078000000000, -0.0008224200000000 ] - [ -0.0006741300000000, -0.0001767800000000, 0.0001969500000000 ] - [ 0.0004107100000000, -0.0000778800000000, -0.0002181700000000 ] - [ -0.0011223600000000, 0.0019256900000000, -0.0003065300000000 ] - [ -0.0001079500000000, 0.0013849100000000, 0.0005551800000000 ] - [ 0.0004584900000000, 0.0004764500000000, -0.0002579800000000 ]- atom: 49 displacement: [ -0.0000724750264154, 0.0000000000000000, 0.0099997373650784 ] forces: - [ -0.0003627600000000, 0.0006549300000000, -0.0014957900000000 ] - [ 0.0000050200000000, 0.0015324600000000, -0.0024481400000000 ] - [ 0.0007468200000000, 0.0001135600000000, -0.0006235200000000 ] - [ -0.0008825800000000, 0.0001160800000000, -0.0021110900000000 ] - [ 0.0039779600000000, -0.0011283800000000, -0.0102693100000000 ] - [ 0.0006846000000000, -0.0001222400000000, -0.0009267600000000 ] - [ 0.0033062400000000, -0.0028063500000000, 0.0031164300000000 ] - [ -0.0021176000000000, -0.0008448800000000, 0.0021429500000000 ] - [ 0.0007987100000000, 0.0004817600000000, 0.0007089000000000 ] - [ 0.0022130600000000, 0.0024605800000000, 0.0040484100000000 ] - [ -0.0035256100000000, -0.0075923300000000, 0.0197798100000000 ] - [ 0.0006659900000000, 0.0002359600000000, 0.0012451500000000 ] - [ -0.0050415600000000, 0.0003842700000000, -0.0098706300000000 ] - [ 0.0014890600000000, 0.0016192300000000, -0.0029499800000000 ] - [ 0.0003752700000000, 0.0008422000000000, -0.0004343900000000 ] - [ -0.0008626200000000, -0.0002108200000000, -0.0020863100000000 ] - [ 0.0006168200000000, 0.0002358200000000, -0.0016806900000000 ] - [ 0.0003257400000000, 0.0006881000000000, -0.0004249200000000 ] - [ -0.0275912600000000, 0.0222740800000000, 0.0294292800000000 ] - [ -0.0013000200000000, -0.0026820200000000, 0.0085525000000000 ] - [ 0.0012979500000000, 0.0008611000000000, 0.0006519500000000 ] - [ -0.0005676900000000, 0.0011739300000000, 0.0021665900000000 ] - [ -0.0013925600000000, 0.0018835900000000, 0.0026469200000000 ] - [ 0.0006516000000000, 0.0006537500000000, 0.0002887700000000 ] - [ -0.0045761400000000, 0.0046095600000000, 0.0060383500000000 ] - [ 0.0026461600000000, 0.0030452000000000, -0.0015855600000000 ] - [ 0.0005805700000000, -0.0005633300000000, 0.0005733300000000 ] - [ -0.0087181300000000, -0.0118637300000000, 0.0033545100000000 ] - [ 0.0046346600000000, -0.0045344200000000, -0.0016203700000000 ] - [ 0.0002694800000000, -0.0006157800000000, 0.0004354900000000 ] - [ -0.0002432400000000, -0.0041022200000000, -0.0066478900000000 ] - [ -0.0006726200000000, -0.0010132500000000, -0.0006078100000000 ] - [ 0.0010989300000000, -0.0006809500000000, -0.0007533500000000 ] - [ 0.0037572200000000, 0.0049589900000000, -0.0055086000000000 ] - [ -0.0017191300000000, -0.0002787900000000, -0.0031227000000000 ] - [ 0.0007357800000000, -0.0002273400000000, -0.0005744400000000 ] - [ -0.0014586300000000, 0.0013168000000000, 0.0011899000000000 ] - [ -0.0237530000000000, -0.0109825800000000, 0.0495299300000000 ] - [ 0.0013067900000000, 0.0001018600000000, 0.0002947700000000 ] - [ -0.0004424200000000, -0.0003250500000000, 0.0003506100000000 ] - [ -0.0000463400000000, -0.0003752300000000, 0.0009009700000000 ] - [ 0.0007356200000000, -0.0000410800000000, 0.0004956800000000 ] - [ 0.0024350500000000, -0.0001049400000000, -0.0035774300000000 ] - [ -0.0044999800000000, -0.0007941900000000, -0.0093162500000000 ] - [ 0.0000808700000000, -0.0001214600000000, -0.0004567500000000 ] - [ 0.0005753400000000, -0.0004127700000000, -0.0004618900000000 ] - [ -0.0007068200000000, 0.0003474700000000, -0.0011281900000000 ] - [ 0.0001126200000000, 0.0002859100000000, -0.0003020400000000 ] - [ 0.0626388400000000, -0.0048020900000000, -0.1336751400000000 ] - [ -0.0007303700000000, -0.0002382800000000, -0.0005454900000000 ] - [ -0.0004716000000000, -0.0002621500000000, -0.0005438500000000 ] - [ 0.0004038100000000, -0.0001603900000000, -0.0006907000000000 ] - [ 0.0000214800000000, -0.0002955600000000, -0.0002085700000000 ] - [ -0.0004350100000000, 0.0004472000000000, -0.0002115800000000 ] - [ -0.0008473200000000, -0.0003662100000000, 0.0045758600000000 ] - [ -0.0005751600000000, 0.0000837200000000, 0.0008568300000000 ] - [ -0.0002829200000000, -0.0002716300000000, 0.0008594400000000 ] - [ -0.0001171100000000, -0.0002514500000000, 0.0009999100000000 ] - [ -0.0005057000000000, -0.0000958100000000, 0.0006969500000000 ] - [ -0.0004092400000000, -0.0002023700000000, 0.0006974800000000 ] - [ 0.0000386200000000, -0.0006568700000000, -0.0002172900000000 ] - [ -0.0009315800000000, -0.0002212900000000, 0.0006030500000000 ] - [ 0.0001389700000000, 0.0003905800000000, 0.0000080300000000 ] - [ 0.0007090300000000, 0.0127658500000000, 0.0177373400000000 ] - [ -0.0010310800000000, 0.0000736000000000, 0.0006389300000000 ] - [ 0.0003959100000000, 0.0005191900000000, 0.0000929700000000 ] - [ 0.0011252400000000, 0.0014522000000000, -0.0001570300000000 ] - [ 0.0002144400000000, 0.0003279900000000, -0.0000311300000000 ] - [ -0.0006320200000000, 0.0005804600000000, 0.0005318900000000 ] - [ 0.0001095400000000, -0.0097234600000000, 0.0154346100000000 ] - [ 0.0010124600000000, 0.0003473200000000, -0.0000660400000000 ] - [ -0.0009658400000000, -0.0005994800000000, 0.0002240100000000 ] - [ 0.0019520800000000, 0.0021486700000000, -0.0052922300000000 ] - [ -0.0013894100000000, -0.0005513200000000, -0.0014309500000000 ] - [ -0.0007616100000000, -0.0003930600000000, -0.0006869600000000 ] - [ -0.0016727500000000, 0.0002161800000000, -0.0059906400000000 ] - [ -0.0008079400000000, 0.0004815900000000, -0.0014348400000000 ] - [ -0.0005457600000000, -0.0003726900000000, -0.0006600800000000 ] - [ 0.0010818400000000, -0.0007504400000000, 0.0040084400000000 ] - [ -0.0000298800000000, -0.0003975600000000, 0.0006609100000000 ] - [ 0.0000008700000000, -0.0000936700000000, 0.0003791000000000 ] - [ 0.0016036200000000, 0.0005223900000000, 0.0033602100000000 ] - [ 0.0003150100000000, -0.0003383600000000, 0.0010590500000000 ] - [ 0.0001627000000000, -0.0000449900000000, 0.0004100200000000 ] - [ 0.0066416200000000, -0.0091507700000000, 0.0107970500000000 ] - [ -0.0008025900000000, -0.0002277600000000, 0.0004374100000000 ] - [ -0.0000330400000000, -0.0003669500000000, -0.0001588200000000 ] - [ 0.0001681600000000, 0.0012919800000000, 0.0002398000000000 ] - [ -0.0008763400000000, 0.0007435800000000, 0.0004297600000000 ] - [ 0.0000021700000000, -0.0002078400000000, -0.0000054000000000 ] - [ 0.0001938600000000, 0.0048171300000000, 0.0085746900000000 ] - [ -0.0000227800000000, -0.0001612200000000, -0.0002924200000000 ] - [ -0.0012948200000000, 0.0000538200000000, 0.0001420400000000 ] - [ -0.0000525600000000, -0.0014059200000000, -0.0001846700000000 ] - [ 0.0005577700000000, -0.0007959800000000, 0.0001676400000000 ] - [ -0.0003903100000000, -0.0002629100000000, 0.0000382900000000 ] - [ 0.0007683100000000, -0.0015453100000000, -0.0068553100000000 ] - [ -0.0082805000000000, -0.0055097400000000, -0.0030678500000000 ] - [ -0.0004356400000000, -0.0003539900000000, -0.0003751500000000 ] - [ 0.0005776900000000, 0.0008607400000000, -0.0011953300000000 ] - [ 0.0000620100000000, 0.0007745300000000, -0.0010572200000000 ] - [ -0.0002592600000000, -0.0002849300000000, -0.0002903300000000 ] - [ 0.0006930900000000, -0.0008581800000000, 0.0031058300000000 ] - [ 0.0011239400000000, -0.0000482300000000, 0.0015848000000000 ] - [ -0.0001834400000000, -0.0004489900000000, 0.0001543800000000 ] - [ -0.0000388000000000, -0.0011565000000000, 0.0012065500000000 ] - [ 0.0002669000000000, -0.0005762600000000, 0.0009109200000000 ] - [ -0.0000105800000000, -0.0004367400000000, 0.0001540500000000 ] - [ 0.0020848200000000, -0.0013202500000000, 0.0006522700000000 ] - [ -0.0004120200000000, -0.0006891800000000, 0.0009755700000000 ] - [ -0.0004237300000000, 0.0000139100000000, -0.0001162200000000 ] - [ 0.0012570700000000, 0.0004407800000000, 0.0012116300000000 ] - [ -0.0010913000000000, 0.0012507400000000, 0.0007492900000000 ] - [ -0.0003305100000000, 0.0000443700000000, -0.0000267200000000 ] - [ -0.0062818500000000, 0.0113081600000000, 0.0061894000000000 ] - [ 0.0007451500000000, 0.0002111200000000, -0.0007304500000000 ] - [ -0.0005542100000000, 0.0001637500000000, -0.0002720400000000 ] - [ -0.0005810300000000, -0.0010811400000000, -0.0009529000000000 ] - [ 0.0073398600000000, -0.0044001700000000, 0.0050791600000000 ] - [ -0.0003624900000000, 0.0000223600000000, -0.0002602500000000 ] - [ 0.0020200700000000, 0.0001219300000000, -0.0000157800000000 ] - [ -0.0021683700000000, -0.0006229700000000, 0.0022748000000000 ] - [ -0.0002438200000000, -0.0003062400000000, -0.0000073800000000 ] - [ 0.0004607500000000, 0.0000387900000000, -0.0000479600000000 ] - [ -0.0000035000000000, -0.0000901300000000, 0.0001515500000000 ] - [ -0.0002445300000000, -0.0002809900000000, -0.0000342000000000 ] - [ -0.0065760100000000, -0.0040810700000000, 0.0035366100000000 ] - [ 0.0124315900000000, 0.0020698500000000, 0.0027036500000000 ] - [ -0.0001884000000000, -0.0003814800000000, -0.0003751700000000 ] - [ 0.0003808800000000, 0.0007102900000000, -0.0006248500000000 ] - [ 0.0005939800000000, -0.0002585100000000, -0.0005882300000000 ] - [ -0.0000874600000000, -0.0004242400000000, -0.0003932500000000 ] - [ 0.0010526600000000, 0.0000783400000000, -0.0016186400000000 ] - [ 0.0006091500000000, -0.0002859900000000, -0.0008838100000000 ] - [ -0.0003932100000000, 0.0004228700000000, -0.0000966800000000 ] - [ 0.0044396200000000, 0.0005799300000000, -0.0030628000000000 ] - [ -0.0118803500000000, 0.0116709100000000, -0.0048936300000000 ] - [ -0.0004057200000000, 0.0004470600000000, -0.0001770200000000 ] - [ -0.0011962400000000, 0.0011081500000000, 0.0014697500000000 ] - [ -0.0001715800000000, 0.0003062200000000, 0.0005471500000000 ] - [ -0.0005512100000000, 0.0004819700000000, 0.0003200400000000 ] - [ -0.0009627900000000, 0.0002878600000000, 0.0018529500000000 ] - [ -0.0006813100000000, -0.0004366100000000, 0.0037033200000000 ] - [ -0.0004242000000000, 0.0004151700000000, 0.0003511600000000 ]- atom: 49 displacement: [ 0.0000724750264154, 0.0000000000000000, -0.0099997373650784 ] forces: - [ 0.0003703300000000, -0.0004041700000000, 0.0014978300000000 ] - [ -0.0000053200000000, -0.0012897400000000, 0.0024459800000000 ] - [ -0.0007571500000000, 0.0001370300000000, 0.0006265600000000 ] - [ 0.0008994900000000, 0.0001443100000000, 0.0021079600000000 ] - [ -0.0040163500000000, 0.0013896600000000, 0.0103019900000000 ] - [ -0.0006950300000000, 0.0003763400000000, 0.0009308500000000 ] - [ -0.0033135400000000, 0.0030634000000000, -0.0031259500000000 ] - [ 0.0021417700000000, 0.0011102400000000, -0.0021336400000000 ] - [ -0.0008078000000000, -0.0002300100000000, -0.0007012100000000 ] - [ -0.0022173300000000, -0.0022063700000000, -0.0040268600000000 ] - [ 0.0038723500000000, 0.0073815000000000, -0.0197697700000000 ] - [ -0.0006719300000000, 0.0000192700000000, -0.0012365900000000 ] - [ 0.0050616600000000, 0.0010867900000000, 0.0099070600000000 ] - [ -0.0014992600000000, -0.0001467200000000, 0.0029486800000000 ] - [ -0.0003609500000000, 0.0006314900000000, 0.0004343300000000 ] - [ 0.0008586400000000, 0.0016955500000000, 0.0020827400000000 ] - [ -0.0006262800000000, 0.0012396700000000, 0.0016784900000000 ] - [ -0.0003122900000000, 0.0007855800000000, 0.0004239500000000 ] - [ 0.0267612400000000, -0.0199939700000000, -0.0294457000000000 ] - [ 0.0013185900000000, 0.0041631400000000, -0.0085419300000000 ] - [ -0.0012878300000000, 0.0006129200000000, -0.0006501300000000 ] - [ 0.0005385100000000, 0.0002871800000000, -0.0021484200000000 ] - [ 0.0013977600000000, -0.0004222600000000, -0.0026513100000000 ] - [ -0.0006407300000000, 0.0008178500000000, -0.0002875600000000 ] - [ 0.0045703700000000, -0.0056767700000000, -0.0060837900000000 ] - [ -0.0026445800000000, -0.0040818900000000, 0.0015724900000000 ] - [ -0.0005652000000000, -0.0004760700000000, -0.0005852300000000 ] - [ 0.0087530500000000, 0.0108683500000000, -0.0034361500000000 ] - [ -0.0046244200000000, 0.0034728100000000, 0.0015907300000000 ] - [ -0.0002559800000000, -0.0004233600000000, -0.0004469700000000 ] - [ 0.0002509400000000, 0.0030449000000000, 0.0066701300000000 ] - [ 0.0006708700000000, -0.0000304700000000, 0.0006155400000000 ] - [ -0.0010845900000000, -0.0003592500000000, 0.0007501600000000 ] - [ -0.0037367600000000, -0.0059609600000000, 0.0055141900000000 ] - [ 0.0017182400000000, -0.0007541400000000, 0.0031484600000000 ] - [ -0.0007191700000000, -0.0008110300000000, 0.0005701900000000 ] - [ 0.0014622100000000, -0.0012096700000000, -0.0012066200000000 ] - [ 0.0261286400000000, 0.0119213600000000, -0.0526444300000000 ] - [ -0.0012770600000000, -0.0000131500000000, -0.0003099300000000 ] - [ 0.0004434700000000, 0.0004215500000000, -0.0003559300000000 ] - [ 0.0000156500000000, 0.0004603900000000, -0.0009019500000000 ] - [ -0.0007054100000000, 0.0001269100000000, -0.0005083300000000 ] - [ -0.0024264600000000, 0.0002025800000000, 0.0035829100000000 ] - [ 0.0044317400000000, 0.0008771400000000, 0.0093310400000000 ] - [ -0.0000553300000000, 0.0002112600000000, 0.0004457500000000 ] - [ -0.0005733300000000, 0.0005128200000000, 0.0004691900000000 ] - [ 0.0006755400000000, -0.0002570600000000, 0.0011476600000000 ] - [ -0.0000833600000000, -0.0002024700000000, 0.0002913500000000 ] - [ -0.0648717100000000, 0.0033009600000000, 0.1372672900000000 ] - [ 0.0004304100000000, -0.0001136600000000, 0.0010299900000000 ] - [ 0.0001357800000000, -0.0001130800000000, 0.0010274000000000 ] - [ -0.0006988300000000, -0.0002229900000000, 0.0011826800000000 ] - [ -0.0003206400000000, -0.0000524500000000, 0.0006953100000000 ] - [ 0.0000977100000000, -0.0008205300000000, 0.0006988000000000 ] - [ 0.0005580400000000, -0.0000164600000000, -0.0040927300000000 ] - [ 0.0002825200000000, -0.0004369100000000, -0.0003733800000000 ] - [ -0.0000588100000000, -0.0001001900000000, -0.0003751600000000 ] - [ -0.0001762600000000, -0.0001342200000000, -0.0005127300000000 ] - [ 0.0002112600000000, -0.0002544400000000, -0.0002131200000000 ] - [ 0.0000696500000000, -0.0001686800000000, -0.0002138500000000 ] - [ 0.0002083500000000, 0.0013854900000000, 0.0002944300000000 ] - [ 0.0012100800000000, 0.0009459900000000, -0.0005285600000000 ] - [ 0.0001277300000000, 0.0003442500000000, 0.0000913400000000 ] - [ -0.0004971400000000, -0.0122715100000000, -0.0179507500000000 ] - [ 0.0013082300000000, 0.0006476600000000, -0.0005635300000000 ] - [ -0.0001283600000000, 0.0002136500000000, 0.0000107400000000 ] - [ -0.0008781000000000, -0.0007277300000000, 0.0002219400000000 ] - [ 0.0000676600000000, 0.0003977700000000, 0.0000999100000000 ] - [ 0.0009027500000000, 0.0001551600000000, -0.0004362300000000 ] - [ 0.0001369500000000, 0.0102884800000000, -0.0151353200000000 ] - [ -0.0007313600000000, 0.0003760500000000, 0.0001349500000000 ] - [ 0.0012335600000000, 0.0013319200000000, -0.0001301600000000 ] - [ -0.0018027700000000, -0.0023473500000000, 0.0053605600000000 ] - [ 0.0015059800000000, 0.0004339000000000, 0.0014964000000000 ] - [ 0.0008668900000000, 0.0002537700000000, 0.0007459500000000 ] - [ 0.0018197400000000, -0.0002563500000000, 0.0060512400000000 ] - [ 0.0009185700000000, -0.0005978800000000, 0.0014986900000000 ] - [ 0.0006517700000000, 0.0002333600000000, 0.0007179900000000 ] - [ -0.0009514500000000, 0.0006223100000000, -0.0039605600000000 ] - [ 0.0001478300000000, 0.0002831900000000, -0.0005970600000000 ] - [ 0.0001012600000000, -0.0000467200000000, -0.0003241400000000 ] - [ -0.0014798000000000, -0.0006725600000000, -0.0033042700000000 ] - [ -0.0001981200000000, 0.0002224100000000, -0.0009954800000000 ] - [ -0.0000625200000000, -0.0000979100000000, -0.0003548300000000 ] - [ -0.0068535200000000, 0.0086717100000000, -0.0108592000000000 ] - [ 0.0006297000000000, -0.0003894300000000, -0.0003537300000000 ] - [ -0.0001043100000000, -0.0002431500000000, 0.0002519300000000 ] - [ -0.0003067100000000, -0.0019192500000000, -0.0001598700000000 ] - [ 0.0007004100000000, -0.0013516300000000, -0.0003432700000000 ] - [ -0.0001381800000000, -0.0004024500000000, 0.0000990300000000 ] - [ -0.0003519000000000, -0.0053694800000000, -0.0084399900000000 ] - [ -0.0001504300000000, -0.0004572800000000, 0.0003681700000000 ] - [ 0.0011580700000000, -0.0006643700000000, -0.0000524500000000 ] - [ -0.0000860000000000, 0.0007814700000000, 0.0002453000000000 ] - [ -0.0007351500000000, 0.0001813400000000, -0.0000946100000000 ] - [ 0.0002542300000000, -0.0003490900000000, 0.0000512500000000 ] - [ -0.0006455700000000, 0.0009253000000000, 0.0067500300000000 ] - [ 0.0084818700000000, 0.0049094400000000, 0.0030385700000000 ] - [ 0.0005753200000000, -0.0002648800000000, 0.0003049300000000 ] - [ -0.0004431700000000, -0.0014731600000000, 0.0011091100000000 ] - [ 0.0001121900000000, -0.0013879500000000, 0.0009816900000000 ] - [ 0.0003986900000000, -0.0003326100000000, 0.0002195500000000 ] - [ -0.0005667200000000, 0.0002513200000000, -0.0032081900000000 ] - [ -0.0009451100000000, -0.0005669700000000, -0.0016654400000000 ] - [ 0.0003230300000000, -0.0001690500000000, -0.0002278500000000 ] - [ 0.0001681000000000, 0.0005367700000000, -0.0012988800000000 ] - [ -0.0000910800000000, -0.0000416100000000, -0.0009923300000000 ] - [ 0.0001491700000000, -0.0001813200000000, -0.0002275900000000 ] - [ -0.0022033900000000, 0.0011918300000000, -0.0007103400000000 ] - [ 0.0003034800000000, 0.0005736500000000, -0.0010368600000000 ] - [ 0.0002934100000000, -0.0001496100000000, 0.0000592400000000 ] - [ -0.0013696200000000, -0.0005835400000000, -0.0012689200000000 ] - [ 0.0009926700000000, -0.0013757000000000, -0.0008025600000000 ] - [ 0.0002003400000000, -0.0001808400000000, -0.0000301600000000 ] - [ 0.0061918000000000, -0.0114914700000000, -0.0062327500000000 ] - [ -0.0008638000000000, -0.0003288500000000, 0.0006605500000000 ] - [ 0.0004234600000000, -0.0003008200000000, 0.0002124800000000 ] - [ 0.0004708400000000, 0.0009366400000000, 0.0008792600000000 ] - [ -0.0075029300000000, 0.0043175800000000, -0.0051353100000000 ] - [ 0.0002314000000000, -0.0001598900000000, 0.0002004400000000 ] - [ -0.0016984700000000, -0.0005006100000000, -0.0004635700000000 ] - [ 0.0024541100000000, 0.0002879800000000, -0.0027189100000000 ] - [ 0.0005371500000000, -0.0000795400000000, -0.0004823800000000 ] - [ -0.0001275700000000, -0.0004128600000000, -0.0004350000000000 ] - [ 0.0003022700000000, -0.0002583800000000, -0.0006356600000000 ] - [ 0.0005370200000000, -0.0001033800000000, -0.0004547700000000 ] - [ 0.0069000400000000, 0.0037144500000000, -0.0040201100000000 ] - [ -0.0120625400000000, -0.0024136100000000, -0.0032033300000000 ] - [ 0.0004827300000000, -0.0000039600000000, -0.0001164500000000 ] - [ -0.0000396500000000, -0.0010849300000000, 0.0001347100000000 ] - [ -0.0002964600000000, -0.0000907000000000, 0.0000988800000000 ] - [ 0.0003823400000000, 0.0000406200000000, -0.0000978900000000 ] - [ -0.0013264900000000, 0.0006594000000000, 0.0015282300000000 ] - [ -0.0008909000000000, 0.0010096100000000, 0.0008151100000000 ] - [ 0.0001474000000000, 0.0002986200000000, 0.0000255000000000 ] - [ -0.0046808700000000, 0.0001762600000000, 0.0029997000000000 ] - [ 0.0116020000000000, -0.0109610700000000, 0.0049301700000000 ] - [ 0.0001600900000000, 0.0002734200000000, 0.0001056100000000 ] - [ 0.0009216100000000, -0.0003696700000000, -0.0015672800000000 ] - [ -0.0001069100000000, 0.0004192700000000, -0.0006230700000000 ] - [ 0.0003071000000000, 0.0002395000000000, -0.0003936600000000 ] - [ 0.0006850600000000, 0.0004492500000000, -0.0019488700000000 ] - [ 0.0004174300000000, 0.0011652300000000, -0.0037954700000000 ] - [ 0.0001784700000000, 0.0003053100000000, -0.0004242800000000 ]- atom: 61 displacement: [ 0.0099999975103145, 0.0000000000000000, -0.0000070564653367 ] forces: - [ -0.0073139000000000, 0.0011809800000000, -0.0061624400000000 ] - [ 0.0327991300000000, -0.0089055600000000, -0.0219824900000000 ] - [ -0.0046575100000000, 0.0008450000000000, 0.0000649900000000 ] - [ -0.0009133500000000, -0.0007347500000000, -0.0008337100000000 ] - [ 0.0034950500000000, -0.0013770400000000, 0.0001258700000000 ] - [ -0.0029276000000000, -0.0004164000000000, -0.0006150900000000 ] - [ -0.0039272000000000, 0.0004188900000000, 0.0056881100000000 ] - [ 0.0096851300000000, 0.0045833400000000, -0.0022193200000000 ] - [ -0.0035244700000000, 0.0002040500000000, -0.0002774000000000 ] - [ -0.0006896500000000, -0.0011407900000000, 0.0010199400000000 ] - [ 0.0028874700000000, -0.0010159900000000, 0.0004356400000000 ] - [ -0.0021013000000000, -0.0000571900000000, -0.0000595800000000 ] - [ 0.0051586300000000, -0.0026556200000000, -0.0067164600000000 ] - [ -0.0023851400000000, 0.0056136600000000, 0.0020116200000000 ] - [ -0.0030698200000000, -0.0001089700000000, -0.0005433000000000 ] - [ 0.0075063600000000, 0.0068640900000000, -0.0053343600000000 ] - [ -0.0072738100000000, -0.0074388400000000, 0.0040221700000000 ] - [ -0.0033717400000000, 0.0013341700000000, -0.0002204400000000 ] - [ 0.0035900700000000, -0.0019604400000000, 0.0064472600000000 ] - [ 0.0003579200000000, 0.0022404000000000, -0.0002364600000000 ] - [ -0.0029748100000000, 0.0005396600000000, 0.0009308600000000 ] - [ 0.0034065100000000, 0.0014685200000000, 0.0018055700000000 ] - [ -0.0010900100000000, -0.0008393600000000, -0.0012969200000000 ] - [ -0.0026942300000000, 0.0013276900000000, 0.0005667600000000 ] - [ 0.0372349400000000, 0.0190729900000000, -0.0164921900000000 ] - [ -0.0074019000000000, 0.0044046800000000, -0.0038671100000000 ] - [ -0.0045973800000000, -0.0006205200000000, 0.0002548000000000 ] - [ 0.0030552400000000, -0.0014986800000000, -0.0012834100000000 ] - [ -0.0003864200000000, -0.0027337500000000, -0.0009917200000000 ] - [ -0.0023548900000000, -0.0004156800000000, 0.0001301300000000 ] - [ 0.0049071200000000, 0.0003969700000000, 0.0017629700000000 ] - [ -0.0037350700000000, 0.0031989000000000, 0.0033378800000000 ] - [ -0.0030376100000000, -0.0005405300000000, -0.0002293400000000 ] - [ 0.0018578300000000, -0.0010957700000000, 0.0000414900000000 ] - [ 0.0000101200000000, -0.0020496600000000, 0.0015596800000000 ] - [ -0.0018868800000000, -0.0005114800000000, 0.0003001400000000 ] - [ -0.0042521600000000, -0.0044131900000000, -0.0021690100000000 ] - [ 0.0053710000000000, -0.0008693700000000, 0.0002211700000000 ] - [ -0.0022500400000000, 0.0004817600000000, -0.0006158300000000 ] - [ -0.0053097700000000, 0.0048138300000000, 0.0012446700000000 ] - [ 0.0254883500000000, 0.0130229300000000, 0.0030452700000000 ] - [ -0.0032576300000000, -0.0002396500000000, -0.0007836800000000 ] - [ -0.0007875800000000, -0.0004296200000000, 0.0003470400000000 ] - [ 0.0027112700000000, 0.0005428500000000, 0.0006562600000000 ] - [ -0.0019104700000000, 0.0000816900000000, 0.0002950300000000 ] - [ -0.0001568100000000, 0.0011173600000000, -0.0004633800000000 ] - [ 0.0039850100000000, -0.0027588800000000, 0.0031197900000000 ] - [ -0.0025984800000000, -0.0003425900000000, 0.0007980400000000 ] - [ -0.0022513800000000, 0.0015632900000000, 0.0001428500000000 ] - [ 0.0005202200000000, -0.0006624800000000, 0.0002543400000000 ] - [ 0.0015124600000000, 0.0003989500000000, -0.0008129600000000 ] - [ -0.0055346500000000, -0.0010747500000000, 0.0007380900000000 ] - [ 0.0011702400000000, -0.0001858700000000, 0.0005156700000000 ] - [ 0.0020692400000000, -0.0015345200000000, -0.0009076100000000 ] - [ -0.0023084500000000, 0.0009397400000000, 0.0012299500000000 ] - [ 0.0013929800000000, -0.0009464500000000, -0.0005163200000000 ] - [ 0.0003398000000000, -0.0000987800000000, 0.0003191900000000 ] - [ -0.0068952200000000, 0.0035656600000000, 0.0002107600000000 ] - [ 0.0025096100000000, -0.0010914300000000, -0.0008395300000000 ] - [ 0.0017341000000000, -0.0016476200000000, 0.0011255000000000 ] - [ -0.1362471000000000, -0.0557732300000000, 0.0578609800000000 ] - [ 0.0028494700000000, 0.0006452500000000, -0.0003463400000000 ] - [ 0.0028401500000000, 0.0010702500000000, -0.0004788500000000 ] - [ -0.0012262300000000, 0.0010818100000000, 0.0009506000000000 ] - [ 0.0008747000000000, 0.0007083500000000, -0.0000959500000000 ] - [ 0.0008723400000000, 0.0008803900000000, 0.0000504500000000 ] - [ -0.0021838500000000, -0.0006403600000000, 0.0001452000000000 ] - [ 0.0015810600000000, 0.0006663700000000, -0.0008475300000000 ] - [ 0.0015751300000000, 0.0002203300000000, -0.0011919900000000 ] - [ -0.0007458800000000, 0.0005103300000000, 0.0002502600000000 ] - [ 0.0008709800000000, 0.0006223300000000, -0.0005513900000000 ] - [ 0.0008676600000000, 0.0007553900000000, -0.0004557600000000 ] - [ -0.0081065000000000, -0.0007079600000000, -0.0087550500000000 ] - [ 0.0017767400000000, -0.0007531600000000, 0.0019272500000000 ] - [ 0.0022422900000000, 0.0006572600000000, 0.0001185600000000 ] - [ -0.0012315200000000, -0.0001925900000000, -0.0003849200000000 ] - [ 0.0009483600000000, 0.0005854300000000, 0.0005214100000000 ] - [ 0.0009355600000000, 0.0002287800000000, 0.0002195600000000 ] - [ -0.0092140800000000, -0.0050943000000000, -0.0018938400000000 ] - [ 0.0016299300000000, -0.0001863900000000, -0.0000565100000000 ] - [ 0.0023848200000000, 0.0011114000000000, 0.0014273600000000 ] - [ -0.0014467200000000, -0.0004402700000000, -0.0002371300000000 ] - [ 0.0020266500000000, 0.0029715600000000, -0.0011077800000000 ] - [ 0.0009255600000000, 0.0001482100000000, 0.0004722500000000 ] - [ -0.0064905000000000, 0.0061920700000000, 0.0026610400000000 ] - [ 0.0018097600000000, -0.0019200100000000, 0.0004819600000000 ] - [ 0.0021822300000000, -0.0001490400000000, 0.0007866400000000 ] - [ -0.0057272800000000, -0.0000436000000000, -0.0009249000000000 ] - [ 0.0014697200000000, 0.0006813900000000, 0.0014518900000000 ] - [ 0.0015717300000000, -0.0013142200000000, 0.0003287600000000 ] - [ -0.0018779100000000, -0.0004637200000000, -0.0020452000000000 ] - [ 0.0008602200000000, -0.0013217100000000, -0.0003454500000000 ] - [ 0.0006574400000000, -0.0003601000000000, 0.0000447300000000 ] - [ -0.0014931200000000, 0.0002467900000000, -0.0007909200000000 ] - [ 0.0004091000000000, -0.0000256900000000, -0.0000150400000000 ] - [ 0.0005962600000000, -0.0007450800000000, 0.0001516900000000 ] - [ 0.0090693000000000, 0.0151308700000000, -0.0078680400000000 ] - [ -0.0014433400000000, -0.0022016100000000, 0.0006723300000000 ] - [ 0.0015752400000000, 0.0001434800000000, 0.0002232700000000 ] - [ -0.0012525200000000, -0.0019840700000000, -0.0008758100000000 ] - [ 0.0008085600000000, 0.0014405200000000, 0.0013653700000000 ] - [ 0.0013082300000000, -0.0000146600000000, 0.0003147300000000 ] - [ -0.0005294500000000, -0.0004702400000000, 0.0009327900000000 ] - [ -0.0007329900000000, -0.0017233400000000, -0.0009259400000000 ] - [ 0.0014049700000000, 0.0000005200000000, 0.0003248300000000 ] - [ -0.0008304900000000, -0.0007564900000000, 0.0001364400000000 ] - [ -0.0003255700000000, 0.0014262900000000, -0.0016332400000000 ] - [ 0.0013575300000000, -0.0000467700000000, 0.0002807900000000 ] - [ 0.0080689100000000, 0.0054664700000000, 0.0097786000000000 ] - [ 0.0088939100000000, -0.0085592700000000, 0.0003382500000000 ] - [ 0.0021068300000000, -0.0008255100000000, 0.0009099100000000 ] - [ -0.0011943000000000, 0.0000873900000000, -0.0000739500000000 ] - [ -0.0011016800000000, 0.0024456700000000, 0.0001695100000000 ] - [ 0.0014294400000000, -0.0006395500000000, 0.0005065200000000 ] - [ -0.0010791900000000, -0.0002842000000000, -0.0023555100000000 ] - [ -0.0008848600000000, -0.0006805200000000, -0.0006099100000000 ] - [ 0.0015450800000000, -0.0007174000000000, 0.0004204200000000 ] - [ -0.0008703800000000, 0.0003662800000000, -0.0005196300000000 ] - [ -0.0009586000000000, 0.0007496900000000, -0.0004468000000000 ] - [ 0.0009921400000000, -0.0005467500000000, 0.0001486000000000 ] - [ 0.0002386700000000, 0.0015382700000000, 0.0009468000000000 ] - [ -0.0016742500000000, -0.0011771500000000, 0.0004961700000000 ] - [ 0.0015934000000000, 0.0004573200000000, -0.0005049800000000 ] - [ 0.0071465200000000, -0.0062244400000000, 0.0043430000000000 ] - [ 0.0237512000000000, 0.0173124300000000, -0.0119031700000000 ] - [ 0.0020248300000000, 0.0004565900000000, -0.0005143500000000 ] - [ 0.0009067700000000, 0.0008335300000000, -0.0012961100000000 ] - [ -0.0008453600000000, -0.0007114300000000, -0.0002832100000000 ] - [ 0.0013481500000000, 0.0003395000000000, -0.0006654800000000 ] - [ -0.0003867400000000, -0.0011642300000000, -0.0010711700000000 ] - [ -0.0009611600000000, -0.0001391800000000, -0.0008010000000000 ] - [ 0.0015167600000000, 0.0003901500000000, -0.0005370400000000 ] - [ 0.0090924100000000, -0.0042938300000000, -0.0073733800000000 ] - [ 0.0063653500000000, -0.0029295400000000, 0.0116611200000000 ] - [ 0.0017442600000000, -0.0002569000000000, -0.0005740900000000 ] - [ -0.0006908300000000, 0.0024098700000000, -0.0001283900000000 ] - [ -0.0013154000000000, 0.0009577100000000, 0.0005329300000000 ] - [ 0.0009568900000000, 0.0001659900000000, -0.0003825800000000 ] - [ -0.0013905400000000, 0.0003150700000000, 0.0018164000000000 ] - [ 0.0083972000000000, 0.0046267600000000, -0.0116017600000000 ] - [ 0.0017182100000000, -0.0001808300000000, -0.0007756300000000 ] - [ -0.0004955700000000, 0.0008512500000000, 0.0001565400000000 ] - [ -0.0011140400000000, 0.0008060200000000, 0.0001914000000000 ] - [ 0.0010208600000000, 0.0001482100000000, -0.0005710000000000 ]- atom: 61 displacement: [ -0.0099999975103145, 0.0000000000000000, 0.0000070564653367 ] forces: - [ 0.0073357400000000, -0.0009563100000000, 0.0061937300000000 ] - [ -0.0323243600000000, 0.0088226200000000, 0.0206127200000000 ] - [ 0.0046486700000000, -0.0005927100000000, -0.0000586400000000 ] - [ 0.0009048100000000, 0.0010041200000000, 0.0008330200000000 ] - [ -0.0034678100000000, 0.0016496600000000, -0.0001414000000000 ] - [ 0.0029182300000000, 0.0006731900000000, 0.0006211300000000 ] - [ 0.0039430900000000, -0.0001698200000000, -0.0057299700000000 ] - [ -0.0096507600000000, -0.0043825500000000, 0.0022400200000000 ] - [ 0.0035206900000000, 0.0000469400000000, 0.0002825400000000 ] - [ 0.0006783400000000, 0.0014093400000000, -0.0010216200000000 ] - [ -0.0028707400000000, 0.0012851900000000, -0.0004390200000000 ] - [ 0.0020948900000000, 0.0003159400000000, 0.0000657900000000 ] - [ -0.0052130800000000, 0.0041577200000000, 0.0067169700000000 ] - [ 0.0023777200000000, -0.0041248200000000, -0.0020024700000000 ] - [ 0.0030845400000000, 0.0015879300000000, 0.0005493800000000 ] - [ -0.0076070200000000, -0.0053645000000000, 0.0052704900000000 ] - [ 0.0072783600000000, 0.0088968100000000, -0.0040139200000000 ] - [ 0.0033828500000000, 0.0001319800000000, 0.0002219900000000 ] - [ -0.0036230600000000, 0.0034460600000000, -0.0064725200000000 ] - [ -0.0003525900000000, -0.0007696400000000, 0.0002359500000000 ] - [ 0.0029907400000000, 0.0009359500000000, -0.0009358900000000 ] - [ -0.0034759400000000, 0.0000288600000000, -0.0017860000000000 ] - [ 0.0011078100000000, 0.0023129200000000, 0.0013031800000000 ] - [ 0.0027077900000000, 0.0001361200000000, -0.0005701400000000 ] - [ -0.0385372300000000, -0.0218305600000000, 0.0177664100000000 ] - [ 0.0074110500000000, -0.0054610000000000, 0.0038366400000000 ] - [ 0.0046238400000000, -0.0004196300000000, -0.0002645800000000 ] - [ -0.0031123300000000, 0.0005016500000000, 0.0013183500000000 ] - [ 0.0003996800000000, 0.0016991800000000, 0.0009837400000000 ] - [ 0.0023668700000000, -0.0006239400000000, -0.0001388700000000 ] - [ -0.0049386100000000, -0.0014528600000000, -0.0017529400000000 ] - [ 0.0037480400000000, -0.0042547100000000, -0.0033344300000000 ] - [ 0.0030556500000000, -0.0004985100000000, 0.0002264400000000 ] - [ -0.0018810900000000, 0.0000707000000000, -0.0000337200000000 ] - [ -0.0000011400000000, 0.0010115600000000, -0.0015556900000000 ] - [ 0.0018981800000000, -0.0005278300000000, -0.0003062500000000 ] - [ 0.0042607400000000, 0.0045413700000000, 0.0021738800000000 ] - [ -0.0053856500000000, 0.0009532300000000, -0.0002008900000000 ] - [ 0.0022798700000000, -0.0003895700000000, 0.0006020400000000 ] - [ 0.0053182000000000, -0.0047526600000000, -0.0012360700000000 ] - [ -0.0250507900000000, -0.0119604300000000, -0.0024891900000000 ] - [ 0.0032883400000000, 0.0003265600000000, 0.0007678300000000 ] - [ 0.0007860600000000, 0.0005347900000000, -0.0003482300000000 ] - [ -0.0027368900000000, -0.0004468500000000, -0.0006411400000000 ] - [ 0.0019393200000000, 0.0000085300000000, -0.0003048000000000 ] - [ 0.0001450500000000, -0.0010280600000000, 0.0004656700000000 ] - [ -0.0039953700000000, 0.0028561700000000, -0.0031157800000000 ] - [ 0.0026299000000000, 0.0004287200000000, -0.0008072600000000 ] - [ 0.0019632800000000, -0.0019553300000000, 0.0003426700000000 ] - [ -0.0008195700000000, 0.0003120400000000, 0.0002332500000000 ] - [ -0.0018547200000000, -0.0007801600000000, 0.0013048800000000 ] - [ 0.0052593400000000, 0.0006539700000000, -0.0003645800000000 ] - [ -0.0014735500000000, -0.0001612900000000, -0.0000280700000000 ] - [ -0.0024167100000000, 0.0011721300000000, 0.0013997900000000 ] - [ 0.0020198700000000, -0.0013321400000000, -0.0007427700000000 ] - [ -0.0016847800000000, 0.0005926100000000, 0.0009966900000000 ] - [ -0.0006741300000000, -0.0002790300000000, 0.0001642800000000 ] - [ 0.0065716600000000, -0.0039698000000000, 0.0003563100000000 ] - [ -0.0028063600000000, 0.0007403600000000, 0.0013213900000000 ] - [ -0.0020740200000000, 0.0012835700000000, -0.0006465100000000 ] - [ 0.1367371000000000, 0.0575838100000000, -0.0580989500000000 ] - [ -0.0025699300000000, 0.0000807700000000, 0.0004204200000000 ] - [ -0.0025784100000000, -0.0003328100000000, 0.0005766500000000 ] - [ 0.0014655800000000, -0.0003712800000000, -0.0008773500000000 ] - [ -0.0005986600000000, 0.0000133400000000, 0.0001697500000000 ] - [ -0.0006012800000000, -0.0001485500000000, 0.0000449900000000 ] - [ 0.0024348600000000, 0.0013813800000000, -0.0000760700000000 ] - [ -0.0013039800000000, 0.0000590700000000, 0.0009182600000000 ] - [ -0.0013094300000000, 0.0005205800000000, 0.0012972700000000 ] - [ 0.0009890900000000, 0.0002061400000000, -0.0001778600000000 ] - [ -0.0005926000000000, 0.0001009200000000, 0.0006227800000000 ] - [ -0.0005960100000000, -0.0000217800000000, 0.0005522400000000 ] - [ 0.0083202000000000, 0.0006021400000000, 0.0088454100000000 ] - [ -0.0016629100000000, 0.0006343000000000, -0.0018584000000000 ] - [ -0.0021461200000000, -0.0008019800000000, -0.0000585000000000 ] - [ 0.0013600100000000, 0.0000426600000000, 0.0004369200000000 ] - [ -0.0008400100000000, -0.0007075600000000, -0.0004571500000000 ] - [ -0.0008286900000000, -0.0003696500000000, -0.0001605600000000 ] - [ 0.0093207800000000, 0.0049476100000000, 0.0019585500000000 ] - [ -0.0015146800000000, 0.0000697800000000, 0.0001160000000000 ] - [ -0.0022868300000000, -0.0012563400000000, -0.0013760000000000 ] - [ 0.0015759400000000, 0.0002927100000000, 0.0003034700000000 ] - [ -0.0019101100000000, -0.0030797800000000, 0.0011656200000000 ] - [ -0.0008188200000000, -0.0002887300000000, -0.0004147100000000 ] - [ 0.0064185200000000, -0.0067435300000000, -0.0026017900000000 ] - [ -0.0019823500000000, 0.0013023200000000, -0.0003997800000000 ] - [ -0.0023265500000000, -0.0004650100000000, -0.0006977400000000 ] - [ 0.0056123500000000, -0.0006873100000000, 0.0010037700000000 ] - [ -0.0016442900000000, -0.0012960100000000, -0.0013683300000000 ] - [ -0.0017061700000000, 0.0007065400000000, -0.0002358400000000 ] - [ 0.0017424200000000, -0.0001536800000000, 0.0021217500000000 ] - [ -0.0010373000000000, 0.0007054400000000, 0.0004228700000000 ] - [ -0.0007920100000000, -0.0002537800000000, 0.0000474800000000 ] - [ 0.0013567200000000, -0.0008735100000000, 0.0008608000000000 ] - [ -0.0005869000000000, -0.0005918900000000, 0.0000894000000000 ] - [ -0.0007290700000000, 0.0001345900000000, -0.0000595300000000 ] - [ -0.0090292700000000, -0.0158554600000000, 0.0078294300000000 ] - [ 0.0016121700000000, 0.0015849600000000, -0.0007509900000000 ] - [ -0.0014374900000000, -0.0007641000000000, -0.0002924700000000 ] - [ 0.0014074400000000, 0.0013822200000000, 0.0007883300000000 ] - [ -0.0006635200000000, -0.0020781100000000, -0.0014557500000000 ] - [ -0.0011687400000000, -0.0006023700000000, -0.0003851000000000 ] - [ 0.0006669600000000, -0.0001441700000000, -0.0010294300000000 ] - [ 0.0009048300000000, 0.0011051200000000, 0.0008418400000000 ] - [ -0.0012668200000000, -0.0006201200000000, -0.0003980700000000 ] - [ 0.0009763200000000, 0.0001455500000000, -0.0002221700000000 ] - [ 0.0004848700000000, -0.0020492000000000, 0.0015460100000000 ] - [ -0.0012178000000000, -0.0005700300000000, -0.0003536200000000 ] - [ -0.0082750500000000, -0.0056722600000000, -0.0099316100000000 ] - [ -0.0089319400000000, 0.0083728300000000, -0.0004290700000000 ] - [ -0.0022393900000000, 0.0006879800000000, -0.0009699700000000 ] - [ 0.0011098100000000, -0.0002390900000000, 0.0000234300000000 ] - [ 0.0009773300000000, -0.0025594900000000, -0.0002322200000000 ] - [ -0.0015589700000000, 0.0005019600000000, -0.0005641500000000 ] - [ 0.0009828100000000, 0.0001423600000000, 0.0023076000000000 ] - [ 0.0007624100000000, 0.0005677900000000, 0.0005411600000000 ] - [ -0.0016784600000000, 0.0005800100000000, -0.0004797200000000 ] - [ 0.0007760800000000, -0.0005194500000000, 0.0004612200000000 ] - [ 0.0008394400000000, -0.0008696700000000, 0.0003779400000000 ] - [ -0.0011228600000000, 0.0004090400000000, -0.0002065400000000 ] - [ 0.0001015200000000, -0.0019235600000000, -0.0014355000000000 ] - [ 0.0019630500000000, 0.0008196700000000, -0.0009787200000000 ] - [ -0.0013006500000000, -0.0008442400000000, 0.0000146000000000 ] - [ -0.0068629700000000, 0.0059276900000000, -0.0048837000000000 ] - [ -0.0231514800000000, -0.0174166100000000, 0.0112343500000000 ] - [ -0.0017314600000000, -0.0008393300000000, 0.0000242700000000 ] - [ -0.0005704800000000, -0.0012123800000000, 0.0008134400000000 ] - [ 0.0011402000000000, 0.0003580300000000, -0.0002030000000000 ] - [ -0.0010559200000000, -0.0007262100000000, 0.0001760600000000 ] - [ 0.0007364600000000, 0.0008055800000000, 0.0005874300000000 ] - [ 0.0012489000000000, -0.0002103200000000, 0.0003190500000000 ] - [ -0.0012234800000000, -0.0007732000000000, 0.0000467600000000 ] - [ -0.0094538100000000, 0.0050703100000000, 0.0073430200000000 ] - [ -0.0065976500000000, 0.0036467200000000, -0.0116272500000000 ] - [ -0.0019939400000000, 0.0009806700000000, 0.0005045500000000 ] - [ 0.0004364700000000, -0.0016963100000000, 0.0000258900000000 ] - [ 0.0010323100000000, -0.0002355700000000, -0.0006034900000000 ] - [ -0.0012031500000000, 0.0005541100000000, 0.0003113400000000 ] - [ 0.0011298500000000, 0.0004258200000000, -0.0019229800000000 ] - [ -0.0086668600000000, -0.0039021500000000, 0.0115768100000000 ] - [ -0.0019640900000000, 0.0009039200000000, 0.0007021600000000 ] - [ 0.0002311400000000, -0.0001225500000000, -0.0002566500000000 ] - [ 0.0008301200000000, -0.0000829900000000, -0.0002618400000000 ] - [ -0.0012656300000000, 0.0005718800000000, 0.0004976800000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0030492100000000, 0.0065456500000000, -0.0018474800000000 ] - [ -0.0044525200000000, 0.0255977800000000, 0.0134691100000000 ] - [ -0.0009228300000000, 0.0015117000000000, 0.0002546300000000 ] - [ 0.0004724400000000, -0.0030643000000000, 0.0000018400000000 ] - [ -0.0002179300000000, -0.0053063100000000, 0.0010554000000000 ] - [ -0.0010807200000000, -0.0011317800000000, -0.0001458500000000 ] - [ -0.0019178800000000, 0.0019508800000000, 0.0025266200000000 ] - [ 0.0023030000000000, 0.0088117000000000, -0.0015533300000000 ] - [ -0.0008143100000000, 0.0008235000000000, -0.0002881400000000 ] - [ 0.0005417300000000, -0.0020267400000000, 0.0001001000000000 ] - [ 0.0003251500000000, -0.0031050500000000, -0.0002163800000000 ] - [ -0.0007320700000000, -0.0006188500000000, -0.0001227300000000 ] - [ -0.0028442600000000, -0.0051476700000000, -0.0080625300000000 ] - [ 0.0019504500000000, -0.0004755400000000, -0.0007737300000000 ] - [ -0.0012410700000000, 0.0002446000000000, -0.0004983500000000 ] - [ 0.0105784500000000, -0.0047099500000000, 0.0126760200000000 ] - [ -0.0060011000000000, -0.0037657800000000, 0.0037619600000000 ] - [ -0.0002534800000000, 0.0010239900000000, 0.0002423900000000 ] - [ 0.0005713300000000, -0.0021613300000000, 0.0050474800000000 ] - [ 0.0007132400000000, 0.0007297900000000, 0.0005855300000000 ] - [ -0.0011978900000000, 0.0004835400000000, 0.0003634400000000 ] - [ 0.0052651900000000, -0.0014781600000000, -0.0028700400000000 ] - [ -0.0013983600000000, 0.0008134900000000, -0.0016466800000000 ] - [ -0.0004903100000000, 0.0011996900000000, 0.0001555100000000 ] - [ 0.0288050800000000, 0.0362636700000000, -0.0172560800000000 ] - [ 0.0004721200000000, 0.0042172500000000, 0.0023175100000000 ] - [ -0.0016134600000000, 0.0002892900000000, 0.0000284600000000 ] - [ 0.0058162400000000, -0.0100560200000000, -0.0048730000000000 ] - [ -0.0012210200000000, -0.0031916200000000, -0.0005037700000000 ] - [ -0.0003350200000000, -0.0012486100000000, -0.0001717200000000 ] - [ 0.0001843200000000, 0.0029497000000000, -0.0023206600000000 ] - [ 0.0010713800000000, -0.0005697500000000, -0.0010642600000000 ] - [ -0.0008977200000000, -0.0000081000000000, -0.0000360700000000 ] - [ 0.0008803700000000, -0.0031330200000000, 0.0004982400000000 ] - [ -0.0002022500000000, -0.0019917000000000, 0.0008577500000000 ] - [ -0.0003308500000000, -0.0010130300000000, 0.0001705300000000 ] - [ -0.0036168900000000, -0.0040506600000000, -0.0007066400000000 ] - [ 0.0056571500000000, -0.0066604700000000, 0.0026181400000000 ] - [ -0.0003360200000000, -0.0005595300000000, -0.0001019700000000 ] - [ 0.0015441500000000, 0.0031213600000000, -0.0024754500000000 ] - [ 0.0087833600000000, 0.0270239100000000, 0.0062013600000000 ] - [ -0.0013834700000000, 0.0006463600000000, -0.0003967200000000 ] - [ -0.0010327200000000, -0.0013319800000000, 0.0000632800000000 ] - [ 0.0012727100000000, -0.0015418300000000, -0.0005834000000000 ] - [ -0.0001913700000000, -0.0005194100000000, -0.0000463300000000 ] - [ 0.0009015400000000, 0.0015950300000000, 0.0001505900000000 ] - [ -0.0026579200000000, 0.0020893800000000, 0.0016934000000000 ] - [ -0.0007595800000000, 0.0005515600000000, 0.0005210900000000 ] - [ -0.0013037800000000, 0.0021819900000000, -0.0007778400000000 ] - [ -0.0002247300000000, 0.0001340700000000, 0.0002649600000000 ] - [ 0.0004843000000000, 0.0006816200000000, -0.0003344500000000 ] - [ -0.0029376700000000, 0.0000397700000000, 0.0127663900000000 ] - [ 0.0005476700000000, -0.0006414200000000, 0.0004001800000000 ] - [ 0.0006435100000000, -0.0011493600000000, -0.0000355700000000 ] - [ -0.0018815900000000, 0.0022286600000000, 0.0013170800000000 ] - [ -0.0005608000000000, 0.0004489800000000, 0.0004530200000000 ] - [ -0.0000239300000000, 0.0004521000000000, 0.0002077800000000 ] - [ 0.0028557800000000, -0.0005773300000000, -0.0097499900000000 ] - [ 0.0012333800000000, -0.0013569800000000, -0.0007138500000000 ] - [ -0.0000354000000000, -0.0012427100000000, 0.0002283100000000 ] - [ -0.0564154300000000, -0.1260738500000000, -0.0059184300000000 ] - [ 0.0008373600000000, -0.0005902500000000, 0.0001023700000000 ] - [ 0.0004142900000000, -0.0005835300000000, 0.0000109700000000 ] - [ 0.0008552700000000, 0.0058882000000000, 0.0004363800000000 ] - [ 0.0006547700000000, 0.0011697800000000, -0.0001153200000000 ] - [ 0.0004793400000000, 0.0011736000000000, 0.0001178800000000 ] - [ -0.0008832900000000, -0.0023189000000000, 0.0009212900000000 ] - [ -0.0000127400000000, -0.0001013600000000, 0.0001169800000000 ] - [ 0.0004362100000000, -0.0000951600000000, -0.0004123800000000 ] - [ 0.0002752600000000, 0.0016009400000000, 0.0000444500000000 ] - [ 0.0005281900000000, 0.0008892800000000, -0.0001701600000000 ] - [ 0.0003934300000000, 0.0008939600000000, -0.0000685400000000 ] - [ -0.0043843400000000, -0.0005589500000000, -0.0094704100000000 ] - [ 0.0000790100000000, -0.0005465100000000, 0.0000773600000000 ] - [ 0.0009623100000000, -0.0000703400000000, -0.0000042500000000 ] - [ 0.0004237200000000, 0.0017249900000000, 0.0013422800000000 ] - [ 0.0008793700000000, 0.0005134600000000, 0.0005534800000000 ] - [ 0.0001165200000000, 0.0001908300000000, 0.0001662500000000 ] - [ -0.0003643000000000, -0.0001705200000000, 0.0050647600000000 ] - [ -0.0005644500000000, -0.0005753400000000, 0.0001248900000000 ] - [ 0.0006501300000000, -0.0000506200000000, 0.0004181700000000 ] - [ 0.0002412100000000, 0.0019745700000000, -0.0017752800000000 ] - [ 0.0015318300000000, 0.0020788900000000, -0.0008033100000000 ] - [ 0.0001882100000000, 0.0002298600000000, 0.0000720300000000 ] - [ 0.0000668300000000, 0.0203938100000000, 0.0021268000000000 ] - [ -0.0003660800000000, -0.0005330200000000, -0.0003595500000000 ] - [ 0.0014861300000000, -0.0003196300000000, 0.0004602100000000 ] - [ -0.0069823800000000, 0.0221723300000000, -0.0011360500000000 ] - [ 0.0010789900000000, 0.0001465700000000, 0.0008865300000000 ] - [ -0.0005970900000000, -0.0002164400000000, 0.0000850700000000 ] - [ -0.0008760800000000, -0.0001251400000000, -0.0007877000000000 ] - [ -0.0002646800000000, -0.0001995600000000, 0.0001558000000000 ] - [ 0.0004590600000000, -0.0003624900000000, 0.0001148000000000 ] - [ -0.0005217600000000, 0.0006086500000000, -0.0000173600000000 ] - [ 0.0003168400000000, -0.0002450600000000, 0.0001716300000000 ] - [ -0.0002644200000000, -0.0003637200000000, -0.0000730000000000 ] - [ 0.0060438100000000, 0.0113466200000000, -0.0051649200000000 ] - [ -0.0017875800000000, -0.0008755200000000, -0.0010007300000000 ] - [ 0.0004730800000000, -0.0002127700000000, 0.0000011300000000 ] - [ -0.0018867200000000, -0.0007405000000000, 0.0004091300000000 ] - [ 0.0024934000000000, 0.0012274000000000, 0.0016946900000000 ] - [ 0.0004425300000000, -0.0002421700000000, 0.0001491700000000 ] - [ 0.0013110700000000, -0.0002353500000000, 0.0020088000000000 ] - [ -0.0004490100000000, -0.0001813100000000, 0.0001989900000000 ] - [ 0.0003539900000000, -0.0002538500000000, 0.0001167200000000 ] - [ -0.0014616800000000, 0.0000570700000000, -0.0019460100000000 ] - [ 0.0005969900000000, 0.0002302400000000, -0.0010882100000000 ] - [ 0.0004097900000000, -0.0001987900000000, -0.0000669500000000 ] - [ 0.0083699300000000, 0.0011115000000000, 0.0075880500000000 ] - [ -0.0051028900000000, 0.0007543700000000, 0.0006177400000000 ] - [ 0.0006662800000000, -0.0004844300000000, 0.0002897000000000 ] - [ -0.0032647300000000, 0.0026139200000000, -0.0010072300000000 ] - [ 0.0002257800000000, 0.0019880200000000, -0.0001239500000000 ] - [ 0.0001910000000000, -0.0000002700000000, 0.0000518100000000 ] - [ 0.0005093400000000, -0.0008489400000000, -0.0007569500000000 ] - [ 0.0003152700000000, -0.0008007600000000, 0.0006034300000000 ] - [ 0.0004438800000000, -0.0003702000000000, 0.0001062400000000 ] - [ -0.0012921900000000, 0.0014221300000000, 0.0000428200000000 ] - [ -0.0002689100000000, 0.0005351700000000, -0.0000491400000000 ] - [ 0.0001341100000000, -0.0000974700000000, -0.0000283100000000 ] - [ 0.0021337400000000, 0.0028264500000000, 0.0000600100000000 ] - [ -0.0006486400000000, 0.0013508700000000, 0.0003952800000000 ] - [ 0.0006576600000000, 0.0003508600000000, -0.0003027100000000 ] - [ -0.0067873400000000, -0.0023297000000000, -0.0004965300000000 ] - [ 0.0186286700000000, 0.0033762000000000, -0.0114675200000000 ] - [ 0.0005210600000000, -0.0003824900000000, -0.0003283700000000 ] - [ 0.0012126100000000, 0.0012858800000000, -0.0009725300000000 ] - [ -0.0000322600000000, 0.0003636400000000, -0.0001866300000000 ] - [ 0.0005826400000000, 0.0002451300000000, -0.0003623200000000 ] - [ -0.0010804800000000, -0.0017436400000000, -0.0001682300000000 ] - [ 0.0002962100000000, -0.0011945500000000, 0.0005611400000000 ] - [ 0.0003762400000000, -0.0003087700000000, -0.0002979600000000 ] - [ 0.0045276000000000, -0.0072696900000000, -0.0029709800000000 ] - [ 0.0031300300000000, -0.0061442900000000, 0.0031189800000000 ] - [ 0.0004931800000000, -0.0000910300000000, -0.0001448100000000 ] - [ -0.0021972300000000, 0.0039661400000000, 0.0008370000000000 ] - [ -0.0007328300000000, 0.0016043200000000, 0.0000950800000000 ] - [ 0.0000702400000000, 0.0005917100000000, -0.0000686500000000 ] - [ -0.0000756100000000, -0.0012869700000000, 0.0003691000000000 ] - [ -0.0044157400000000, -0.0029429600000000, 0.0068392400000000 ] - [ 0.0004177300000000, -0.0000978700000000, -0.0002740300000000 ] - [ -0.0006213000000000, 0.0017117500000000, 0.0000689800000000 ] - [ -0.0005811200000000, 0.0013771600000000, -0.0000280400000000 ] - [ 0.0000871800000000, 0.0006324400000000, -0.0002052800000000 ]- atom: 61 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0030489700000000, -0.0063091800000000, 0.0018587800000000 ] - [ 0.0045755000000000, -0.0250003100000000, -0.0135745700000000 ] - [ 0.0009267100000000, -0.0012609400000000, -0.0002498000000000 ] - [ -0.0004548000000000, 0.0033180200000000, 0.0000073300000000 ] - [ 0.0002003900000000, 0.0055515800000000, -0.0010355100000000 ] - [ 0.0010768600000000, 0.0013839800000000, 0.0001567900000000 ] - [ 0.0019318900000000, -0.0016936900000000, -0.0025470800000000 ] - [ -0.0023364900000000, -0.0085879000000000, 0.0015619800000000 ] - [ 0.0008176500000000, -0.0005712000000000, 0.0002968600000000 ] - [ -0.0005327500000000, 0.0022828500000000, -0.0001075400000000 ] - [ -0.0003334800000000, 0.0033624000000000, 0.0001984000000000 ] - [ 0.0007255100000000, 0.0008712700000000, 0.0001278900000000 ] - [ 0.0028426700000000, 0.0066041000000000, 0.0081253600000000 ] - [ -0.0019424700000000, 0.0019201800000000, 0.0007679100000000 ] - [ 0.0012613400000000, 0.0012306500000000, 0.0005012600000000 ] - [ -0.0105268800000000, 0.0062029300000000, -0.0125492000000000 ] - [ 0.0060091300000000, 0.0052656700000000, -0.0037611100000000 ] - [ 0.0002709300000000, 0.0004542800000000, -0.0002415700000000 ] - [ -0.0005785200000000, 0.0036381600000000, -0.0050677100000000 ] - [ -0.0007191200000000, 0.0007344400000000, -0.0005866700000000 ] - [ 0.0012165000000000, 0.0009910700000000, -0.0003646400000000 ] - [ -0.0052952500000000, 0.0029688100000000, 0.0028575200000000 ] - [ 0.0014042400000000, 0.0006757700000000, 0.0016520400000000 ] - [ 0.0005106900000000, 0.0002744100000000, -0.0001575900000000 ] - [ -0.0304613500000000, -0.0381918500000000, 0.0184254900000000 ] - [ -0.0004307800000000, -0.0052889000000000, -0.0023014900000000 ] - [ 0.0016397800000000, -0.0013289700000000, -0.0000367600000000 ] - [ -0.0057836300000000, 0.0089740300000000, 0.0048329100000000 ] - [ 0.0012130600000000, 0.0021618700000000, 0.0005000200000000 ] - [ 0.0003566200000000, 0.0002118000000000, 0.0001644800000000 ] - [ -0.0002224100000000, -0.0039983600000000, 0.0023051000000000 ] - [ -0.0010469200000000, -0.0004919900000000, 0.0010479000000000 ] - [ 0.0009190500000000, -0.0010313100000000, 0.0000298100000000 ] - [ -0.0008966200000000, 0.0021019600000000, -0.0004838700000000 ] - [ 0.0002000900000000, 0.0009595800000000, -0.0008616000000000 ] - [ 0.0003520700000000, -0.0000250500000000, -0.0001781200000000 ] - [ 0.0036318400000000, 0.0041490100000000, 0.0007046100000000 ] - [ -0.0057365300000000, 0.0067518500000000, -0.0026240900000000 ] - [ 0.0003694900000000, 0.0006371500000000, 0.0000920200000000 ] - [ -0.0015340000000000, -0.0030284200000000, 0.0024934400000000 ] - [ -0.0075153200000000, -0.0253236900000000, -0.0050933900000000 ] - [ 0.0014200400000000, -0.0005542600000000, 0.0003851900000000 ] - [ 0.0010368900000000, 0.0014287400000000, -0.0000630500000000 ] - [ -0.0013092600000000, 0.0016199200000000, 0.0005946500000000 ] - [ 0.0002235000000000, 0.0006038100000000, 0.0000323800000000 ] - [ -0.0009010500000000, -0.0014936800000000, -0.0001520800000000 ] - [ 0.0026164700000000, -0.0019769200000000, -0.0017019600000000 ] - [ 0.0007957300000000, -0.0004618900000000, -0.0005350100000000 ] - [ 0.0010130200000000, -0.0025715200000000, 0.0012823600000000 ] - [ -0.0000719300000000, -0.0004829600000000, 0.0002206700000000 ] - [ -0.0008278500000000, -0.0010531500000000, 0.0008240900000000 ] - [ 0.0026362100000000, -0.0004784700000000, -0.0122294900000000 ] - [ -0.0008492900000000, 0.0002876800000000, 0.0000848600000000 ] - [ -0.0009905600000000, 0.0007800200000000, 0.0005268200000000 ] - [ 0.0015951100000000, -0.0026132000000000, -0.0008374900000000 ] - [ 0.0002604700000000, -0.0007975500000000, 0.0000341400000000 ] - [ -0.0003176000000000, -0.0008228100000000, 0.0002757200000000 ] - [ -0.0031205100000000, 0.0001233700000000, 0.0102180100000000 ] - [ -0.0015339100000000, 0.0010060900000000, 0.0011981800000000 ] - [ -0.0003027500000000, 0.0008716000000000, 0.0002553700000000 ] - [ 0.0569634800000000, 0.1258916500000000, 0.0038534400000000 ] - [ -0.0005661800000000, 0.0013109700000000, -0.0000269200000000 ] - [ -0.0001503700000000, 0.0013174900000000, 0.0000855100000000 ] - [ -0.0005991600000000, -0.0051653000000000, -0.0003709300000000 ] - [ -0.0003744400000000, -0.0004458400000000, 0.0001864700000000 ] - [ -0.0002162100000000, -0.0004418800000000, -0.0000195600000000 ] - [ 0.0011370100000000, 0.0030432200000000, -0.0008445600000000 ] - [ 0.0002870100000000, 0.0008236500000000, -0.0000431200000000 ] - [ -0.0001708600000000, 0.0008298000000000, 0.0005141800000000 ] - [ -0.0000293200000000, -0.0008808200000000, 0.0000290200000000 ] - [ -0.0002491700000000, -0.0001657700000000, 0.0002434100000000 ] - [ -0.0001279500000000, -0.0001610000000000, 0.0001676900000000 ] - [ 0.0045476700000000, 0.0004267800000000, 0.0095903800000000 ] - [ 0.0000292300000000, 0.0004372000000000, -0.0000214500000000 ] - [ -0.0008643900000000, -0.0000710600000000, 0.0000612700000000 ] - [ -0.0002858100000000, -0.0018620500000000, -0.0012661500000000 ] - [ -0.0007664400000000, -0.0006323700000000, -0.0004878000000000 ] - [ -0.0000170600000000, -0.0003317200000000, -0.0001093900000000 ] - [ 0.0005343600000000, 0.0000760200000000, -0.0050029700000000 ] - [ 0.0006733200000000, 0.0004614800000000, -0.0000610900000000 ] - [ -0.0005490700000000, -0.0000881800000000, -0.0003641800000000 ] - [ -0.0001096600000000, -0.0021099300000000, 0.0018134200000000 ] - [ -0.0014194000000000, -0.0022019700000000, 0.0008688100000000 ] - [ -0.0000894900000000, -0.0003723300000000, -0.0000178800000000 ] - [ -0.0002178900000000, -0.0213202300000000, -0.0020717100000000 ] - [ 0.0001847700000000, -0.0000746100000000, 0.0004383000000000 ] - [ -0.0016272800000000, -0.0002890800000000, -0.0003690200000000 ] - [ 0.0067560900000000, -0.0223628100000000, 0.0011846600000000 ] - [ -0.0012529200000000, -0.0007676900000000, -0.0008092200000000 ] - [ 0.0004603000000000, -0.0003948200000000, 0.0000063600000000 ] - [ 0.0007408200000000, -0.0004879300000000, 0.0008689000000000 ] - [ 0.0000884000000000, -0.0004128600000000, -0.0000747100000000 ] - [ -0.0005970700000000, -0.0002465700000000, -0.0000230800000000 ] - [ 0.0003893900000000, -0.0012316400000000, 0.0000927100000000 ] - [ -0.0004901800000000, -0.0003736900000000, -0.0000925900000000 ] - [ 0.0001264600000000, -0.0002461400000000, 0.0001644700000000 ] - [ -0.0059064400000000, -0.0119996900000000, 0.0050740300000000 ] - [ 0.0019717000000000, 0.0002713300000000, 0.0009197300000000 ] - [ -0.0003381000000000, -0.0004057600000000, -0.0000734900000000 ] - [ 0.0020149300000000, 0.0001259300000000, -0.0004913400000000 ] - [ -0.0023431600000000, -0.0018747000000000, -0.0017898600000000 ] - [ -0.0003067700000000, -0.0003765600000000, -0.0002215100000000 ] - [ -0.0011770500000000, -0.0003678500000000, -0.0021115700000000 ] - [ 0.0006235000000000, -0.0004260800000000, -0.0002752600000000 ] - [ -0.0002181800000000, -0.0003635300000000, -0.0001904800000000 ] - [ 0.0015912500000000, -0.0006689200000000, 0.0018434200000000 ] - [ -0.0004290300000000, -0.0008600500000000, 0.0010091000000000 ] - [ -0.0002741700000000, -0.0004196500000000, -0.0000065400000000 ] - [ -0.0085178600000000, -0.0012424500000000, -0.0076989300000000 ] - [ 0.0049562900000000, -0.0008236900000000, -0.0007225400000000 ] - [ -0.0008017000000000, 0.0003518700000000, -0.0003493400000000 ] - [ 0.0031354400000000, -0.0027483900000000, 0.0009364900000000 ] - [ -0.0003278100000000, -0.0021116200000000, 0.0000592200000000 ] - [ -0.0003245100000000, -0.0001343200000000, -0.0001107500000000 ] - [ -0.0006115800000000, 0.0007128400000000, 0.0007098200000000 ] - [ -0.0004284700000000, 0.0006890100000000, -0.0006647400000000 ] - [ -0.0005790400000000, 0.0002373300000000, -0.0001652200000000 ] - [ 0.0011884500000000, -0.0015644200000000, -0.0000986700000000 ] - [ 0.0001594600000000, -0.0006567200000000, -0.0000125700000000 ] - [ -0.0002670200000000, -0.0000376600000000, -0.0000295300000000 ] - [ -0.0018065700000000, -0.0032042700000000, -0.0005502200000000 ] - [ 0.0009607400000000, -0.0016948600000000, -0.0008894100000000 ] - [ -0.0003682900000000, -0.0007373600000000, -0.0001865900000000 ] - [ 0.0071159500000000, 0.0019224600000000, 0.0000080400000000 ] - [ -0.0182266300000000, -0.0038214400000000, 0.0108974800000000 ] - [ -0.0002332100000000, -0.0000053800000000, -0.0001604700000000 ] - [ -0.0008785800000000, -0.0016603000000000, 0.0004900100000000 ] - [ 0.0003336600000000, -0.0007102800000000, -0.0002972100000000 ] - [ -0.0002913600000000, -0.0006311800000000, -0.0001265100000000 ] - [ 0.0014166700000000, 0.0013702600000000, -0.0003119600000000 ] - [ 0.0000009600000000, 0.0008410900000000, -0.0010430200000000 ] - [ -0.0000868800000000, -0.0000780400000000, -0.0001913400000000 ] - [ -0.0048326900000000, 0.0080710500000000, 0.0028919500000000 ] - [ -0.0034504700000000, 0.0068518800000000, -0.0032370700000000 ] - [ -0.0007440200000000, 0.0008131300000000, 0.0000754000000000 ] - [ 0.0019080600000000, -0.0032218300000000, -0.0009192200000000 ] - [ 0.0004606900000000, -0.0008833200000000, -0.0001662000000000 ] - [ -0.0003176000000000, 0.0001291000000000, -0.0000021000000000 ] - [ -0.0001868600000000, 0.0020217800000000, -0.0004674000000000 ] - [ 0.0041036900000000, 0.0036038500000000, -0.0068630700000000 ] - [ -0.0006663300000000, 0.0008201000000000, 0.0002030700000000 ] - [ 0.0003525000000000, -0.0009780600000000, -0.0001694800000000 ] - [ 0.0003080000000000, -0.0006541400000000, -0.0000503000000000 ] - [ -0.0003360000000000, 0.0000887100000000, 0.0001345100000000 ]- atom: 61 displacement: [ -0.0000724750264154, 0.0000000000000000, 0.0099997373650784 ] forces: - [ -0.0007560800000000, -0.0012785700000000, 0.0018245500000000 ] - [ -0.0180407600000000, 0.0174521500000000, 0.0428268100000000 ] - [ 0.0022605200000000, 0.0000893300000000, 0.0008064400000000 ] - [ 0.0000230400000000, 0.0003594300000000, 0.0003744900000000 ] - [ -0.0010641300000000, 0.0002100600000000, 0.0011706700000000 ] - [ 0.0011935600000000, 0.0002161600000000, 0.0005608200000000 ] - [ 0.0032727100000000, 0.0005036600000000, -0.0041592700000000 ] - [ -0.0063211500000000, 0.0023852200000000, -0.0129644700000000 ] - [ 0.0006635500000000, 0.0001760600000000, -0.0009103700000000 ] - [ 0.0010634600000000, 0.0005917600000000, -0.0005623400000000 ] - [ -0.0017355700000000, -0.0000064500000000, -0.0013112300000000 ] - [ 0.0006590000000000, 0.0000591300000000, -0.0003162800000000 ] - [ -0.0046089300000000, -0.0033977600000000, 0.0052171700000000 ] - [ 0.0029250200000000, -0.0033960900000000, -0.0006880600000000 ] - [ 0.0009399100000000, 0.0008374800000000, 0.0005430300000000 ] - [ -0.0075056700000000, 0.0107938600000000, 0.0034249400000000 ] - [ 0.0035321000000000, 0.0041081800000000, 0.0006068500000000 ] - [ 0.0007333500000000, 0.0008236900000000, 0.0002119100000000 ] - [ -0.0002610100000000, 0.0044784700000000, -0.0065305400000000 ] - [ -0.0009743300000000, 0.0011835700000000, -0.0009080100000000 ] - [ 0.0015630600000000, 0.0008058100000000, -0.0007420900000000 ] - [ 0.0047235700000000, -0.0057622200000000, -0.0062820000000000 ] - [ -0.0011259800000000, -0.0000742600000000, -0.0015611600000000 ] - [ 0.0013237800000000, 0.0003695400000000, -0.0005006300000000 ] - [ -0.0201405700000000, -0.0147069100000000, 0.0256031600000000 ] - [ -0.0013681100000000, 0.0033094100000000, 0.0093689800000000 ] - [ 0.0017345600000000, -0.0006680000000000, 0.0007462600000000 ] - [ -0.0002963300000000, -0.0017298300000000, 0.0016663700000000 ] - [ -0.0006194500000000, -0.0005149000000000, 0.0015456100000000 ] - [ 0.0008675800000000, -0.0004650800000000, 0.0005555000000000 ] - [ -0.0052989100000000, -0.0007487300000000, -0.0089857500000000 ] - [ 0.0049118300000000, -0.0051285300000000, -0.0060389000000000 ] - [ 0.0010722800000000, -0.0004469600000000, -0.0007251500000000 ] - [ -0.0011429300000000, 0.0001903100000000, -0.0017903500000000 ] - [ 0.0006277400000000, 0.0005423700000000, -0.0018352500000000 ] - [ 0.0008386700000000, -0.0004335800000000, -0.0006233900000000 ] - [ 0.0025750900000000, 0.0025527300000000, 0.0027267900000000 ] - [ -0.0019098400000000, 0.0007840000000000, 0.0017344100000000 ] - [ 0.0007545700000000, -0.0001591700000000, 0.0005293400000000 ] - [ 0.0026649100000000, -0.0020957100000000, 0.0032263000000000 ] - [ 0.0016519200000000, 0.0091841400000000, 0.0227404200000000 ] - [ 0.0006864400000000, 0.0000103400000000, 0.0009513500000000 ] - [ 0.0000262900000000, -0.0003941800000000, -0.0012151700000000 ] - [ -0.0010090000000000, -0.0011880300000000, -0.0019801000000000 ] - [ 0.0010650500000000, -0.0001254700000000, -0.0004286700000000 ] - [ -0.0003992700000000, 0.0000335400000000, -0.0017036200000000 ] - [ -0.0004893800000000, 0.0042578900000000, -0.0094239100000000 ] - [ 0.0013415800000000, 0.0004587400000000, -0.0007840300000000 ] - [ 0.0010701700000000, -0.0014393200000000, -0.0000053900000000 ] - [ -0.0001494400000000, -0.0001605800000000, 0.0002012800000000 ] - [ -0.0012955800000000, -0.0004461100000000, 0.0008056400000000 ] - [ -0.0014608700000000, 0.0092337400000000, 0.0181667100000000 ] - [ 0.0004092600000000, 0.0000254700000000, 0.0002852800000000 ] - [ -0.0016732600000000, 0.0005819800000000, 0.0008399500000000 ] - [ 0.0002238500000000, 0.0005788200000000, 0.0000546500000000 ] - [ -0.0012690300000000, 0.0005281700000000, 0.0007235200000000 ] - [ -0.0002169800000000, -0.0000890900000000, 0.0001775900000000 ] - [ 0.0006103900000000, -0.0116720700000000, 0.0154478100000000 ] - [ -0.0016573600000000, -0.0000491600000000, 0.0004211500000000 ] - [ -0.0000934100000000, 0.0000122400000000, 0.0001399700000000 ] - [ 0.0579673900000000, -0.0036435100000000, -0.1332771800000000 ] - [ -0.0004065500000000, 0.0003276900000000, -0.0007269400000000 ] - [ -0.0002648600000000, 0.0004306600000000, -0.0007135900000000 ] - [ 0.0010405700000000, 0.0007538100000000, -0.0008815600000000 ] - [ 0.0001368700000000, 0.0004264800000000, -0.0002474400000000 ] - [ -0.0000025300000000, 0.0002126800000000, -0.0002350900000000 ] - [ 0.0002515000000000, 0.0012472600000000, 0.0060650900000000 ] - [ -0.0011061700000000, -0.0000994600000000, 0.0013138600000000 ] - [ -0.0007580500000000, 0.0004492200000000, 0.0013338400000000 ] - [ 0.0003423900000000, 0.0003665700000000, 0.0005516000000000 ] - [ -0.0003665300000000, 0.0002422700000000, 0.0005836200000000 ] - [ -0.0004564500000000, 0.0001578800000000, 0.0005954400000000 ] - [ 0.0013511400000000, -0.0049469300000000, 0.0099757000000000 ] - [ 0.0002219300000000, -0.0001626900000000, -0.0003646700000000 ] - [ -0.0014272800000000, -0.0005564300000000, -0.0001706600000000 ] - [ 0.0006441800000000, 0.0014214200000000, 0.0001903500000000 ] - [ 0.0000796200000000, 0.0000379300000000, -0.0000346200000000 ] - [ -0.0006102400000000, -0.0002617200000000, -0.0002149000000000 ] - [ 0.0093517500000000, 0.0096723500000000, 0.0095453700000000 ] - [ -0.0014218300000000, -0.0000713000000000, -0.0001139100000000 ] - [ -0.0000625900000000, -0.0001160500000000, -0.0001059800000000 ] - [ 0.0006173600000000, -0.0009518500000000, 0.0000453000000000 ] - [ -0.0009171500000000, -0.0012457300000000, 0.0002112100000000 ] - [ -0.0001101100000000, -0.0002146100000000, 0.0000047100000000 ] - [ 0.0020622000000000, -0.0020393100000000, -0.0057285400000000 ] - [ -0.0009887100000000, -0.0002715900000000, -0.0012851500000000 ] - [ -0.0009775400000000, -0.0002480900000000, -0.0007090400000000 ] - [ -0.0011005200000000, 0.0006122300000000, -0.0049051800000000 ] - [ -0.0007224700000000, -0.0007850800000000, -0.0010476300000000 ] - [ -0.0003034800000000, -0.0003031700000000, -0.0003899000000000 ] - [ 0.0009917900000000, 0.0003205000000000, 0.0034799800000000 ] - [ -0.0006481700000000, 0.0007129100000000, 0.0011800100000000 ] - [ -0.0002992100000000, -0.0002115600000000, 0.0003843100000000 ] - [ 0.0014672300000000, -0.0007824300000000, 0.0037388100000000 ] - [ -0.0001248400000000, -0.0003002600000000, 0.0007065000000000 ] - [ -0.0003772200000000, -0.0000884200000000, 0.0002916100000000 ] - [ -0.0056171000000000, -0.0107850200000000, 0.0062604200000000 ] - [ 0.0010718900000000, -0.0006365300000000, -0.0008432600000000 ] - [ -0.0004942600000000, -0.0004768900000000, -0.0003048700000000 ] - [ -0.0005802000000000, 0.0009494200000000, -0.0010450800000000 ] - [ 0.0015571100000000, 0.0007924900000000, -0.0004525300000000 ] - [ -0.0002974400000000, -0.0003259600000000, -0.0003159400000000 ] - [ 0.0014427400000000, 0.0005466800000000, 0.0004161600000000 ] - [ -0.0001270300000000, 0.0011546100000000, 0.0008257700000000 ] - [ -0.0004895200000000, -0.0003943700000000, -0.0000653900000000 ] - [ 0.0009080900000000, -0.0007242300000000, 0.0007789600000000 ] - [ -0.0015233000000000, -0.0027560800000000, 0.0004293500000000 ] - [ -0.0004112400000000, -0.0005154400000000, 0.0000198000000000 ] - [ -0.0004305500000000, 0.0007937900000000, -0.0076383000000000 ] - [ -0.0103305000000000, 0.0073520700000000, -0.0081405700000000 ] - [ -0.0009744600000000, 0.0002443000000000, -0.0006374500000000 ] - [ -0.0000045000000000, -0.0009833000000000, -0.0012364200000000 ] - [ 0.0001170300000000, -0.0008940200000000, -0.0008414900000000 ] - [ -0.0005949900000000, 0.0000480200000000, -0.0003911900000000 ] - [ 0.0007259800000000, 0.0004249300000000, 0.0032133600000000 ] - [ 0.0024527600000000, -0.0011141000000000, 0.0032039200000000 ] - [ -0.0005774800000000, 0.0001685700000000, 0.0001284700000000 ] - [ -0.0001588500000000, 0.0010684600000000, 0.0014080400000000 ] - [ 0.0005810800000000, -0.0002156100000000, 0.0008806900000000 ] - [ -0.0004705000000000, 0.0001811000000000, 0.0000680600000000 ] - [ 0.0012319200000000, 0.0000172900000000, -0.0018099700000000 ] - [ 0.0010460700000000, 0.0007153700000000, -0.0010880900000000 ] - [ -0.0003239000000000, -0.0004086900000000, -0.0003084400000000 ] - [ 0.0035253700000000, 0.0000707000000000, -0.0032675800000000 ] - [ -0.0098970600000000, -0.0096546400000000, -0.0050688600000000 ] - [ -0.0004594200000000, -0.0004647300000000, -0.0003887100000000 ] - [ -0.0009709100000000, -0.0009692300000000, 0.0012744700000000 ] - [ 0.0004834600000000, 0.0000577400000000, 0.0003429200000000 ] - [ -0.0004515400000000, -0.0003778200000000, 0.0001093500000000 ] - [ -0.0007804700000000, -0.0004424000000000, 0.0016570700000000 ] - [ 0.0013833600000000, 0.0004142500000000, 0.0035075500000000 ] - [ -0.0004087800000000, -0.0004162700000000, 0.0001392300000000 ] - [ -0.0075628400000000, 0.0033273600000000, 0.0038408900000000 ] - [ 0.0114858600000000, -0.0027861500000000, 0.0039399200000000 ] - [ -0.0006733200000000, 0.0004752700000000, 0.0000331900000000 ] - [ -0.0002024900000000, -0.0005250700000000, -0.0001770800000000 ] - [ 0.0004356700000000, 0.0002256400000000, -0.0004408700000000 ] - [ -0.0004748900000000, 0.0003942900000000, 0.0000009800000000 ] - [ 0.0017333000000000, -0.0000436600000000, 0.0001634600000000 ] - [ -0.0117216800000000, -0.0064797100000000, 0.0187074700000000 ] - [ -0.0008721800000000, 0.0006033400000000, 0.0003468200000000 ] - [ 0.0000728000000000, 0.0002440900000000, 0.0001781400000000 ] - [ 0.0000919100000000, 0.0003464300000000, 0.0000387100000000 ] - [ -0.0006639400000000, 0.0005313200000000, 0.0002539800000000 ]- atom: 61 displacement: [ 0.0000724750264154, 0.0000000000000000, -0.0099997373650784 ] forces: - [ 0.0007430400000000, 0.0015124700000000, -0.0018562000000000 ] - [ 0.0202224300000000, -0.0182206600000000, -0.0456419400000000 ] - [ -0.0022836800000000, 0.0001561000000000, -0.0008070100000000 ] - [ -0.0000279100000000, -0.0000947400000000, -0.0003846500000000 ] - [ 0.0010877300000000, 0.0000638100000000, -0.0012017800000000 ] - [ -0.0012068100000000, 0.0000448200000000, -0.0005548500000000 ] - [ -0.0032664900000000, -0.0002478100000000, 0.0041742700000000 ] - [ 0.0062967400000000, -0.0021446600000000, 0.0129880400000000 ] - [ -0.0006838800000000, 0.0000746300000000, 0.0009245600000000 ] - [ -0.0010651300000000, -0.0003383600000000, 0.0005785400000000 ] - [ 0.0017524600000000, 0.0002655900000000, 0.0013173300000000 ] - [ -0.0006751700000000, 0.0001991300000000, 0.0003248700000000 ] - [ 0.0046273500000000, 0.0049187100000000, -0.0052987700000000 ] - [ -0.0029452800000000, 0.0049032500000000, 0.0006858800000000 ] - [ -0.0009372700000000, 0.0006357200000000, -0.0005451500000000 ] - [ 0.0074929800000000, -0.0093077900000000, -0.0035665600000000 ] - [ -0.0035065100000000, -0.0026145000000000, -0.0006480400000000 ] - [ -0.0007332300000000, 0.0006486200000000, -0.0002138300000000 ] - [ 0.0002872300000000, -0.0029851700000000, 0.0065636300000000 ] - [ 0.0009724200000000, 0.0002948800000000, 0.0009188100000000 ] - [ -0.0015615700000000, 0.0006707300000000, 0.0007484700000000 ] - [ -0.0047131400000000, 0.0072179300000000, 0.0063036900000000 ] - [ 0.0011249300000000, 0.0015384500000000, 0.0015834100000000 ] - [ -0.0013183800000000, 0.0010994700000000, 0.0005046800000000 ] - [ 0.0193719800000000, 0.0128821400000000, -0.0255533600000000 ] - [ 0.0013814000000000, -0.0043848100000000, -0.0094074500000000 ] - [ -0.0017313300000000, -0.0003722900000000, -0.0007509900000000 ] - [ 0.0002518000000000, 0.0007285100000000, -0.0016225200000000 ] - [ 0.0006283800000000, -0.0005158300000000, -0.0015437400000000 ] - [ -0.0008622300000000, -0.0005722200000000, -0.0005606300000000 ] - [ 0.0053507800000000, -0.0002997400000000, 0.0090591200000000 ] - [ -0.0049649800000000, 0.0041202000000000, 0.0060752000000000 ] - [ -0.0010637400000000, -0.0005925100000000, 0.0007172000000000 ] - [ 0.0011405500000000, -0.0012334600000000, 0.0017881600000000 ] - [ -0.0006352400000000, -0.0015885700000000, 0.0018363000000000 ] - [ -0.0008291900000000, -0.0006051500000000, 0.0006156700000000 ] - [ -0.0025969100000000, -0.0024652700000000, -0.0027455800000000 ] - [ 0.0019128800000000, -0.0007074500000000, -0.0017079000000000 ] - [ -0.0007342400000000, 0.0002490500000000, -0.0005421000000000 ] - [ -0.0026892900000000, 0.0021968100000000, -0.0032022600000000 ] - [ -0.0011704700000000, -0.0084129400000000, -0.0225199800000000 ] - [ -0.0006595200000000, 0.0000712800000000, -0.0009623100000000 ] - [ -0.0000195500000000, 0.0004991000000000, 0.0012170000000000 ] - [ 0.0009841000000000, 0.0013015800000000, 0.0020022300000000 ] - [ -0.0010478400000000, 0.0002184300000000, 0.0004156100000000 ] - [ 0.0004050000000000, 0.0000563900000000, 0.0016993200000000 ] - [ 0.0004621300000000, -0.0042082900000000, 0.0094727800000000 ] - [ -0.0013218100000000, -0.0003788600000000, 0.0007682600000000 ] - [ -0.0013666400000000, 0.0010527400000000, 0.0004869200000000 ] - [ -0.0001436600000000, -0.0001936500000000, 0.0002843600000000 ] - [ 0.0009671400000000, 0.0000737200000000, -0.0003254100000000 ] - [ 0.0011678200000000, -0.0094844500000000, -0.0174934900000000 ] - [ -0.0007062300000000, -0.0003745400000000, 0.0001983700000000 ] - [ 0.0013378400000000, -0.0009519900000000, -0.0003573100000000 ] - [ -0.0005189100000000, -0.0009788000000000, 0.0004431200000000 ] - [ 0.0009809600000000, -0.0008877600000000, -0.0002392200000000 ] - [ -0.0001198800000000, -0.0002874200000000, 0.0003109300000000 ] - [ -0.0009170900000000, 0.0114483800000000, -0.0151328100000000 ] - [ 0.0013613000000000, -0.0002931400000000, 0.0000726200000000 ] - [ -0.0002383600000000, -0.0003849100000000, 0.0003525700000000 ] - [ -0.0597960200000000, 0.0053232700000000, 0.1359175100000000 ] - [ 0.0006888400000000, 0.0004057200000000, 0.0007980600000000 ] - [ 0.0005416000000000, 0.0003106400000000, 0.0008089500000000 ] - [ -0.0008057600000000, -0.0000433100000000, 0.0009586000000000 ] - [ 0.0001421100000000, 0.0002932700000000, 0.0003188500000000 ] - [ 0.0002741300000000, 0.0005211600000000, 0.0003330000000000 ] - [ -0.0000118900000000, -0.0005336200000000, -0.0060191600000000 ] - [ 0.0014019100000000, 0.0008312100000000, -0.0012518000000000 ] - [ 0.0010261200000000, 0.0002861800000000, -0.0012372800000000 ] - [ -0.0000997800000000, 0.0003521100000000, -0.0004801700000000 ] - [ 0.0006507500000000, 0.0004811800000000, -0.0005137800000000 ] - [ 0.0007269600000000, 0.0005757900000000, -0.0005009500000000 ] - [ -0.0012520900000000, 0.0047346400000000, -0.0098402200000000 ] - [ -0.0001034400000000, 0.0000456300000000, 0.0004345000000000 ] - [ 0.0015326300000000, 0.0004140400000000, 0.0002267300000000 ] - [ -0.0005205900000000, -0.0015573000000000, -0.0001520300000000 ] - [ 0.0000330300000000, -0.0001551300000000, 0.0000959200000000 ] - [ 0.0007167800000000, 0.0001221700000000, 0.0002719700000000 ] - [ -0.0093347800000000, -0.0099514200000000, -0.0096265000000000 ] - [ 0.0015509000000000, -0.0000450200000000, 0.0001885400000000 ] - [ 0.0001724600000000, -0.0000211500000000, 0.0001688200000000 ] - [ -0.0004919000000000, 0.0008120100000000, 0.0000288800000000 ] - [ 0.0010291900000000, 0.0011180500000000, -0.0001365900000000 ] - [ 0.0002169400000000, 0.0000735300000000, 0.0000556000000000 ] - [ -0.0021862000000000, 0.0015102300000000, 0.0058307400000000 ] - [ 0.0008245400000000, -0.0003485500000000, 0.0013711300000000 ] - [ 0.0008484500000000, -0.0003631100000000, 0.0008043900000000 ] - [ 0.0009958800000000, -0.0013604700000000, 0.0049764200000000 ] - [ 0.0005458800000000, 0.0001680100000000, 0.0011249400000000 ] - [ 0.0001765300000000, -0.0003107200000000, 0.0004827700000000 ] - [ -0.0011377400000000, -0.0009523800000000, -0.0034267800000000 ] - [ 0.0004833100000000, -0.0013416500000000, -0.0011087900000000 ] - [ 0.0001627900000000, -0.0004004800000000, -0.0002938000000000 ] - [ -0.0016207300000000, 0.0001827900000000, -0.0036802700000000 ] - [ -0.0000473800000000, -0.0003147800000000, -0.0006296200000000 ] - [ 0.0002423400000000, -0.0005223000000000, -0.0001991800000000 ] - [ 0.0057897300000000, 0.0102570700000000, -0.0063496200000000 ] - [ -0.0009050000000000, 0.0000169400000000, 0.0007664000000000 ] - [ 0.0006396400000000, -0.0001397300000000, 0.0002357000000000 ] - [ 0.0007159700000000, -0.0015564900000000, 0.0009356100000000 ] - [ -0.0014023100000000, -0.0014213100000000, 0.0003585600000000 ] - [ 0.0004399500000000, -0.0002901300000000, 0.0002450700000000 ] - [ -0.0013228200000000, -0.0011714600000000, -0.0005060800000000 ] - [ 0.0003067000000000, -0.0017882700000000, -0.0009066500000000 ] - [ 0.0006346200000000, -0.0002237000000000, -0.0000038100000000 ] - [ -0.0007730800000000, 0.0001132000000000, -0.0008575700000000 ] - [ 0.0017170300000000, 0.0021582700000000, -0.0004929500000000 ] - [ 0.0005548800000000, -0.0001007200000000, -0.0000890100000000 ] - [ 0.0003340500000000, -0.0009144900000000, 0.0075767600000000 ] - [ 0.0102756900000000, -0.0075188900000000, 0.0082118500000000 ] - [ 0.0008511700000000, -0.0003829800000000, 0.0005832300000000 ] - [ -0.0000867600000000, 0.0008357100000000, 0.0011904800000000 ] - [ -0.0002357600000000, 0.0007702100000000, 0.0007807400000000 ] - [ 0.0004695900000000, -0.0001870200000000, 0.0003359100000000 ] - [ -0.0008459400000000, -0.0005696500000000, -0.0032904600000000 ] - [ -0.0025689500000000, 0.0009933600000000, -0.0032842000000000 ] - [ 0.0004525900000000, -0.0003081000000000, -0.0001860600000000 ] - [ 0.0000484600000000, -0.0012033300000000, -0.0014669300000000 ] - [ -0.0006963300000000, 0.0000996700000000, -0.0009494300000000 ] - [ 0.0003445100000000, -0.0003203200000000, -0.0001248300000000 ] - [ -0.0009020900000000, -0.0003942300000000, 0.0013391300000000 ] - [ -0.0007609600000000, -0.0010764200000000, 0.0006095200000000 ] - [ 0.0006219800000000, 0.0000232800000000, -0.0001828500000000 ] - [ -0.0031321000000000, -0.0004594300000000, 0.0028123100000000 ] - [ 0.0101165300000000, 0.0093105700000000, 0.0047304700000000 ] - [ 0.0007580700000000, 0.0000843400000000, -0.0001006900000000 ] - [ 0.0013016200000000, 0.0005911500000000, -0.0017618800000000 ] - [ -0.0001878700000000, -0.0004139700000000, -0.0008328100000000 ] - [ 0.0007507000000000, -0.0000068600000000, -0.0006017700000000 ] - [ 0.0011121100000000, 0.0000688600000000, -0.0021428200000000 ] - [ -0.0010778900000000, -0.0007544900000000, -0.0040168300000000 ] - [ 0.0007088700000000, 0.0000356300000000, -0.0006320100000000 ] - [ 0.0072824200000000, -0.0026039400000000, -0.0039435000000000 ] - [ -0.0117131900000000, 0.0035218900000000, -0.0040277600000000 ] - [ 0.0004326500000000, 0.0002458000000000, -0.0001071300000000 ] - [ -0.0000559100000000, 0.0012603000000000, 0.0000715000000000 ] - [ -0.0007169200000000, 0.0004955400000000, 0.0003681400000000 ] - [ 0.0002346400000000, 0.0003245100000000, -0.0000739400000000 ] - [ -0.0020240700000000, 0.0007914800000000, -0.0002490200000000 ] - [ 0.0115548200000000, 0.0072845500000000, -0.0189950700000000 ] - [ 0.0006321400000000, 0.0001184600000000, -0.0004193000000000 ] - [ -0.0003451900000000, 0.0004883800000000, -0.0002707200000000 ] - [ -0.0003748300000000, 0.0003741100000000, -0.0001053100000000 ] - [ 0.0004212300000000, 0.0001874900000000, -0.0003258900000000 ]- atom: 73 displacement: [ 0.0099999975103145, 0.0000000000000000, -0.0000070564653367 ] forces: - [ -0.0038643200000000, 0.0038048100000000, -0.0035150000000000 ] - [ 0.0050840100000000, 0.0010493500000000, -0.0011359600000000 ] - [ -0.0035158700000000, 0.0001542000000000, 0.0001169900000000 ] - [ -0.0008757000000000, -0.0015727300000000, -0.0006174500000000 ] - [ 0.0026526800000000, -0.0004768100000000, -0.0001301200000000 ] - [ -0.0022643800000000, 0.0000867600000000, -0.0000314500000000 ] - [ -0.0067511300000000, 0.0045972900000000, 0.0029435900000000 ] - [ 0.0481699800000000, 0.0288229700000000, 0.0220682300000000 ] - [ -0.0051109600000000, 0.0002177400000000, -0.0003218000000000 ] - [ -0.0014148900000000, -0.0041086800000000, -0.0000438500000000 ] - [ 0.0036944200000000, -0.0008673300000000, 0.0007037200000000 ] - [ -0.0031951900000000, 0.0001770900000000, -0.0005179800000000 ] - [ 0.0052007800000000, -0.0019539000000000, -0.0033349400000000 ] - [ -0.0000308800000000, 0.0020351000000000, 0.0005077400000000 ] - [ -0.0032591300000000, 0.0001285500000000, -0.0010712300000000 ] - [ 0.0031629600000000, 0.0012044100000000, -0.0009860000000000 ] - [ -0.0008568700000000, 0.0000375200000000, -0.0003520000000000 ] - [ -0.0022162100000000, 0.0009681800000000, 0.0000408500000000 ] - [ 0.0176910300000000, 0.0076385500000000, 0.0053642200000000 ] - [ -0.0060501900000000, 0.0066426900000000, -0.0010020600000000 ] - [ -0.0046157800000000, 0.0008088200000000, 0.0008139300000000 ] - [ 0.0070630000000000, -0.0009348200000000, -0.0000744000000000 ] - [ -0.0061007000000000, -0.0051702100000000, 0.0024107100000000 ] - [ -0.0029729600000000, 0.0011224400000000, 0.0006798300000000 ] - [ 0.0311178200000000, -0.0080694300000000, 0.0205772200000000 ] - [ -0.0073914100000000, 0.0013303100000000, 0.0063245500000000 ] - [ -0.0046702600000000, 0.0004123000000000, 0.0001455700000000 ] - [ 0.0032767500000000, -0.0023822800000000, -0.0002683500000000 ] - [ -0.0006268300000000, -0.0014798900000000, 0.0013590400000000 ] - [ -0.0023959900000000, -0.0009228900000000, -0.0000363400000000 ] - [ 0.0099273700000000, 0.0039345700000000, 0.0017437800000000 ] - [ -0.0044421000000000, -0.0000799100000000, -0.0068642100000000 ] - [ -0.0034769100000000, -0.0001174400000000, 0.0002782200000000 ] - [ 0.0030176100000000, -0.0024431400000000, -0.0004960300000000 ] - [ -0.0006060000000000, -0.0018668400000000, -0.0010349400000000 ] - [ -0.0023137400000000, -0.0012115700000000, 0.0003809900000000 ] - [ -0.0056321900000000, -0.0067246900000000, -0.0034355900000000 ] - [ 0.0060000500000000, 0.0042968700000000, 0.0036924900000000 ] - [ -0.0030602300000000, 0.0003707800000000, 0.0003122800000000 ] - [ -0.0019007700000000, 0.0044020000000000, -0.0015294900000000 ] - [ 0.0044837800000000, -0.0036181600000000, 0.0059034300000000 ] - [ -0.0027724500000000, -0.0005206700000000, 0.0005113200000000 ] - [ -0.0018584500000000, -0.0005206900000000, 0.0031146300000000 ] - [ 0.0031297600000000, 0.0009262400000000, -0.0014735800000000 ] - [ -0.0025853100000000, 0.0006229900000000, -0.0005274900000000 ] - [ 0.0003129800000000, 0.0012489600000000, 0.0001177200000000 ] - [ 0.0033703300000000, -0.0030018100000000, -0.0060927200000000 ] - [ -0.0026719400000000, -0.0002566500000000, -0.0008074100000000 ] - [ -0.0068857200000000, 0.0009819500000000, 0.0020787000000000 ] - [ 0.0023401700000000, -0.0017944100000000, -0.0005548900000000 ] - [ 0.0024072300000000, 0.0006477000000000, -0.0011770300000000 ] - [ -0.0077812300000000, 0.0071369300000000, -0.0015622000000000 ] - [ 0.0023702000000000, -0.0005984400000000, -0.0003381600000000 ] - [ 0.0021219900000000, -0.0020819200000000, -0.0006004800000000 ] - [ -0.0022100300000000, 0.0009409500000000, 0.0012409300000000 ] - [ 0.0006913200000000, -0.0007762300000000, 0.0001982900000000 ] - [ 0.0003893600000000, -0.0000791800000000, 0.0001549100000000 ] - [ -0.0018585800000000, 0.0005120200000000, 0.0017741300000000 ] - [ 0.0007058600000000, -0.0003471900000000, 0.0003616400000000 ] - [ 0.0008477900000000, -0.0014100800000000, 0.0005047100000000 ] - [ -0.0080845500000000, -0.0041069400000000, 0.0012930200000000 ] - [ 0.0023370300000000, 0.0012776400000000, -0.0014308700000000 ] - [ 0.0018552500000000, 0.0003923200000000, 0.0002209100000000 ] - [ -0.0011733300000000, 0.0007193400000000, 0.0006131600000000 ] - [ 0.0010213300000000, 0.0004281700000000, -0.0006217900000000 ] - [ 0.0010306700000000, 0.0011898500000000, 0.0000777600000000 ] - [ -0.0091866700000000, -0.0001128100000000, 0.0093203100000000 ] - [ 0.0024801500000000, 0.0009633700000000, -0.0000638900000000 ] - [ 0.0017091000000000, -0.0002500400000000, -0.0014259700000000 ] - [ -0.0013897200000000, 0.0005433900000000, 0.0005802400000000 ] - [ 0.0010118700000000, 0.0005010500000000, -0.0001205000000000 ] - [ 0.0021088400000000, 0.0018458100000000, -0.0009100000000000 ] - [ -0.1446168200000000, -0.0616223100000000, -0.0653012300000000 ] - [ 0.0026739800000000, 0.0004198400000000, 0.0006171400000000 ] - [ 0.0026674200000000, 0.0004721600000000, 0.0005149500000000 ] - [ -0.0015721200000000, 0.0003057600000000, -0.0009319000000000 ] - [ 0.0014141800000000, 0.0015068900000000, -0.0002372300000000 ] - [ 0.0014121900000000, 0.0007720200000000, 0.0005509500000000 ] - [ -0.0025788700000000, -0.0013219900000000, -0.0000487400000000 ] - [ 0.0016599600000000, -0.0002547300000000, 0.0017011900000000 ] - [ 0.0016558100000000, 0.0004197300000000, 0.0009183900000000 ] - [ -0.0010006800000000, -0.0001641600000000, -0.0000990500000000 ] - [ 0.0008898900000000, 0.0003944400000000, 0.0004878300000000 ] - [ 0.0008859500000000, 0.0004002700000000, 0.0003348800000000 ] - [ -0.0059446000000000, 0.0019582500000000, 0.0003156100000000 ] - [ 0.0016647500000000, -0.0016293500000000, -0.0010772500000000 ] - [ 0.0031756700000000, -0.0007405100000000, 0.0016261300000000 ] - [ -0.0014861000000000, 0.0002781700000000, -0.0006359700000000 ] - [ 0.0004413200000000, -0.0000819700000000, -0.0000895200000000 ] - [ 0.0006291500000000, -0.0006877600000000, 0.0003067200000000 ] - [ -0.0065584400000000, -0.0024322000000000, -0.0010813200000000 ] - [ 0.0022852400000000, -0.0013730900000000, 0.0014417800000000 ] - [ 0.0018108900000000, -0.0006709900000000, -0.0000644100000000 ] - [ -0.0024040400000000, 0.0015751500000000, 0.0001352500000000 ] - [ 0.0013430500000000, 0.0004506800000000, 0.0011252600000000 ] - [ 0.0004756800000000, -0.0005380000000000, 0.0001329400000000 ] - [ 0.0211372700000000, 0.0158305100000000, 0.0102527500000000 ] - [ 0.0067829000000000, -0.0055486500000000, -0.0035508600000000 ] - [ 0.0019595600000000, 0.0000717200000000, 0.0003166400000000 ] - [ -0.0015269100000000, -0.0009395800000000, -0.0009804900000000 ] - [ 0.0002976100000000, 0.0017243100000000, -0.0011482900000000 ] - [ 0.0013563900000000, 0.0000765100000000, 0.0002175500000000 ] - [ -0.0012660100000000, -0.0005558000000000, 0.0000270800000000 ] - [ -0.0007761000000000, -0.0014010300000000, 0.0008775300000000 ] - [ 0.0016338900000000, -0.0000586300000000, 0.0005013700000000 ] - [ -0.0007111200000000, -0.0005486200000000, -0.0000922100000000 ] - [ 0.0004264700000000, 0.0006383400000000, 0.0011677300000000 ] - [ 0.0011664600000000, 0.0000840700000000, 0.0002540000000000 ] - [ 0.0087894200000000, 0.0041459200000000, 0.0132375100000000 ] - [ -0.0011637700000000, -0.0002389300000000, -0.0020708000000000 ] - [ 0.0020675900000000, -0.0008523800000000, 0.0008498500000000 ] - [ -0.0008773600000000, 0.0005793900000000, -0.0001118000000000 ] - [ -0.0007248100000000, 0.0004820000000000, -0.0004116400000000 ] - [ 0.0010301500000000, -0.0004011400000000, 0.0003734000000000 ] - [ 0.0076774700000000, -0.0033786100000000, -0.0125934600000000 ] - [ 0.0106046200000000, -0.0064567000000000, 0.0077489600000000 ] - [ 0.0022120400000000, -0.0011320000000000, 0.0005721600000000 ] - [ -0.0017983900000000, 0.0017221000000000, -0.0004674500000000 ] - [ -0.0007055900000000, 0.0018568200000000, 0.0000702500000000 ] - [ 0.0014035300000000, -0.0005858200000000, 0.0003901800000000 ] - [ -0.0002591200000000, 0.0015948200000000, 0.0018862500000000 ] - [ -0.0009717900000000, -0.0008468800000000, -0.0006087600000000 ] - [ 0.0016023100000000, 0.0004184700000000, -0.0005940800000000 ] - [ -0.0008631400000000, -0.0018854500000000, 0.0010589200000000 ] - [ -0.0007196800000000, -0.0000435200000000, -0.0012948300000000 ] - [ 0.0015298500000000, 0.0003422000000000, -0.0005012400000000 ] - [ 0.0094038800000000, 0.0054868500000000, -0.0064329300000000 ] - [ -0.0014407900000000, -0.0020428200000000, 0.0005527800000000 ] - [ 0.0019933000000000, 0.0005275300000000, -0.0007204400000000 ] - [ -0.0014705000000000, -0.0022100600000000, -0.0007811700000000 ] - [ 0.0105534800000000, 0.0175370600000000, 0.0072809200000000 ] - [ 0.0019410600000000, 0.0005625900000000, -0.0005292400000000 ] - [ 0.0080015900000000, -0.0080426800000000, -0.0003784500000000 ] - [ 0.0088099900000000, 0.0054197500000000, -0.0103183500000000 ] - [ 0.0020520900000000, -0.0003733600000000, -0.0009343200000000 ] - [ -0.0012803700000000, 0.0035578800000000, -0.0000112300000000 ] - [ -0.0011872500000000, 0.0000881400000000, 0.0001363900000000 ] - [ 0.0013729000000000, 0.0001016600000000, -0.0005586200000000 ] - [ -0.0011611600000000, -0.0001955900000000, 0.0007257200000000 ] - [ -0.0009683300000000, -0.0000082900000000, 0.0024733900000000 ] - [ 0.0014919300000000, -0.0001509000000000, -0.0005413500000000 ] - [ -0.0009560000000000, 0.0016098400000000, -0.0001643700000000 ] - [ -0.0010429000000000, 0.0005788900000000, 0.0005964700000000 ] - [ 0.0009359700000000, 0.0001595600000000, -0.0004373700000000 ]- atom: 73 displacement: [ -0.0099999975103145, 0.0000000000000000, 0.0000070564653367 ] forces: - [ 0.0038396600000000, -0.0035339600000000, 0.0035139800000000 ] - [ -0.0050347800000000, -0.0007868500000000, 0.0011152000000000 ] - [ 0.0034968600000000, 0.0000974500000000, -0.0001084900000000 ] - [ 0.0008704800000000, 0.0018318500000000, 0.0006237600000000 ] - [ -0.0026236600000000, 0.0007217100000000, 0.0001237700000000 ] - [ 0.0022506000000000, 0.0001685000000000, 0.0000397900000000 ] - [ 0.0067209700000000, -0.0043329500000000, -0.0029597200000000 ] - [ -0.0465061500000000, -0.0265338200000000, -0.0205246800000000 ] - [ 0.0050821200000000, 0.0000363900000000, 0.0003261000000000 ] - [ 0.0013951200000000, 0.0043580800000000, 0.0000238900000000 ] - [ -0.0036399300000000, 0.0010904900000000, -0.0006927000000000 ] - [ 0.0031775800000000, 0.0000795900000000, 0.0005207700000000 ] - [ -0.0052284900000000, 0.0034117500000000, 0.0033204300000000 ] - [ 0.0000447900000000, -0.0005544600000000, -0.0005050300000000 ] - [ 0.0032629000000000, 0.0013470100000000, 0.0010826100000000 ] - [ -0.0031750800000000, 0.0002673200000000, 0.0009846600000000 ] - [ 0.0008598200000000, 0.0014292600000000, 0.0003501600000000 ] - [ 0.0022176200000000, 0.0005034200000000, -0.0000376900000000 ] - [ -0.0180697800000000, -0.0070675300000000, -0.0048874900000000 ] - [ 0.0060415500000000, -0.0051280300000000, 0.0010132600000000 ] - [ 0.0046193100000000, 0.0006605800000000, -0.0008211400000000 ] - [ -0.0070863000000000, 0.0024184200000000, 0.0000856200000000 ] - [ 0.0060789600000000, 0.0066009900000000, -0.0023987700000000 ] - [ 0.0029737800000000, 0.0003450400000000, -0.0006810800000000 ] - [ -0.0315504200000000, 0.0073626000000000, -0.0220545700000000 ] - [ 0.0073722800000000, -0.0023418700000000, -0.0062918800000000 ] - [ 0.0046778000000000, -0.0014565300000000, -0.0001556400000000 ] - [ -0.0033053600000000, 0.0013357400000000, 0.0002697800000000 ] - [ 0.0006364400000000, 0.0004301800000000, -0.0013563300000000 ] - [ 0.0024022800000000, -0.0001149400000000, 0.0000294000000000 ] - [ -0.0099544100000000, -0.0049225900000000, -0.0017099400000000 ] - [ 0.0044251100000000, -0.0009562000000000, 0.0068136700000000 ] - [ 0.0034768600000000, -0.0009204500000000, -0.0002843700000000 ] - [ -0.0030313200000000, 0.0013938800000000, 0.0005062600000000 ] - [ 0.0006144400000000, 0.0008147100000000, 0.0010336000000000 ] - [ 0.0023174900000000, 0.0001700900000000, -0.0003867700000000 ] - [ 0.0056373600000000, 0.0068481300000000, 0.0034439000000000 ] - [ -0.0059530800000000, -0.0042582700000000, -0.0037176400000000 ] - [ 0.0030823100000000, -0.0002825800000000, -0.0003223800000000 ] - [ 0.0018983100000000, -0.0043088600000000, 0.0015318800000000 ] - [ -0.0044597300000000, 0.0036965200000000, -0.0058818300000000 ] - [ 0.0027912600000000, 0.0006050700000000, -0.0005193400000000 ] - [ 0.0018362500000000, 0.0006211400000000, -0.0031031400000000 ] - [ -0.0031073700000000, -0.0008553200000000, 0.0014987600000000 ] - [ 0.0026063000000000, -0.0005306800000000, 0.0005112200000000 ] - [ -0.0003203900000000, -0.0011482200000000, -0.0001164500000000 ] - [ -0.0033683800000000, 0.0030798900000000, 0.0060751500000000 ] - [ 0.0026905900000000, 0.0003427900000000, 0.0007901400000000 ] - [ 0.0065741200000000, -0.0012565100000000, -0.0015864800000000 ] - [ -0.0026288400000000, 0.0014369600000000, 0.0010365100000000 ] - [ -0.0027524800000000, -0.0010305000000000, 0.0016792100000000 ] - [ 0.0074236100000000, -0.0075882500000000, 0.0020315400000000 ] - [ -0.0026559800000000, 0.0002484000000000, 0.0008218200000000 ] - [ -0.0024590100000000, 0.0017095900000000, 0.0010907300000000 ] - [ 0.0019093300000000, -0.0013163700000000, -0.0007570400000000 ] - [ -0.0009873500000000, 0.0004232100000000, 0.0002870400000000 ] - [ -0.0007202900000000, -0.0002956200000000, 0.0003253100000000 ] - [ 0.0015573400000000, -0.0008963300000000, -0.0012799100000000 ] - [ -0.0010016600000000, -0.0000009300000000, 0.0001245700000000 ] - [ -0.0011791500000000, 0.0010346400000000, -0.0000216500000000 ] - [ 0.0083279400000000, 0.0048121900000000, -0.0011785500000000 ] - [ -0.0020491600000000, -0.0005489600000000, 0.0014962200000000 ] - [ -0.0015817200000000, 0.0003427200000000, -0.0001309100000000 ] - [ 0.0014170200000000, 0.0000121100000000, -0.0005335000000000 ] - [ -0.0007415900000000, 0.0002950900000000, 0.0006913900000000 ] - [ -0.0007571600000000, -0.0004552000000000, 0.0000171200000000 ] - [ 0.0093327100000000, 0.0007933300000000, -0.0092190000000000 ] - [ -0.0021891200000000, -0.0002351800000000, 0.0001361000000000 ] - [ -0.0014336900000000, 0.0009878800000000, 0.0015228400000000 ] - [ 0.0016318100000000, 0.0001902400000000, -0.0005080700000000 ] - [ -0.0007316300000000, 0.0002236000000000, 0.0001928100000000 ] - [ -0.0018280500000000, -0.0011063400000000, 0.0010069300000000 ] - [ 0.1440400100000000, 0.0600197800000000, 0.0648780400000000 ] - [ -0.0025513600000000, -0.0005401300000000, -0.0005500500000000 ] - [ -0.0025572400000000, -0.0006098000000000, -0.0004520900000000 ] - [ 0.0017035500000000, -0.0004382300000000, 0.0009901200000000 ] - [ -0.0012974500000000, -0.0016166900000000, 0.0002989200000000 ] - [ -0.0013004700000000, -0.0009101300000000, -0.0004894400000000 ] - [ 0.0027007100000000, 0.0011732600000000, 0.0001062500000000 ] - [ -0.0015402600000000, 0.0001318900000000, -0.0016255500000000 ] - [ -0.0015431800000000, -0.0005578400000000, -0.0008606800000000 ] - [ 0.0011278400000000, 0.0000284500000000, 0.0001549200000000 ] - [ -0.0007740500000000, -0.0005099700000000, -0.0004226900000000 ] - [ -0.0007777200000000, -0.0005403500000000, -0.0002772100000000 ] - [ 0.0058195500000000, -0.0025401600000000, -0.0001629300000000 ] - [ -0.0018341700000000, 0.0010037500000000, 0.0011494400000000 ] - [ -0.0033242500000000, 0.0001347500000000, -0.0015464500000000 ] - [ 0.0013453500000000, -0.0008979700000000, 0.0007088600000000 ] - [ -0.0006151900000000, -0.0005319200000000, 0.0001675300000000 ] - [ -0.0007602600000000, 0.0000758500000000, -0.0002138000000000 ] - [ 0.0064112200000000, 0.0018454800000000, 0.0010553200000000 ] - [ -0.0024495100000000, 0.0007465700000000, -0.0013587800000000 ] - [ -0.0019361700000000, 0.0000566600000000, 0.0001593600000000 ] - [ 0.0022564200000000, -0.0021871100000000, -0.0000660600000000 ] - [ -0.0015112400000000, -0.0010610400000000, -0.0010412700000000 ] - [ -0.0006055300000000, -0.0000743900000000, -0.0000394300000000 ] - [ -0.0212911500000000, -0.0166829700000000, -0.0105073600000000 ] - [ -0.0065589200000000, 0.0048703900000000, 0.0034285300000000 ] - [ -0.0018161900000000, -0.0006902600000000, -0.0003857400000000 ] - [ 0.0016659700000000, 0.0003308100000000, 0.0008910900000000 ] - [ -0.0001340900000000, -0.0023320600000000, 0.0010630000000000 ] - [ -0.0012117800000000, -0.0006921200000000, -0.0002877100000000 ] - [ 0.0014092100000000, -0.0000603000000000, -0.0001126600000000 ] - [ 0.0009349500000000, 0.0007732200000000, -0.0009549300000000 ] - [ -0.0014901900000000, -0.0005588600000000, -0.0005733400000000 ] - [ 0.0008460800000000, -0.0000619900000000, -0.0000013300000000 ] - [ -0.0002545900000000, -0.0012504500000000, -0.0012417200000000 ] - [ -0.0010226400000000, -0.0006998400000000, -0.0003251800000000 ] - [ -0.0089029500000000, -0.0042892400000000, -0.0132316600000000 ] - [ 0.0010346500000000, 0.0001206300000000, 0.0019945500000000 ] - [ -0.0021944300000000, 0.0007139600000000, -0.0009082800000000 ] - [ 0.0007757900000000, -0.0007211500000000, 0.0000546800000000 ] - [ 0.0006029500000000, -0.0005936300000000, 0.0003442200000000 ] - [ -0.0011566200000000, 0.0002624400000000, -0.0004309300000000 ] - [ -0.0078414600000000, 0.0032374000000000, 0.0126468600000000 ] - [ -0.0106242500000000, 0.0062916200000000, -0.0077506400000000 ] - [ -0.0023344800000000, 0.0009914600000000, -0.0006264200000000 ] - [ 0.0016955200000000, -0.0018616700000000, 0.0004116400000000 ] - [ 0.0005750600000000, -0.0019566100000000, -0.0001410200000000 ] - [ -0.0015279000000000, 0.0004464100000000, -0.0004457700000000 ] - [ 0.0006120700000000, -0.0019687600000000, -0.0023949900000000 ] - [ 0.0012565700000000, 0.0004928600000000, 0.0001247100000000 ] - [ -0.0013057000000000, -0.0008037500000000, 0.0001019400000000 ] - [ 0.0012054000000000, 0.0015128000000000, -0.0015509700000000 ] - [ 0.0010088800000000, -0.0003068500000000, 0.0008031500000000 ] - [ -0.0012312700000000, -0.0007229000000000, 0.0000099400000000 ] - [ -0.0090489700000000, -0.0058127500000000, 0.0059162000000000 ] - [ 0.0017162300000000, 0.0016823100000000, -0.0010341700000000 ] - [ -0.0016944900000000, -0.0009120600000000, 0.0002303400000000 ] - [ 0.0018125600000000, 0.0018371900000000, 0.0002932400000000 ] - [ -0.0101428000000000, -0.0177377700000000, -0.0077050500000000 ] - [ -0.0016391000000000, -0.0009423500000000, 0.0000385500000000 ] - [ -0.0083278800000000, 0.0088349300000000, 0.0002574500000000 ] - [ -0.0090013200000000, -0.0046403600000000, 0.0101487200000000 ] - [ -0.0022917600000000, 0.0010942000000000, 0.0008601000000000 ] - [ 0.0010238000000000, -0.0028407900000000, -0.0000772400000000 ] - [ 0.0008913600000000, 0.0006420300000000, -0.0002014000000000 ] - [ -0.0016140100000000, 0.0006171700000000, 0.0004849900000000 ] - [ 0.0008964500000000, 0.0009260700000000, -0.0008253300000000 ] - [ 0.0006744900000000, 0.0007345500000000, -0.0025307700000000 ] - [ -0.0017303700000000, 0.0008718700000000, 0.0004667400000000 ] - [ 0.0006898500000000, -0.0008708800000000, 0.0000580300000000 ] - [ 0.0007534600000000, 0.0001505600000000, -0.0006656600000000 ] - [ -0.0011781500000000, 0.0005605900000000, 0.0003635800000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0013988600000000, 0.0001887800000000, 0.0012714500000000 ] - [ 0.0002212100000000, 0.0029910600000000, 0.0017064300000000 ] - [ -0.0013068900000000, 0.0004887300000000, 0.0000510000000000 ] - [ -0.0006732000000000, -0.0014063600000000, 0.0002402300000000 ] - [ 0.0014702900000000, -0.0018170600000000, -0.0004745100000000 ] - [ -0.0008357800000000, -0.0002249400000000, 0.0000010500000000 ] - [ 0.0007557400000000, 0.0047291600000000, -0.0023348100000000 ] - [ 0.0374640700000000, 0.0441115900000000, 0.0213939400000000 ] - [ -0.0021314700000000, 0.0008703800000000, -0.0001267600000000 ] - [ -0.0030558100000000, -0.0062992500000000, -0.0020703000000000 ] - [ 0.0055320500000000, -0.0077392400000000, 0.0029448600000000 ] - [ -0.0011746800000000, -0.0005089600000000, -0.0002016200000000 ] - [ -0.0015682800000000, 0.0033484700000000, -0.0013918500000000 ] - [ 0.0006177400000000, 0.0020643000000000, 0.0000500700000000 ] - [ -0.0012476400000000, 0.0012364700000000, -0.0005312400000000 ] - [ 0.0015723600000000, -0.0012283400000000, 0.0008351300000000 ] - [ -0.0011568800000000, -0.0005274100000000, -0.0000806400000000 ] - [ -0.0003322400000000, 0.0001029400000000, 0.0002021800000000 ] - [ -0.0048203400000000, 0.0210846500000000, 0.0049620900000000 ] - [ 0.0008761700000000, 0.0045014100000000, 0.0027267800000000 ] - [ -0.0027306800000000, 0.0018927100000000, 0.0000495700000000 ] - [ 0.0080676800000000, -0.0077718800000000, -0.0039924300000000 ] - [ -0.0045565100000000, -0.0039809200000000, 0.0007212300000000 ] - [ -0.0006459100000000, -0.0003152000000000, 0.0000954900000000 ] - [ -0.0054848400000000, 0.0241739500000000, -0.0166196500000000 ] - [ -0.0032509600000000, 0.0054651500000000, 0.0019089700000000 ] - [ -0.0009565000000000, 0.0011263700000000, -0.0001499000000000 ] - [ 0.0005503000000000, -0.0060401000000000, -0.0011928300000000 ] - [ 0.0003307000000000, -0.0032637100000000, 0.0004051800000000 ] - [ -0.0011645700000000, -0.0014953100000000, -0.0004915000000000 ] - [ 0.0029938400000000, 0.0083814900000000, 0.0010941200000000 ] - [ -0.0027364300000000, 0.0011587000000000, -0.0035248300000000 ] - [ -0.0010412100000000, 0.0006767600000000, 0.0006074900000000 ] - [ 0.0013806600000000, -0.0049301200000000, 0.0004725700000000 ] - [ 0.0002150900000000, -0.0023581800000000, 0.0000894200000000 ] - [ -0.0015802500000000, -0.0020553900000000, 0.0005972300000000 ] - [ -0.0038004600000000, -0.0033446300000000, -0.0034631800000000 ] - [ 0.0077326400000000, -0.0035114300000000, -0.0080008500000000 ] - [ -0.0007062300000000, 0.0001728300000000, -0.0001398900000000 ] - [ 0.0017026200000000, -0.0013161100000000, 0.0006065400000000 ] - [ -0.0021580700000000, -0.0052387100000000, 0.0068613300000000 ] - [ -0.0012598300000000, -0.0003055000000000, 0.0003993400000000 ] - [ -0.0032187000000000, 0.0013886100000000, 0.0052952100000000 ] - [ 0.0043302800000000, -0.0014463500000000, 0.0021977400000000 ] - [ -0.0008717100000000, 0.0003655700000000, -0.0000559700000000 ] - [ 0.0008140500000000, -0.0000967600000000, -0.0004363900000000 ] - [ 0.0005731000000000, -0.0029841300000000, -0.0043952500000000 ] - [ -0.0012629400000000, -0.0002044600000000, -0.0003922400000000 ] - [ -0.0067904100000000, 0.0198593200000000, 0.0024234000000000 ] - [ 0.0002060100000000, -0.0004676700000000, -0.0000789300000000 ] - [ 0.0020509100000000, 0.0000154000000000, -0.0002350500000000 ] - [ -0.0022374900000000, 0.0214343700000000, 0.0004690700000000 ] - [ 0.0014165400000000, -0.0004837100000000, -0.0000496900000000 ] - [ -0.0007475400000000, -0.0001443300000000, 0.0007759400000000 ] - [ -0.0005668800000000, 0.0004299400000000, -0.0004391600000000 ] - [ 0.0000403500000000, -0.0003467900000000, 0.0002207300000000 ] - [ 0.0003273700000000, -0.0003520400000000, -0.0000931300000000 ] - [ -0.0008126900000000, 0.0005213800000000, 0.0008421200000000 ] - [ 0.0003808500000000, -0.0002857000000000, 0.0002730100000000 ] - [ -0.0003358400000000, 0.0000677800000000, -0.0000380900000000 ] - [ -0.0005590800000000, -0.0001564500000000, -0.0048006000000000 ] - [ 0.0008689700000000, 0.0003617300000000, -0.0004435000000000 ] - [ -0.0005533000000000, -0.0001236900000000, -0.0000610200000000 ] - [ 0.0000066600000000, 0.0021558400000000, 0.0015161900000000 ] - [ 0.0004406200000000, 0.0006247200000000, -0.0001545700000000 ] - [ 0.0007811700000000, 0.0009409900000000, 0.0001496100000000 ] - [ -0.0049016300000000, 0.0002379200000000, 0.0098328100000000 ] - [ 0.0013250800000000, 0.0003813200000000, -0.0000029900000000 ] - [ 0.0000097300000000, -0.0001521100000000, 0.0000323800000000 ] - [ -0.0002445600000000, 0.0024029900000000, -0.0008386100000000 ] - [ 0.0003602300000000, 0.0006640500000000, -0.0001058900000000 ] - [ 0.0031470000000000, 0.0025011500000000, -0.0011061500000000 ] - [ -0.0610616000000000, -0.1331172300000000, 0.0011668200000000 ] - [ 0.0005984800000000, -0.0009769800000000, 0.0001912400000000 ] - [ 0.0005357300000000, -0.0009847200000000, 0.0001577000000000 ] - [ 0.0004317000000000, 0.0047271900000000, -0.0003970400000000 ] - [ 0.0009003100000000, 0.0014090000000000, -0.0001896300000000 ] - [ 0.0016077600000000, 0.0013919800000000, 0.0007893200000000 ] - [ -0.0011855300000000, -0.0022602700000000, -0.0005911100000000 ] - [ 0.0005474100000000, -0.0006005200000000, 0.0008313000000000 ] - [ -0.0001354000000000, -0.0006089100000000, -0.0001680100000000 ] - [ -0.0000314300000000, 0.0010064000000000, -0.0002528700000000 ] - [ 0.0005294000000000, 0.0005683200000000, 0.0000743700000000 ] - [ 0.0005049500000000, 0.0005555100000000, 0.0000026400000000 ] - [ 0.0010234300000000, -0.0007442900000000, 0.0085555100000000 ] - [ 0.0003012700000000, -0.0013449600000000, -0.0001177000000000 ] - [ 0.0016390200000000, -0.0011792900000000, 0.0012315300000000 ] - [ -0.0013372500000000, 0.0017694600000000, -0.0009658900000000 ] - [ 0.0001395700000000, 0.0002322600000000, 0.0000889500000000 ] - [ -0.0002364500000000, 0.0001075000000000, 0.0000755600000000 ] - [ -0.0029536300000000, -0.0013763800000000, -0.0121515300000000 ] - [ 0.0007064200000000, -0.0013716900000000, 0.0000200100000000 ] - [ 0.0016148300000000, -0.0014592200000000, -0.0000848700000000 ] - [ -0.0014276400000000, 0.0022469000000000, 0.0011388400000000 ] - [ 0.0005951500000000, 0.0004846100000000, 0.0007485200000000 ] - [ -0.0002162800000000, 0.0002546300000000, 0.0000895000000000 ] - [ 0.0160214100000000, 0.0024275800000000, 0.0106578100000000 ] - [ -0.0048130500000000, -0.0021080900000000, 0.0003050000000000 ] - [ 0.0006777500000000, -0.0005728400000000, 0.0003052200000000 ] - [ -0.0007829900000000, 0.0014490900000000, -0.0009904300000000 ] - [ 0.0016937400000000, 0.0022391200000000, -0.0006447700000000 ] - [ 0.0006785600000000, 0.0001666500000000, 0.0000366400000000 ] - [ -0.0001506900000000, -0.0021695900000000, -0.0011963000000000 ] - [ -0.0010982800000000, -0.0015283900000000, 0.0000014200000000 ] - [ 0.0005612100000000, -0.0004888400000000, 0.0001145700000000 ] - [ -0.0001783700000000, 0.0005038600000000, -0.0002972500000000 ] - [ 0.0006733300000000, 0.0007962100000000, 0.0006324900000000 ] - [ 0.0006003100000000, 0.0002294800000000, -0.0000816700000000 ] - [ -0.0042412600000000, -0.0024583100000000, -0.0073714500000000 ] - [ 0.0001168600000000, -0.0013924000000000, -0.0004887400000000 ] - [ 0.0007198700000000, -0.0006811800000000, 0.0002400300000000 ] - [ -0.0007047000000000, 0.0011756600000000, -0.0000135900000000 ] - [ -0.0005959200000000, 0.0009376900000000, -0.0002108400000000 ] - [ 0.0002674900000000, 0.0000989700000000, 0.0001865700000000 ] - [ 0.0032763200000000, -0.0073452600000000, -0.0032622800000000 ] - [ 0.0063286600000000, -0.0089640900000000, 0.0039916500000000 ] - [ 0.0009976100000000, -0.0009264900000000, 0.0001384300000000 ] - [ -0.0018450000000000, 0.0033992700000000, 0.0002339000000000 ] - [ -0.0019534800000000, 0.0028731800000000, -0.0007275800000000 ] - [ 0.0004515400000000, 0.0001840300000000, 0.0002593300000000 ] - [ 0.0002503500000000, 0.0003091900000000, 0.0010120000000000 ] - [ -0.0008117700000000, -0.0004007800000000, 0.0003836200000000 ] - [ 0.0006507100000000, 0.0000011000000000, -0.0003237900000000 ] - [ -0.0002608600000000, 0.0000520500000000, -0.0007550800000000 ] - [ 0.0008393100000000, 0.0005090500000000, -0.0015504700000000 ] - [ 0.0005401300000000, 0.0000258600000000, -0.0003547400000000 ] - [ 0.0173801000000000, 0.0120388700000000, -0.0114588400000000 ] - [ -0.0020191300000000, -0.0008900900000000, -0.0005252700000000 ] - [ 0.0009909000000000, 0.0000996900000000, -0.0004715100000000 ] - [ -0.0016849900000000, -0.0011291400000000, 0.0007533200000000 ] - [ 0.0063148800000000, 0.0116165400000000, 0.0041539900000000 ] - [ 0.0008281000000000, 0.0000912300000000, -0.0003316900000000 ] - [ -0.0056869200000000, 0.0015228300000000, -0.0009671300000000 ] - [ 0.0083326800000000, 0.0011473800000000, -0.0074276700000000 ] - [ 0.0006361100000000, -0.0000583400000000, -0.0003457100000000 ] - [ -0.0003019200000000, 0.0030489200000000, 0.0008533300000000 ] - [ -0.0026307500000000, 0.0024085400000000, 0.0007714400000000 ] - [ 0.0004486400000000, 0.0004274900000000, -0.0001509500000000 ] - [ 0.0000756800000000, -0.0004147700000000, -0.0005410200000000 ] - [ 0.0004820400000000, -0.0003828600000000, 0.0010256900000000 ] - [ 0.0005277100000000, 0.0000566200000000, -0.0002709900000000 ] - [ -0.0005789600000000, 0.0018591000000000, -0.0011807200000000 ] - [ -0.0009504700000000, 0.0009596900000000, 0.0001167900000000 ] - [ 0.0003547700000000, 0.0003311600000000, -0.0002837900000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0014409700000000, 0.0000973300000000, -0.0013010800000000 ] - [ -0.0001832800000000, -0.0027295100000000, -0.0017436200000000 ] - [ 0.0012933800000000, -0.0002334600000000, -0.0000465100000000 ] - [ 0.0006763800000000, 0.0016585700000000, -0.0002476800000000 ] - [ -0.0014601700000000, 0.0020634600000000, 0.0004725800000000 ] - [ 0.0008222900000000, 0.0004771300000000, 0.0000057400000000 ] - [ -0.0007950300000000, -0.0044614500000000, 0.0023594400000000 ] - [ -0.0355572900000000, -0.0428269600000000, -0.0201254800000000 ] - [ 0.0021162800000000, -0.0006145000000000, 0.0001340900000000 ] - [ 0.0030942100000000, 0.0065896700000000, 0.0020974900000000 ] - [ -0.0055849600000000, 0.0080428700000000, -0.0029946700000000 ] - [ 0.0011601000000000, 0.0007620200000000, 0.0002074700000000 ] - [ 0.0015643100000000, -0.0019159600000000, 0.0013470200000000 ] - [ -0.0006123400000000, -0.0005957800000000, -0.0000569000000000 ] - [ 0.0012520900000000, 0.0002288600000000, 0.0005321600000000 ] - [ -0.0015761100000000, 0.0027215000000000, -0.0008412700000000 ] - [ 0.0011583300000000, 0.0020066300000000, 0.0000799900000000 ] - [ 0.0003357400000000, 0.0013778000000000, -0.0002019300000000 ] - [ 0.0037729700000000, -0.0210795900000000, -0.0040534700000000 ] - [ -0.0008754300000000, -0.0030378800000000, -0.0026977600000000 ] - [ 0.0027442000000000, -0.0004321300000000, -0.0000467600000000 ] - [ -0.0080297600000000, 0.0092561700000000, 0.0039724200000000 ] - [ 0.0045491300000000, 0.0054646800000000, -0.0007229300000000 ] - [ 0.0006525700000000, 0.0017987700000000, -0.0000942800000000 ] - [ 0.0053258600000000, -0.0255752400000000, 0.0164584700000000 ] - [ 0.0032686700000000, -0.0064875600000000, -0.0019082500000000 ] - [ 0.0009573800000000, -0.0021716900000000, 0.0001446000000000 ] - [ -0.0005446000000000, 0.0050202500000000, 0.0012323900000000 ] - [ -0.0003429200000000, 0.0022267900000000, -0.0003957700000000 ] - [ 0.0011792000000000, 0.0004590200000000, 0.0004908300000000 ] - [ -0.0029805900000000, -0.0094171400000000, -0.0010817200000000 ] - [ 0.0027312200000000, -0.0022063100000000, 0.0035117600000000 ] - [ 0.0010460700000000, -0.0017212900000000, -0.0006188700000000 ] - [ -0.0013950700000000, 0.0039073000000000, -0.0004885400000000 ] - [ -0.0002221000000000, 0.0013161100000000, -0.0000993100000000 ] - [ 0.0016000300000000, 0.0010250200000000, -0.0006104600000000 ] - [ 0.0037902000000000, 0.0034255500000000, 0.0034780600000000 ] - [ -0.0077874600000000, 0.0035144300000000, 0.0080868500000000 ] - [ 0.0007332900000000, -0.0000945300000000, 0.0001292300000000 ] - [ -0.0017161900000000, 0.0014487900000000, -0.0006107800000000 ] - [ 0.0021319600000000, 0.0053565700000000, -0.0068090700000000 ] - [ 0.0012830400000000, 0.0003918300000000, -0.0004092600000000 ] - [ 0.0032356300000000, -0.0013177900000000, -0.0053359500000000 ] - [ -0.0043547100000000, 0.0015270300000000, -0.0022024100000000 ] - [ 0.0008961700000000, -0.0002805400000000, 0.0000402800000000 ] - [ -0.0008127500000000, 0.0002058800000000, 0.0004314400000000 ] - [ -0.0006030000000000, 0.0030791200000000, 0.0043983000000000 ] - [ 0.0012881400000000, 0.0002940000000000, 0.0003779700000000 ] - [ 0.0066056700000000, -0.0206455100000000, -0.0019759000000000 ] - [ -0.0005013200000000, 0.0001198500000000, 0.0005624200000000 ] - [ -0.0023997300000000, -0.0003816100000000, 0.0007178500000000 ] - [ 0.0019533300000000, -0.0215529100000000, 0.0000262400000000 ] - [ -0.0017082400000000, 0.0001300400000000, 0.0005334700000000 ] - [ 0.0004221700000000, -0.0002386500000000, -0.0002955100000000 ] - [ 0.0002619700000000, -0.0008025100000000, 0.0009391400000000 ] - [ -0.0003366300000000, -0.0000026000000000, 0.0002646100000000 ] - [ -0.0006654800000000, -0.0000161100000000, 0.0005799900000000 ] - [ 0.0005149800000000, -0.0009106700000000, -0.0003436500000000 ] - [ -0.0006759700000000, -0.0000659200000000, 0.0002122300000000 ] - [ 0.0000059200000000, -0.0004495000000000, 0.0005248100000000 ] - [ 0.0007581600000000, 0.0008300300000000, 0.0048885300000000 ] - [ -0.0005893800000000, 0.0003613300000000, 0.0005147600000000 ] - [ 0.0008347900000000, 0.0008603300000000, 0.0001558600000000 ] - [ 0.0002397200000000, -0.0014309700000000, -0.0014627000000000 ] - [ -0.0001573700000000, 0.0001029000000000, 0.0002235600000000 ] - [ -0.0005118700000000, -0.0002043600000000, -0.0000543200000000 ] - [ 0.0051264000000000, 0.0004847400000000, -0.0097194700000000 ] - [ -0.0010422200000000, 0.0003441000000000, 0.0000730800000000 ] - [ 0.0002663600000000, 0.0008849700000000, 0.0000588200000000 ] - [ 0.0004897100000000, -0.0016808200000000, 0.0009292900000000 ] - [ -0.0000762400000000, 0.0000626500000000, 0.0001775100000000 ] - [ -0.0029025400000000, -0.0017791100000000, 0.0012122300000000 ] - [ 0.0606010800000000, 0.1338683600000000, -0.0032547300000000 ] - [ -0.0004838200000000, 0.0008598700000000, -0.0001291100000000 ] - [ -0.0004247400000000, 0.0008521200000000, -0.0000983700000000 ] - [ -0.0003125200000000, -0.0048825600000000, 0.0004501800000000 ] - [ -0.0007821900000000, -0.0015265700000000, 0.0002557100000000 ] - [ -0.0015175000000000, -0.0015436800000000, -0.0007385200000000 ] - [ 0.0013103400000000, 0.0021219300000000, 0.0006606700000000 ] - [ -0.0004317800000000, 0.0004832700000000, -0.0007638600000000 ] - [ 0.0002511100000000, 0.0004750000000000, 0.0002314400000000 ] - [ 0.0001609500000000, -0.0011474500000000, 0.0003148000000000 ] - [ -0.0004119200000000, -0.0006862000000000, -0.0000068100000000 ] - [ -0.0004000800000000, -0.0006990200000000, 0.0000573400000000 ] - [ -0.0011718500000000, 0.0002061200000000, -0.0084589300000000 ] - [ -0.0004771900000000, 0.0007283600000000, 0.0001984100000000 ] - [ -0.0017734300000000, 0.0005750900000000, -0.0011446900000000 ] - [ 0.0011958600000000, -0.0023963400000000, 0.0010276000000000 ] - [ -0.0003096800000000, -0.0008531300000000, -0.0000119300000000 ] - [ 0.0001042900000000, -0.0007232700000000, 0.0000162500000000 ] - [ 0.0028358900000000, 0.0008177400000000, 0.0122835100000000 ] - [ -0.0008774900000000, 0.0007531000000000, 0.0000579500000000 ] - [ -0.0017538700000000, 0.0008582600000000, 0.0001782400000000 ] - [ 0.0012898000000000, -0.0028685800000000, -0.0010580200000000 ] - [ -0.0007648500000000, -0.0011048000000000, -0.0006681200000000 ] - [ 0.0000821100000000, -0.0008714400000000, 0.0000029400000000 ] - [ -0.0159751300000000, -0.0029482000000000, -0.0108417400000000 ] - [ 0.0049544800000000, 0.0015229300000000, -0.0003853400000000 ] - [ -0.0005359800000000, -0.0000418600000000, -0.0003779000000000 ] - [ 0.0009048300000000, -0.0020716600000000, 0.0008883300000000 ] - [ -0.0015136900000000, -0.0028573200000000, 0.0005634200000000 ] - [ -0.0005381600000000, -0.0007862600000000, -0.0001079500000000 ] - [ 0.0002920900000000, 0.0015694000000000, 0.0011261000000000 ] - [ 0.0012706800000000, 0.0009117100000000, -0.0000754400000000 ] - [ -0.0004189200000000, -0.0001269800000000, -0.0001854100000000 ] - [ 0.0003089900000000, -0.0011228400000000, 0.0002085000000000 ] - [ -0.0005011300000000, -0.0014166300000000, -0.0007098600000000 ] - [ -0.0004601700000000, -0.0008500400000000, 0.0000115700000000 ] - [ 0.0042046200000000, 0.0023894900000000, 0.0074252500000000 ] - [ -0.0002416600000000, 0.0012762500000000, 0.0004250700000000 ] - [ -0.0008465500000000, 0.0005444900000000, -0.0002961100000000 ] - [ 0.0005963900000000, -0.0013203400000000, -0.0000507200000000 ] - [ 0.0004804400000000, -0.0010554000000000, 0.0001428000000000 ] - [ -0.0003957500000000, -0.0002382800000000, -0.0002452000000000 ] - [ -0.0033350200000000, 0.0072461400000000, 0.0031585300000000 ] - [ -0.0064252500000000, 0.0087731500000000, -0.0040498300000000 ] - [ -0.0011257200000000, 0.0007906000000000, -0.0001948000000000 ] - [ 0.0017391300000000, -0.0035481300000000, -0.0002874900000000 ] - [ 0.0018617000000000, -0.0030068100000000, 0.0006764800000000 ] - [ -0.0005805100000000, -0.0003253300000000, -0.0003180400000000 ] - [ 0.0000945200000000, -0.0006662000000000, -0.0015008600000000 ] - [ 0.0011034500000000, 0.0000589900000000, -0.0008652900000000 ] - [ -0.0003542000000000, -0.0003829500000000, -0.0001672100000000 ] - [ 0.0005954300000000, -0.0004383600000000, 0.0002759300000000 ] - [ -0.0005531300000000, -0.0008665200000000, 0.0010664400000000 ] - [ -0.0002444300000000, -0.0004107300000000, -0.0001350300000000 ] - [ -0.0172476300000000, -0.0125961200000000, 0.0110923500000000 ] - [ 0.0023283500000000, 0.0005493100000000, 0.0000465000000000 ] - [ -0.0006953400000000, -0.0004817300000000, -0.0000188200000000 ] - [ 0.0020103500000000, 0.0007365200000000, -0.0012373400000000 ] - [ -0.0060368900000000, -0.0119542700000000, -0.0046526800000000 ] - [ -0.0005313500000000, -0.0004758100000000, -0.0001589200000000 ] - [ 0.0054518800000000, -0.0008306700000000, 0.0008237500000000 ] - [ -0.0085891900000000, -0.0004301800000000, 0.0073221500000000 ] - [ -0.0008772400000000, 0.0007781800000000, 0.0002721400000000 ] - [ 0.0000232600000000, -0.0023128400000000, -0.0009617000000000 ] - [ 0.0023733000000000, -0.0016908900000000, -0.0008548000000000 ] - [ -0.0006928900000000, 0.0002940700000000, 0.0000775200000000 ] - [ -0.0003506200000000, 0.0011473100000000, 0.0004521600000000 ] - [ -0.0007681900000000, 0.0011073500000000, -0.0010893500000000 ] - [ -0.0007697000000000, 0.0006643400000000, 0.0001981800000000 ] - [ 0.0003080500000000, -0.0011267900000000, 0.0010992300000000 ] - [ 0.0006684600000000, -0.0002314900000000, -0.0001852500000000 ] - [ -0.0006007900000000, 0.0003916800000000, 0.0002120800000000 ]- atom: 73 displacement: [ -0.0000724750264154, 0.0000000000000000, 0.0099997373650784 ] forces: - [ -0.0062356600000000, 0.0053460100000000, -0.0065198300000000 ] - [ 0.0056851100000000, 0.0003405600000000, -0.0086282300000000 ] - [ -0.0011609500000000, 0.0000976100000000, -0.0006567500000000 ] - [ -0.0006642600000000, -0.0008252400000000, -0.0016266800000000 ] - [ 0.0008151500000000, -0.0005943100000000, -0.0015691100000000 ] - [ -0.0006705100000000, 0.0000359900000000, -0.0003085800000000 ] - [ 0.0013126700000000, -0.0035674400000000, 0.0085943200000000 ] - [ 0.0260031600000000, 0.0190069800000000, 0.0266845000000000 ] - [ -0.0017702600000000, 0.0002875100000000, 0.0006205600000000 ] - [ 0.0015499900000000, 0.0015291700000000, 0.0027938000000000 ] - [ 0.0005016300000000, 0.0011312500000000, 0.0016870800000000 ] - [ -0.0010245800000000, 0.0000644400000000, 0.0001502600000000 ] - [ 0.0015667200000000, -0.0049129100000000, -0.0117251500000000 ] - [ 0.0008555800000000, 0.0009866800000000, -0.0020973100000000 ] - [ -0.0016319100000000, -0.0000812000000000, -0.0010472200000000 ] - [ 0.0010444600000000, 0.0026970300000000, -0.0027686100000000 ] - [ 0.0003502500000000, 0.0011778500000000, -0.0011631000000000 ] - [ -0.0012132100000000, 0.0013013900000000, -0.0002982100000000 ] - [ 0.0041749700000000, -0.0075067300000000, 0.0189162000000000 ] - [ -0.0029574400000000, 0.0031052900000000, 0.0038204600000000 ] - [ -0.0006383600000000, 0.0006369600000000, 0.0013976700000000 ] - [ 0.0021834100000000, 0.0005176700000000, 0.0028279400000000 ] - [ -0.0034723200000000, -0.0020831700000000, 0.0026136300000000 ] - [ -0.0009298100000000, 0.0012268300000000, 0.0005575600000000 ] - [ 0.0201427000000000, -0.0192279400000000, 0.0447152500000000 ] - [ 0.0010264400000000, 0.0009664800000000, 0.0019362100000000 ] - [ -0.0025295600000000, -0.0005625900000000, 0.0011560400000000 ] - [ 0.0006467500000000, -0.0005206900000000, 0.0013569300000000 ] - [ -0.0000248300000000, -0.0008093200000000, 0.0009850800000000 ] - [ -0.0008236200000000, -0.0005321500000000, 0.0006285800000000 ] - [ 0.0061326800000000, -0.0025157000000000, -0.0123486900000000 ] - [ -0.0034844800000000, -0.0008821600000000, -0.0045791300000000 ] - [ -0.0006064900000000, -0.0007585200000000, -0.0013807800000000 ] - [ 0.0012205500000000, 0.0001723900000000, -0.0019574600000000 ] - [ -0.0005729600000000, -0.0010730700000000, -0.0010088600000000 ] - [ -0.0001136300000000, -0.0000920100000000, -0.0006302900000000 ] - [ -0.0030707400000000, -0.0040228000000000, 0.0000844600000000 ] - [ 0.0058499000000000, -0.0077755100000000, 0.0035578600000000 ] - [ -0.0006896900000000, -0.0001290600000000, 0.0004074100000000 ] - [ -0.0024529000000000, 0.0039955100000000, -0.0003204500000000 ] - [ 0.0042287000000000, 0.0040241300000000, 0.0041792000000000 ] - [ -0.0007910900000000, 0.0001352800000000, 0.0005171400000000 ] - [ 0.0016572600000000, -0.0004116500000000, -0.0033575600000000 ] - [ -0.0038291700000000, 0.0049621700000000, -0.0044530700000000 ] - [ -0.0008780500000000, 0.0002533100000000, -0.0005374200000000 ] - [ 0.0005873800000000, 0.0000643500000000, -0.0009572200000000 ] - [ 0.0001657600000000, -0.0034104200000000, -0.0052750200000000 ] - [ -0.0011141700000000, -0.0000719500000000, -0.0006298100000000 ] - [ 0.0016405900000000, -0.0015214000000000, -0.0050799000000000 ] - [ 0.0006875700000000, -0.0005849300000000, -0.0004602200000000 ] - [ 0.0005509600000000, 0.0004712500000000, -0.0012047200000000 ] - [ -0.0025999500000000, 0.0006526800000000, -0.0057715400000000 ] - [ 0.0008175900000000, -0.0006320900000000, -0.0004334400000000 ] - [ 0.0010505100000000, -0.0005868200000000, -0.0012052600000000 ] - [ -0.0023395600000000, 0.0006373300000000, 0.0042041100000000 ] - [ -0.0000899500000000, -0.0002740100000000, 0.0005936200000000 ] - [ -0.0001568600000000, 0.0000085300000000, 0.0008710900000000 ] - [ -0.0012728800000000, -0.0003081500000000, 0.0035509600000000 ] - [ 0.0000301600000000, -0.0002034300000000, 0.0006243200000000 ] - [ 0.0006294200000000, -0.0015152400000000, 0.0012697200000000 ] - [ -0.0085590200000000, -0.0090717600000000, 0.0098124600000000 ] - [ 0.0002100800000000, 0.0003213600000000, -0.0001481900000000 ] - [ 0.0020054600000000, 0.0004159200000000, -0.0003330200000000 ] - [ -0.0002789300000000, 0.0016572200000000, 0.0002056300000000 ] - [ 0.0003224700000000, 0.0004986500000000, -0.0001999400000000 ] - [ 0.0006160900000000, 0.0008808000000000, -0.0000116500000000 ] - [ -0.0017094300000000, 0.0054287100000000, 0.0095596600000000 ] - [ 0.0015235700000000, 0.0007492500000000, -0.0000927300000000 ] - [ 0.0000353200000000, 0.0004656500000000, -0.0000915600000000 ] - [ -0.0001368100000000, -0.0014394600000000, 0.0000299500000000 ] - [ 0.0005770000000000, 0.0004058900000000, 0.0000134900000000 ] - [ -0.0010104700000000, -0.0004763800000000, 0.0002169200000000 ] - [ -0.0630397300000000, 0.0020651300000000, -0.1425621600000000 ] - [ 0.0005180600000000, 0.0000647300000000, -0.0008552300000000 ] - [ 0.0006142500000000, 0.0000827600000000, -0.0008575900000000 ] - [ -0.0008812000000000, -0.0004933200000000, -0.0010159600000000 ] - [ 0.0005649900000000, 0.0006915000000000, -0.0003905000000000 ] - [ -0.0002227300000000, -0.0002957400000000, -0.0003986400000000 ] - [ 0.0000110500000000, -0.0006827000000000, 0.0052312700000000 ] - [ 0.0009368300000000, -0.0002555200000000, 0.0015322300000000 ] - [ 0.0016958600000000, 0.0007192200000000, 0.0015306800000000 ] - [ -0.0000540100000000, -0.0003502800000000, 0.0008645600000000 ] - [ 0.0003582200000000, -0.0000874600000000, 0.0005379100000000 ] - [ 0.0005000800000000, -0.0000325400000000, 0.0005351300000000 ] - [ -0.0018291900000000, 0.0114433300000000, 0.0156477200000000 ] - [ -0.0000322200000000, -0.0004056900000000, -0.0000034100000000 ] - [ 0.0018658300000000, -0.0001512500000000, 0.0005036900000000 ] - [ -0.0002156500000000, -0.0013246800000000, -0.0002383600000000 ] - [ 0.0000233700000000, -0.0003670400000000, -0.0001057100000000 ] - [ 0.0004959700000000, -0.0007868400000000, 0.0000610400000000 ] - [ -0.0000391500000000, -0.0086967700000000, 0.0160365900000000 ] - [ 0.0010025200000000, -0.0010342100000000, 0.0003403900000000 ] - [ -0.0010672400000000, -0.0000965700000000, 0.0002427400000000 ] - [ -0.0013774900000000, 0.0009372200000000, -0.0001179300000000 ] - [ 0.0006570000000000, 0.0000538500000000, 0.0005955300000000 ] - [ 0.0000152400000000, -0.0005178300000000, 0.0001640900000000 ] - [ 0.0103165200000000, 0.0104206100000000, -0.0055510500000000 ] - [ -0.0027444900000000, 0.0000357100000000, -0.0025756400000000 ] - [ 0.0006077000000000, 0.0000464200000000, -0.0003669400000000 ] - [ -0.0007002400000000, -0.0011864400000000, -0.0009863200000000 ] - [ -0.0001046900000000, 0.0001436800000000, -0.0010207500000000 ] - [ 0.0004318400000000, -0.0002394800000000, -0.0001247000000000 ] - [ -0.0001151000000000, -0.0010601300000000, 0.0057808400000000 ] - [ 0.0009523300000000, -0.0006456400000000, 0.0019062800000000 ] - [ 0.0006631700000000, -0.0002368300000000, 0.0005532000000000 ] - [ -0.0002115700000000, -0.0007726100000000, 0.0006439400000000 ] - [ 0.0003340900000000, 0.0000415300000000, 0.0010194600000000 ] - [ 0.0004453900000000, -0.0004177200000000, 0.0003375300000000 ] - [ 0.0130736200000000, 0.0072502800000000, 0.0239397500000000 ] - [ -0.0020706100000000, 0.0003952700000000, 0.0000288500000000 ] - [ 0.0007976400000000, -0.0003308800000000, 0.0004072000000000 ] - [ -0.0001289500000000, -0.0000911800000000, 0.0001316800000000 ] - [ -0.0004277700000000, 0.0001143800000000, -0.0001029700000000 ] - [ 0.0003286500000000, -0.0002804000000000, 0.0000809100000000 ] - [ -0.0127595300000000, 0.0031596300000000, 0.0047074600000000 ] - [ 0.0076091500000000, -0.0040207200000000, 0.0040987500000000 ] - [ 0.0005160300000000, -0.0002277700000000, 0.0000888400000000 ] - [ -0.0004798200000000, -0.0003432500000000, -0.0004616900000000 ] - [ 0.0000483600000000, 0.0006292600000000, 0.0000215500000000 ] - [ 0.0003413600000000, -0.0003523500000000, -0.0000110600000000 ] - [ 0.0011971600000000, 0.0021210200000000, 0.0004386800000000 ] - [ -0.0012354800000000, 0.0003120100000000, 0.0007567600000000 ] - [ 0.0007007400000000, 0.0001620400000000, -0.0003251400000000 ] - [ 0.0000935900000000, -0.0021012800000000, 0.0009852200000000 ] - [ -0.0018409000000000, -0.0011763100000000, 0.0005250200000000 ] - [ 0.0006694200000000, -0.0000699300000000, -0.0002366600000000 ] - [ -0.0082263000000000, -0.0048620600000000, 0.0059494600000000 ] - [ 0.0009682500000000, -0.0012800000000000, -0.0009437400000000 ] - [ 0.0005932200000000, -0.0000145700000000, -0.0004809300000000 ] - [ -0.0005673000000000, 0.0000460000000000, -0.0011600600000000 ] - [ 0.0058795200000000, 0.0100057500000000, 0.0048520800000000 ] - [ 0.0007350600000000, 0.0000223300000000, -0.0004693200000000 ] - [ 0.0096274500000000, -0.0071892100000000, -0.0075166900000000 ] - [ 0.0001564900000000, -0.0003599100000000, -0.0081307000000000 ] - [ 0.0007983600000000, 0.0000467700000000, -0.0006308500000000 ] - [ -0.0001765400000000, 0.0013191300000000, -0.0012579100000000 ] - [ 0.0000634500000000, 0.0004599500000000, -0.0008432900000000 ] - [ 0.0004007400000000, 0.0002810800000000, -0.0003902400000000 ] - [ -0.0024550900000000, 0.0011069800000000, 0.0031718500000000 ] - [ -0.0007003200000000, -0.0002689200000000, 0.0031771300000000 ] - [ 0.0003148300000000, 0.0002288500000000, 0.0001274400000000 ] - [ -0.0006181000000000, 0.0002859600000000, 0.0013829200000000 ] - [ -0.0005426400000000, 0.0003771300000000, 0.0008683600000000 ] - [ 0.0000471500000000, 0.0003606300000000, 0.0000640100000000 ]- atom: 73 displacement: [ 0.0000724750264154, 0.0000000000000000, -0.0099997373650784 ] forces: - [ 0.0063023000000000, -0.0051343600000000, 0.0065651000000000 ] - [ -0.0057382700000000, -0.0000810100000000, 0.0086784200000000 ] - [ 0.0011558200000000, 0.0001550900000000, 0.0006607000000000 ] - [ 0.0006722600000000, 0.0010862500000000, 0.0016306500000000 ] - [ -0.0008154100000000, 0.0008603200000000, 0.0015608100000000 ] - [ 0.0006617100000000, 0.0002171600000000, 0.0003153800000000 ] - [ -0.0013243600000000, 0.0038477500000000, -0.0086302700000000 ] - [ -0.0250700200000000, -0.0178855600000000, -0.0265855300000000 ] - [ 0.0017710400000000, -0.0000345900000000, -0.0006114300000000 ] - [ -0.0015652500000000, -0.0012948300000000, -0.0028058200000000 ] - [ -0.0004737100000000, -0.0008973200000000, -0.0016700900000000 ] - [ 0.0010195700000000, 0.0001888500000000, -0.0001420900000000 ] - [ -0.0015790900000000, 0.0064398500000000, 0.0117773900000000 ] - [ -0.0008691400000000, 0.0004906000000000, 0.0020969100000000 ] - [ 0.0016524000000000, 0.0015631300000000, 0.0010453100000000 ] - [ -0.0010553700000000, -0.0012562300000000, 0.0027818300000000 ] - [ -0.0003598900000000, 0.0002884600000000, 0.0011670000000000 ] - [ 0.0012338500000000, 0.0001648200000000, 0.0002991800000000 ] - [ -0.0046859600000000, 0.0083132600000000, -0.0188066600000000 ] - [ 0.0029851400000000, -0.0016434000000000, -0.0038018300000000 ] - [ 0.0006453500000000, 0.0008451400000000, -0.0013970800000000 ] - [ -0.0022389000000000, 0.0009747600000000, -0.0028093400000000 ] - [ 0.0034981700000000, 0.0035708700000000, -0.0026226500000000 ] - [ 0.0009460100000000, 0.0002382400000000, -0.0005585900000000 ] - [ -0.0225576100000000, 0.0192622200000000, -0.0478845300000000 ] - [ -0.0010062900000000, -0.0020033300000000, -0.0019788100000000 ] - [ 0.0025582000000000, -0.0004672600000000, -0.0011726900000000 ] - [ -0.0006636400000000, -0.0005289300000000, -0.0013788600000000 ] - [ 0.0000298200000000, -0.0002322000000000, -0.0010008100000000 ] - [ 0.0008393100000000, -0.0005104400000000, -0.0006442500000000 ] - [ -0.0061248600000000, 0.0014692900000000, 0.0124044300000000 ] - [ 0.0034854200000000, -0.0001603100000000, 0.0046071900000000 ] - [ 0.0006295800000000, -0.0002769100000000, 0.0013869600000000 ] - [ -0.0012320100000000, -0.0012119700000000, 0.0019831400000000 ] - [ 0.0005741100000000, 0.0000346700000000, 0.0010249300000000 ] - [ 0.0001265500000000, -0.0009526100000000, 0.0006304600000000 ] - [ 0.0030593800000000, 0.0041126600000000, -0.0001158000000000 ] - [ -0.0058885900000000, 0.0078504400000000, -0.0036482100000000 ] - [ 0.0007234100000000, 0.0002121000000000, -0.0004241500000000 ] - [ 0.0024689100000000, -0.0039277200000000, 0.0003133000000000 ] - [ -0.0042764100000000, -0.0039669700000000, -0.0042411200000000 ] - [ 0.0008250500000000, -0.0000468700000000, -0.0005348500000000 ] - [ -0.0016596800000000, 0.0005244300000000, 0.0033911300000000 ] - [ 0.0037748600000000, -0.0048599400000000, 0.0044888300000000 ] - [ 0.0009075400000000, -0.0001653400000000, 0.0005299800000000 ] - [ -0.0005876800000000, 0.0000240600000000, 0.0009709200000000 ] - [ -0.0002137000000000, 0.0034921000000000, 0.0053232100000000 ] - [ 0.0011472100000000, 0.0001572000000000, 0.0006225900000000 ] - [ -0.0019533400000000, 0.0012440900000000, 0.0055747300000000 ] - [ -0.0009920600000000, 0.0002386000000000, 0.0009491400000000 ] - [ -0.0008812500000000, -0.0008463200000000, 0.0016914500000000 ] - [ 0.0023066000000000, -0.0011536900000000, 0.0062808300000000 ] - [ -0.0011225600000000, 0.0002838400000000, 0.0009220000000000 ] - [ -0.0013975000000000, 0.0002208700000000, 0.0016982000000000 ] - [ 0.0020601600000000, -0.0010438200000000, -0.0037179700000000 ] - [ -0.0002032000000000, -0.0000792100000000, -0.0001108900000000 ] - [ -0.0001827200000000, -0.0003845900000000, -0.0003881300000000 ] - [ 0.0009814400000000, -0.0000666300000000, -0.0030742200000000 ] - [ -0.0003250700000000, -0.0001466900000000, -0.0001410800000000 ] - [ -0.0009769700000000, 0.0011568700000000, -0.0007924900000000 ] - [ 0.0089085800000000, 0.0099247700000000, -0.0098576100000000 ] - [ 0.0000652700000000, 0.0004006000000000, 0.0002269600000000 ] - [ -0.0017543400000000, 0.0003180500000000, 0.0004418100000000 ] - [ 0.0005237500000000, -0.0009456400000000, -0.0001220700000000 ] - [ -0.0000443700000000, 0.0002244800000000, 0.0002750500000000 ] - [ -0.0003493300000000, -0.0001479900000000, 0.0001128500000000 ] - [ 0.0019945100000000, -0.0046453400000000, -0.0094489800000000 ] - [ -0.0012455100000000, -0.0000238900000000, 0.0001606100000000 ] - [ 0.0002310300000000, 0.0002712300000000, 0.0001910800000000 ] - [ 0.0003821300000000, 0.0021522300000000, 0.0000259600000000 ] - [ -0.0002970000000000, 0.0003185300000000, 0.0000560200000000 ] - [ 0.0012913000000000, 0.0012177800000000, -0.0001276800000000 ] - [ 0.0652610500000000, -0.0032595600000000, 0.1456806100000000 ] - [ -0.0004093700000000, -0.0001848500000000, 0.0009208900000000 ] - [ -0.0005131800000000, -0.0002302000000000, 0.0009171600000000 ] - [ 0.0010186800000000, 0.0003584200000000, 0.0010793000000000 ] - [ -0.0004547700000000, -0.0008141000000000, 0.0004580000000000 ] - [ 0.0003339800000000, 0.0001613000000000, 0.0004612000000000 ] - [ 0.0001202500000000, 0.0005505300000000, -0.0051975600000000 ] - [ -0.0008207900000000, 0.0001407400000000, -0.0014717800000000 ] - [ -0.0016094500000000, -0.0008692900000000, -0.0014846100000000 ] - [ 0.0001835900000000, 0.0002154800000000, -0.0008126500000000 ] - [ -0.0002421300000000, -0.0000265700000000, -0.0004763300000000 ] - [ -0.0003987000000000, -0.0001072700000000, -0.0004812300000000 ] - [ 0.0017163600000000, -0.0122337300000000, -0.0157794500000000 ] - [ -0.0001436700000000, -0.0002094800000000, 0.0000922800000000 ] - [ -0.0020019400000000, -0.0004651400000000, -0.0004037300000000 ] - [ 0.0000771500000000, 0.0007198300000000, 0.0003219500000000 ] - [ -0.0001959300000000, -0.0002482100000000, 0.0001895200000000 ] - [ -0.0006349700000000, 0.0001819900000000, 0.0000335600000000 ] - [ -0.0000881500000000, 0.0079539000000000, -0.0157784300000000 ] - [ -0.0011804200000000, 0.0004153900000000, -0.0002696700000000 ] - [ 0.0009340000000000, -0.0005193600000000, -0.0001554200000000 ] - [ 0.0012376600000000, -0.0015525500000000, 0.0001771000000000 ] - [ -0.0008345700000000, -0.0006723400000000, -0.0005224500000000 ] - [ -0.0001514400000000, -0.0000900200000000, -0.0000743800000000 ] - [ -0.0101220400000000, -0.0110348300000000, 0.0055956300000000 ] - [ 0.0028753600000000, -0.0006362700000000, 0.0025261000000000 ] - [ -0.0004710800000000, -0.0006683700000000, 0.0002986800000000 ] - [ 0.0008430200000000, 0.0005832200000000, 0.0009040400000000 ] - [ 0.0002711700000000, -0.0007681900000000, 0.0009493500000000 ] - [ -0.0002937500000000, -0.0003773700000000, 0.0000547100000000 ] - [ 0.0002353600000000, 0.0004458600000000, -0.0059103500000000 ] - [ -0.0007713300000000, 0.0000303800000000, -0.0019891000000000 ] - [ -0.0005270700000000, -0.0003836400000000, -0.0006279300000000 ] - [ 0.0003462700000000, 0.0001670500000000, -0.0007429500000000 ] - [ -0.0001600200000000, -0.0006569700000000, -0.0011055900000000 ] - [ -0.0003078700000000, -0.0001974100000000, -0.0004134500000000 ] - [ -0.0133019500000000, -0.0074862800000000, -0.0242840800000000 ] - [ 0.0019783600000000, -0.0005215500000000, -0.0000791000000000 ] - [ -0.0009305000000000, 0.0001935700000000, -0.0004648200000000 ] - [ 0.0000249500000000, -0.0000450000000000, -0.0001850100000000 ] - [ 0.0003182800000000, -0.0002316300000000, 0.0000442500000000 ] - [ -0.0004602800000000, 0.0001462100000000, -0.0001373000000000 ] - [ 0.0125858800000000, -0.0033094400000000, -0.0047784700000000 ] - [ -0.0077423400000000, 0.0039277400000000, -0.0041822600000000 ] - [ -0.0006498600000000, 0.0000895900000000, -0.0001508900000000 ] - [ 0.0003742600000000, 0.0002034800000000, 0.0003992900000000 ] - [ -0.0001724700000000, -0.0007473800000000, -0.0000951400000000 ] - [ -0.0004736500000000, 0.0002171800000000, -0.0000476900000000 ] - [ -0.0008780900000000, -0.0025117000000000, -0.0009080000000000 ] - [ 0.0015413400000000, -0.0006670900000000, -0.0012412500000000 ] - [ -0.0004099900000000, -0.0005493500000000, -0.0001632000000000 ] - [ 0.0002396400000000, 0.0017478000000000, -0.0014752000000000 ] - [ 0.0021585800000000, 0.0008401500000000, -0.0010131600000000 ] - [ -0.0003795700000000, -0.0003152100000000, -0.0002517700000000 ] - [ 0.0086382600000000, 0.0045492000000000, -0.0064411000000000 ] - [ -0.0006716900000000, 0.0009306400000000, 0.0004471300000000 ] - [ -0.0002994200000000, -0.0003716800000000, -0.0000100000000000 ] - [ 0.0009124000000000, -0.0004129500000000, 0.0006751800000000 ] - [ -0.0056248700000000, -0.0104344600000000, -0.0053379000000000 ] - [ -0.0004430800000000, -0.0004072300000000, -0.0000215500000000 ] - [ -0.0099529500000000, 0.0079759800000000, 0.0075511600000000 ] - [ -0.0004710500000000, 0.0010535100000000, 0.0080668400000000 ] - [ -0.0010490100000000, 0.0006757900000000, 0.0005628600000000 ] - [ -0.0000941300000000, -0.0005773800000000, 0.0011697100000000 ] - [ -0.0003519100000000, 0.0002732800000000, 0.0007779900000000 ] - [ -0.0006476400000000, 0.0004406200000000, 0.0003212500000000 ] - [ 0.0021886000000000, -0.0003672700000000, -0.0032872900000000 ] - [ 0.0004343800000000, 0.0009948800000000, -0.0032667500000000 ] - [ -0.0005621400000000, 0.0004935200000000, -0.0002010100000000 ] - [ 0.0003486400000000, 0.0004462200000000, -0.0014870900000000 ] - [ 0.0002677700000000, 0.0003444100000000, -0.0009469700000000 ] - [ -0.0002927100000000, 0.0003596800000000, -0.0001375500000000 ]- atom: 85 displacement: [ 0.0099999975103145, 0.0000000000000000, -0.0000070564653367 ] forces: - [ -0.0056631600000000, 0.0060648100000000, -0.0037169900000000 ] - [ 0.0057610500000000, -0.0065982400000000, 0.0058935100000000 ] - [ -0.0034937900000000, -0.0004980700000000, 0.0002628400000000 ] - [ -0.0020463800000000, -0.0040361100000000, -0.0014884200000000 ] - [ 0.0052215000000000, 0.0053123400000000, 0.0061985300000000 ] - [ -0.0029546900000000, 0.0009626200000000, 0.0001542200000000 ] - [ -0.0022427800000000, 0.0008393600000000, 0.0033479800000000 ] - [ 0.0038607500000000, -0.0010259000000000, -0.0014469200000000 ] - [ -0.0030866700000000, -0.0008258300000000, -0.0007235400000000 ] - [ -0.0000063600000000, -0.0009524500000000, 0.0004097700000000 ] - [ 0.0007335800000000, 0.0028193100000000, -0.0019781800000000 ] - [ -0.0023764000000000, 0.0007582300000000, -0.0004412100000000 ] - [ 0.0326182700000000, 0.0077929500000000, 0.0198079100000000 ] - [ -0.0080484100000000, -0.0016600700000000, 0.0063596800000000 ] - [ -0.0039566700000000, 0.0001810500000000, -0.0001721500000000 ] - [ 0.0032047600000000, 0.0022479800000000, -0.0003861800000000 ] - [ -0.0006141900000000, 0.0012646500000000, 0.0006641700000000 ] - [ -0.0024208700000000, 0.0012030900000000, 0.0004642000000000 ] - [ 0.0087109700000000, -0.0034899100000000, 0.0016970200000000 ] - [ -0.0037286500000000, 0.0018939200000000, -0.0066451300000000 ] - [ -0.0028554800000000, 0.0002910100000000, 0.0001428800000000 ] - [ 0.0022836400000000, 0.0020551400000000, 0.0000058100000000 ] - [ -0.0002789500000000, 0.0010827600000000, -0.0004127100000000 ] - [ -0.0019407600000000, 0.0012518400000000, 0.0003671900000000 ] - [ 0.0223546000000000, -0.0116684100000000, 0.0017401800000000 ] - [ -0.0061431300000000, -0.0070962500000000, -0.0005408500000000 ] - [ -0.0038702300000000, -0.0004090800000000, 0.0006368300000000 ] - [ 0.0057574800000000, 0.0009008900000000, -0.0009890500000000 ] - [ -0.0018280200000000, 0.0019373600000000, -0.0008459800000000 ] - [ -0.0021699100000000, -0.0007986400000000, 0.0004567900000000 ] - [ 0.0045516000000000, 0.0021039800000000, -0.0026772700000000 ] - [ -0.0000093200000000, -0.0018761900000000, 0.0005409100000000 ] - [ -0.0029808600000000, -0.0002916500000000, -0.0005574200000000 ] - [ 0.0029691100000000, -0.0008074400000000, -0.0003573800000000 ] - [ -0.0009114400000000, 0.0005856700000000, 0.0003469700000000 ] - [ -0.0018388100000000, -0.0004467800000000, -0.0002999400000000 ] - [ -0.0055858600000000, -0.0035841100000000, 0.0023204500000000 ] - [ 0.0405040700000000, -0.0254829000000000, 0.0195928900000000 ] - [ -0.0034328500000000, 0.0004875400000000, -0.0002560300000000 ] - [ -0.0010964200000000, 0.0032346900000000, -0.0005723600000000 ] - [ 0.0020132300000000, 0.0002216500000000, 0.0001757800000000 ] - [ -0.0018688200000000, -0.0003725000000000, -0.0003662200000000 ] - [ -0.0024157300000000, -0.0029155700000000, -0.0021345100000000 ] - [ 0.0034267600000000, -0.0006646700000000, -0.0003649600000000 ] - [ -0.0024720100000000, 0.0002377500000000, 0.0003370000000000 ] - [ -0.0001133600000000, 0.0013279000000000, -0.0006620100000000 ] - [ 0.0014890400000000, 0.0003185000000000, 0.0002824800000000 ] - [ -0.0014210000000000, -0.0001083000000000, -0.0001121600000000 ] - [ -0.0050569300000000, -0.0009213100000000, 0.0069561700000000 ] - [ 0.0016198700000000, -0.0013358200000000, 0.0002922500000000 ] - [ 0.0008114100000000, 0.0002468400000000, -0.0004667300000000 ] - [ -0.0014794700000000, -0.0000971800000000, 0.0004697100000000 ] - [ 0.0004549300000000, -0.0001495800000000, 0.0003183900000000 ] - [ 0.0015302400000000, -0.0014106500000000, -0.0005328800000000 ] - [ -0.0076283800000000, 0.0032094500000000, 0.0004625700000000 ] - [ 0.0021637100000000, -0.0014901400000000, -0.0009704900000000 ] - [ 0.0013314400000000, -0.0000035500000000, 0.0003156700000000 ] - [ -0.0014549800000000, 0.0002433600000000, 0.0002538700000000 ] - [ 0.0005750400000000, -0.0002853300000000, -0.0000747000000000 ] - [ 0.0013844700000000, -0.0024128000000000, 0.0008959900000000 ] - [ -0.0063435200000000, 0.0004425300000000, 0.0021108900000000 ] - [ 0.0023979700000000, 0.0019232600000000, -0.0008617400000000 ] - [ 0.0020284600000000, 0.0000940100000000, -0.0008397100000000 ] - [ -0.0055709900000000, -0.0064896100000000, -0.0010548100000000 ] - [ 0.0017795200000000, -0.0001692100000000, -0.0001918700000000 ] - [ 0.0016906200000000, 0.0015314200000000, -0.0005727700000000 ] - [ -0.0016884800000000, -0.0004491600000000, 0.0010864900000000 ] - [ 0.0008652600000000, 0.0008914700000000, -0.0001907900000000 ] - [ 0.0010858500000000, 0.0001914900000000, -0.0005131000000000 ] - [ -0.0013022500000000, -0.0000939300000000, 0.0015663300000000 ] - [ 0.0008025300000000, 0.0001655300000000, -0.0002696500000000 ] - [ 0.0006349900000000, 0.0007710100000000, 0.0000115400000000 ] - [ -0.0058204200000000, 0.0010060100000000, -0.0018215500000000 ] - [ 0.0033147000000000, 0.0016499100000000, 0.0019950200000000 ] - [ 0.0018055900000000, 0.0003199200000000, 0.0000994700000000 ] - [ -0.0013513700000000, -0.0013341500000000, -0.0001298200000000 ] - [ 0.0007514500000000, -0.0002302300000000, 0.0006033300000000 ] - [ 0.0005829600000000, 0.0001543900000000, 0.0001437300000000 ] - [ -0.0064073000000000, -0.0029758200000000, 0.0000494600000000 ] - [ 0.0019331300000000, 0.0016287300000000, -0.0009584700000000 ] - [ 0.0024174200000000, 0.0007195200000000, 0.0011344300000000 ] - [ -0.0022688400000000, -0.0014303500000000, -0.0012963500000000 ] - [ 0.0005972600000000, -0.0002093000000000, 0.0001193500000000 ] - [ 0.0014786200000000, 0.0006085200000000, 0.0007834800000000 ] - [ -0.1365357800000000, 0.0614817500000000, -0.0554853500000000 ] - [ 0.0022690400000000, -0.0005818400000000, 0.0004224100000000 ] - [ 0.0022830200000000, -0.0004991200000000, 0.0003152200000000 ] - [ -0.0010884100000000, -0.0010334700000000, -0.0002905500000000 ] - [ 0.0005107900000000, -0.0006722100000000, 0.0000302900000000 ] - [ 0.0005325100000000, -0.0007246700000000, 0.0000960100000000 ] - [ -0.0021382500000000, 0.0004793300000000, 0.0000741600000000 ] - [ 0.0012693800000000, 0.0001751400000000, 0.0013557600000000 ] - [ 0.0012891200000000, -0.0004288900000000, 0.0007790200000000 ] - [ -0.0008036100000000, -0.0003846900000000, -0.0001573400000000 ] - [ 0.0003918900000000, -0.0005664600000000, 0.0001092900000000 ] - [ 0.0004133100000000, -0.0006472500000000, 0.0002516100000000 ] - [ 0.0067344300000000, 0.0016215000000000, -0.0112317500000000 ] - [ 0.0104352000000000, 0.0016190800000000, 0.0083666300000000 ] - [ 0.0017140000000000, 0.0001712600000000, 0.0002404500000000 ] - [ -0.0010942600000000, -0.0016775300000000, -0.0001761100000000 ] - [ -0.0001007000000000, -0.0006872300000000, 0.0001945600000000 ] - [ 0.0009098100000000, -0.0001178200000000, 0.0001332400000000 ] - [ 0.0065501400000000, -0.0044690100000000, 0.0100103700000000 ] - [ -0.0008386200000000, 0.0000169000000000, -0.0017057400000000 ] - [ 0.0016636700000000, 0.0000872000000000, 0.0004589000000000 ] - [ -0.0008127500000000, -0.0008969600000000, -0.0001576200000000 ] - [ -0.0001865800000000, -0.0006036200000000, -0.0002085700000000 ] - [ 0.0009442500000000, -0.0001842800000000, 0.0002583400000000 ] - [ 0.0209893600000000, -0.0159227800000000, 0.0102561000000000 ] - [ 0.0066582500000000, 0.0048582800000000, -0.0028125700000000 ] - [ 0.0018247300000000, -0.0006757200000000, 0.0005250300000000 ] - [ -0.0016442700000000, 0.0007707800000000, -0.0008090400000000 ] - [ 0.0001559700000000, -0.0016647700000000, -0.0002181400000000 ] - [ 0.0012206000000000, -0.0006776700000000, 0.0003439000000000 ] - [ -0.0013845100000000, 0.0001501900000000, -0.0002122900000000 ] - [ -0.0009180000000000, 0.0011300400000000, 0.0008231500000000 ] - [ 0.0014986700000000, -0.0005597500000000, 0.0005768800000000 ] - [ -0.0008302700000000, 0.0001723700000000, -0.0003143700000000 ] - [ 0.0002785800000000, -0.0006445800000000, 0.0002141500000000 ] - [ 0.0010312000000000, -0.0006005000000000, 0.0003554000000000 ] - [ 0.0079116000000000, 0.0073528500000000, 0.0005105400000000 ] - [ 0.0095566300000000, -0.0069710100000000, -0.0086076600000000 ] - [ 0.0019038800000000, 0.0004456100000000, -0.0007383800000000 ] - [ -0.0009947200000000, -0.0024212200000000, 0.0002608800000000 ] - [ -0.0006882400000000, -0.0001603800000000, -0.0002709800000000 ] - [ 0.0015184000000000, 0.0003752400000000, -0.0005642600000000 ] - [ -0.0004673400000000, 0.0004314500000000, 0.0003797900000000 ] - [ -0.0007833200000000, -0.0008470800000000, 0.0007859400000000 ] - [ 0.0014126600000000, 0.0003298800000000, -0.0004899000000000 ] - [ -0.0004421400000000, -0.0011050300000000, -0.0003531600000000 ] - [ -0.0005335200000000, -0.0004102000000000, -0.0000690200000000 ] - [ 0.0011987100000000, 0.0003998900000000, -0.0003179900000000 ] - [ 0.0089063800000000, -0.0056238000000000, -0.0056994000000000 ] - [ -0.0016760400000000, 0.0022479600000000, 0.0009443800000000 ] - [ 0.0013846100000000, -0.0000450400000000, -0.0005917300000000 ] - [ -0.0014595300000000, 0.0023168000000000, -0.0007066400000000 ] - [ 0.0005855400000000, -0.0020466600000000, 0.0014466000000000 ] - [ 0.0011171800000000, -0.0000153800000000, -0.0003956700000000 ] - [ -0.0007270100000000, -0.0008751400000000, 0.0013229700000000 ] - [ -0.0009644200000000, 0.0009006800000000, -0.0002578900000000 ] - [ 0.0012140300000000, 0.0000752700000000, -0.0005901300000000 ] - [ -0.0010357200000000, 0.0018917200000000, 0.0007820400000000 ] - [ -0.0005486000000000, -0.0001538800000000, -0.0016617600000000 ] - [ 0.0011661900000000, 0.0000173300000000, -0.0005111400000000 ]- atom: 85 displacement: [ -0.0099999975103145, 0.0000000000000000, 0.0000070564653367 ] forces: - [ 0.0056756300000000, -0.0058393700000000, 0.0037380100000000 ] - [ -0.0056505800000000, 0.0068770300000000, -0.0059194300000000 ] - [ 0.0034773100000000, 0.0007474300000000, -0.0002533200000000 ] - [ 0.0020478800000000, 0.0043052800000000, 0.0014918300000000 ] - [ -0.0051594000000000, -0.0050340400000000, -0.0062134400000000 ] - [ 0.0029398800000000, -0.0007019600000000, -0.0001458700000000 ] - [ 0.0022245000000000, -0.0005841800000000, -0.0033460200000000 ] - [ -0.0038107600000000, 0.0012840800000000, 0.0014439000000000 ] - [ 0.0030698800000000, 0.0010746100000000, 0.0007257600000000 ] - [ -0.0000029000000000, 0.0012086600000000, -0.0004068200000000 ] - [ -0.0006988600000000, -0.0025689500000000, 0.0019757800000000 ] - [ 0.0023617000000000, -0.0004977100000000, 0.0004446200000000 ] - [ -0.0330746000000000, -0.0066847000000000, -0.0211245000000000 ] - [ 0.0080245100000000, 0.0031256900000000, -0.0063306800000000 ] - [ 0.0039651500000000, 0.0012950200000000, 0.0001743300000000 ] - [ -0.0032294800000000, -0.0007747900000000, 0.0003763000000000 ] - [ 0.0006232700000000, 0.0002091100000000, -0.0006645200000000 ] - [ 0.0024294700000000, 0.0002656800000000, -0.0004646400000000 ] - [ -0.0087523600000000, 0.0049574500000000, -0.0016767600000000 ] - [ 0.0037188200000000, -0.0004131600000000, 0.0066090900000000 ] - [ 0.0028568100000000, 0.0011812600000000, -0.0001437500000000 ] - [ -0.0022960300000000, -0.0005799600000000, -0.0000018500000000 ] - [ 0.0002865300000000, 0.0003868700000000, 0.0004109400000000 ] - [ 0.0019443200000000, 0.0002191600000000, -0.0003661500000000 ] - [ -0.0227238800000000, 0.0115651400000000, -0.0012278400000000 ] - [ 0.0061206100000000, 0.0060158800000000, 0.0005333300000000 ] - [ 0.0038802000000000, -0.0006303800000000, -0.0006512000000000 ] - [ -0.0057981300000000, -0.0019564800000000, 0.0010080100000000 ] - [ 0.0018343600000000, -0.0029706600000000, 0.0008401000000000 ] - [ 0.0021778600000000, -0.0002393800000000, -0.0004674000000000 ] - [ -0.0045847600000000, -0.0031407000000000, 0.0026677900000000 ] - [ 0.0000197900000000, 0.0008259400000000, -0.0005384000000000 ] - [ 0.0029897900000000, -0.0007489700000000, 0.0005593400000000 ] - [ -0.0029871200000000, -0.0002299500000000, 0.0003677400000000 ] - [ 0.0009172300000000, -0.0016240300000000, -0.0003431400000000 ] - [ 0.0018475800000000, -0.0005930300000000, 0.0002967500000000 ] - [ 0.0055799100000000, 0.0036862700000000, -0.0023374300000000 ] - [ -0.0392065300000000, 0.0237510700000000, -0.0182853700000000 ] - [ 0.0034507400000000, -0.0003965400000000, 0.0002417900000000 ] - [ 0.0010843300000000, -0.0031356000000000, 0.0005613600000000 ] - [ -0.0020062500000000, -0.0001188100000000, -0.0001444000000000 ] - [ 0.0018941200000000, 0.0004578000000000, 0.0003513500000000 ] - [ 0.0024060500000000, 0.0030085800000000, 0.0021387600000000 ] - [ -0.0034358900000000, 0.0007528800000000, 0.0003797200000000 ] - [ 0.0024940400000000, -0.0001454500000000, -0.0003467700000000 ] - [ 0.0001052400000000, -0.0012290900000000, 0.0006679500000000 ] - [ -0.0015068100000000, -0.0002246600000000, -0.0002701500000000 ] - [ 0.0014492000000000, 0.0001938300000000, 0.0001004800000000 ] - [ 0.0047205500000000, 0.0005383500000000, -0.0064527500000000 ] - [ -0.0019112800000000, 0.0009796500000000, 0.0001948300000000 ] - [ -0.0011448600000000, -0.0006216900000000, 0.0009522600000000 ] - [ 0.0011825100000000, -0.0002889200000000, 0.0000138500000000 ] - [ -0.0007530200000000, -0.0001979900000000, 0.0001692500000000 ] - [ -0.0018614400000000, 0.0010372100000000, 0.0010194000000000 ] - [ 0.0073523400000000, -0.0035967100000000, 0.0000366800000000 ] - [ -0.0024516700000000, 0.0011326900000000, 0.0014493400000000 ] - [ -0.0016664300000000, -0.0003705600000000, 0.0001655000000000 ] - [ 0.0011568700000000, -0.0006304900000000, 0.0002388800000000 ] - [ -0.0008735800000000, -0.0000619600000000, 0.0005594300000000 ] - [ -0.0017254900000000, 0.0020548600000000, -0.0004199000000000 ] - [ 0.0065659700000000, 0.0001619400000000, -0.0020530200000000 ] - [ -0.0021086800000000, -0.0011890300000000, 0.0009301400000000 ] - [ -0.0017616500000000, 0.0006452600000000, 0.0009441400000000 ] - [ 0.0057690600000000, 0.0072460800000000, 0.0011162500000000 ] - [ -0.0014976700000000, 0.0008886600000000, 0.0002639100000000 ] - [ -0.0014207000000000, -0.0007985700000000, 0.0006711000000000 ] - [ 0.0019272500000000, 0.0011665600000000, -0.0010116700000000 ] - [ -0.0005844300000000, -0.0001646600000000, 0.0002617000000000 ] - [ -0.0008115600000000, 0.0005449300000000, 0.0006061400000000 ] - [ 0.0015442700000000, 0.0008176000000000, -0.0014959500000000 ] - [ -0.0005223800000000, 0.0005569900000000, 0.0003409600000000 ] - [ -0.0003610000000000, -0.0000349400000000, 0.0000824100000000 ] - [ 0.0059464800000000, -0.0011767700000000, 0.0018319500000000 ] - [ -0.0031859600000000, -0.0017606800000000, -0.0019195500000000 ] - [ -0.0016954000000000, -0.0004589300000000, -0.0000374000000000 ] - [ 0.0014789900000000, 0.0011971700000000, 0.0001832900000000 ] - [ -0.0006386600000000, 0.0001103300000000, -0.0005377900000000 ] - [ -0.0004740900000000, -0.0002947000000000, -0.0000835400000000 ] - [ 0.0065606500000000, 0.0027959800000000, 0.0001173200000000 ] - [ -0.0018129400000000, -0.0017404200000000, 0.0010155600000000 ] - [ -0.0023173200000000, -0.0008646000000000, -0.0010828400000000 ] - [ 0.0023934100000000, 0.0012886400000000, 0.0013524100000000 ] - [ -0.0004842400000000, 0.0000890200000000, -0.0000553800000000 ] - [ -0.0013756000000000, -0.0007506500000000, -0.0007281700000000 ] - [ 0.1360360300000000, -0.0609191800000000, 0.0551739100000000 ] - [ -0.0024329900000000, -0.0000373500000000, -0.0003429300000000 ] - [ -0.0024190900000000, -0.0001135100000000, -0.0002199800000000 ] - [ 0.0009528100000000, 0.0004111500000000, 0.0003649400000000 ] - [ -0.0006861800000000, 0.0000558400000000, 0.0000474600000000 ] - [ -0.0006642400000000, 0.0001140100000000, -0.0000017200000000 ] - [ 0.0019946600000000, -0.0010929500000000, -0.0000024700000000 ] - [ -0.0014396300000000, -0.0007893800000000, -0.0012721000000000 ] - [ -0.0014188700000000, -0.0001840400000000, -0.0006876700000000 ] - [ 0.0006632600000000, -0.0002343200000000, 0.0002278200000000 ] - [ -0.0005668900000000, -0.0000500800000000, -0.0000323200000000 ] - [ -0.0005454400000000, 0.0000349000000000, -0.0001611200000000 ] - [ -0.0066556500000000, -0.0022382600000000, 0.0112510800000000 ] - [ -0.0101294000000000, -0.0021962900000000, -0.0083330000000000 ] - [ -0.0015691900000000, -0.0007891600000000, -0.0003078200000000 ] - [ 0.0012321400000000, 0.0010676300000000, 0.0000835000000000 ] - [ 0.0002693400000000, 0.0000686200000000, -0.0002734700000000 ] - [ -0.0007672100000000, -0.0004992200000000, -0.0002024300000000 ] - [ -0.0064375200000000, 0.0038699300000000, -0.0100780500000000 ] - [ 0.0010026400000000, -0.0006335200000000, 0.0016172700000000 ] - [ -0.0015211100000000, -0.0007048200000000, -0.0005315500000000 ] - [ 0.0009508300000000, 0.0002857200000000, 0.0000663200000000 ] - [ 0.0003561700000000, -0.0000154900000000, 0.0001286700000000 ] - [ -0.0008034800000000, -0.0004324700000000, -0.0003309100000000 ] - [ -0.0214391000000000, 0.0160599200000000, -0.0105004500000000 ] - [ -0.0066847900000000, -0.0049102000000000, 0.0027069000000000 ] - [ -0.0019511800000000, 0.0005375800000000, -0.0005818000000000 ] - [ 0.0015485000000000, -0.0009160300000000, 0.0007560400000000 ] - [ -0.0002769900000000, 0.0015432400000000, 0.0001529300000000 ] - [ -0.0013476200000000, 0.0005390100000000, -0.0004004300000000 ] - [ 0.0012909100000000, -0.0002913100000000, 0.0001660900000000 ] - [ 0.0007928700000000, -0.0012389300000000, -0.0008855200000000 ] - [ -0.0016254100000000, 0.0004200700000000, -0.0006352200000000 ] - [ 0.0007272600000000, -0.0003147500000000, 0.0002557500000000 ] - [ -0.0004010600000000, 0.0005287100000000, -0.0002835300000000 ] - [ -0.0011578300000000, 0.0004599600000000, -0.0004132000000000 ] - [ -0.0076323100000000, -0.0077826100000000, -0.0010263700000000 ] - [ -0.0091486000000000, 0.0065139900000000, 0.0080159900000000 ] - [ -0.0016064600000000, -0.0008311000000000, 0.0002466900000000 ] - [ 0.0013424100000000, 0.0020593600000000, -0.0007443400000000 ] - [ 0.0009693700000000, -0.0001918000000000, -0.0002097400000000 ] - [ -0.0012217400000000, -0.0007573200000000, 0.0000733900000000 ] - [ 0.0008102900000000, -0.0008007700000000, -0.0008663500000000 ] - [ 0.0010677100000000, 0.0004889400000000, -0.0012674100000000 ] - [ -0.0011142100000000, -0.0007140000000000, -0.0000012300000000 ] - [ 0.0007828700000000, 0.0007316500000000, -0.0001358700000000 ] - [ 0.0008244300000000, 0.0000574800000000, -0.0004157200000000 ] - [ -0.0009003600000000, -0.0007811800000000, -0.0001731000000000 ] - [ -0.0091950300000000, 0.0063342000000000, 0.0055856800000000 ] - [ 0.0013787700000000, -0.0015094100000000, -0.0010108800000000 ] - [ -0.0016272300000000, 0.0007666500000000, 0.0005204700000000 ] - [ 0.0011999900000000, -0.0015853500000000, 0.0006076800000000 ] - [ -0.0008867700000000, 0.0027874400000000, -0.0015237200000000 ] - [ -0.0013586700000000, 0.0007342000000000, 0.0003238600000000 ] - [ 0.0004690800000000, 0.0016099200000000, -0.0014340800000000 ] - [ 0.0006723900000000, -0.0001723100000000, 0.0001886300000000 ] - [ -0.0014563900000000, 0.0006470500000000, 0.0005148800000000 ] - [ 0.0007702300000000, -0.0011580900000000, -0.0008852500000000 ] - [ 0.0002613800000000, 0.0008741400000000, 0.0015852300000000 ] - [ -0.0014083200000000, 0.0007020600000000, 0.0004366500000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0039908300000000, -0.0022715400000000, 0.0036910700000000 ] - [ -0.0084011300000000, -0.0046461600000000, 0.0104212500000000 ] - [ 0.0004731900000000, 0.0003593000000000, 0.0002654000000000 ] - [ -0.0025177000000000, -0.0020023500000000, -0.0012093300000000 ] - [ 0.0036658100000000, -0.0063353400000000, -0.0080381800000000 ] - [ 0.0010835300000000, -0.0002341200000000, -0.0001354400000000 ] - [ 0.0036053800000000, 0.0016673300000000, -0.0054258600000000 ] - [ -0.0042777500000000, -0.0012990400000000, -0.0032891500000000 ] - [ 0.0005388000000000, 0.0003437700000000, -0.0000507300000000 ] - [ -0.0011555300000000, -0.0002248500000000, 0.0004936300000000 ] - [ 0.0021488300000000, -0.0029302600000000, 0.0020934000000000 ] - [ 0.0008365400000000, -0.0000288300000000, 0.0001311100000000 ] - [ -0.0000534200000000, 0.0232259000000000, 0.0080582300000000 ] - [ 0.0034435300000000, 0.0068128300000000, -0.0015464200000000 ] - [ 0.0002045100000000, 0.0021915400000000, 0.0003313800000000 ] - [ -0.0003728900000000, -0.0044804000000000, 0.0012372800000000 ] - [ -0.0003609500000000, -0.0019481000000000, -0.0000260400000000 ] - [ 0.0008024000000000, -0.0005395000000000, 0.0000817900000000 ] - [ -0.0028173400000000, 0.0092003700000000, -0.0005150400000000 ] - [ 0.0012833400000000, 0.0020650200000000, 0.0014476900000000 ] - [ 0.0005376900000000, 0.0017340200000000, -0.0006076200000000 ] - [ -0.0006390700000000, -0.0031679400000000, -0.0008025400000000 ] - [ -0.0002940800000000, -0.0008773000000000, -0.0001586000000000 ] - [ 0.0011724800000000, -0.0006259300000000, -0.0003979000000000 ] - [ -0.0016497500000000, 0.0240582400000000, 0.0002306600000000 ] - [ -0.0021106200000000, 0.0021636400000000, -0.0018574500000000 ] - [ 0.0018914900000000, 0.0005008100000000, 0.0001131400000000 ] - [ -0.0070214000000000, -0.0096527700000000, 0.0045973800000000 ] - [ 0.0021885300000000, -0.0028682900000000, 0.0010993800000000 ] - [ -0.0000295900000000, -0.0014431400000000, 0.0002234700000000 ] - [ 0.0019301800000000, 0.0024437700000000, 0.0010992800000000 ] - [ -0.0008127400000000, 0.0009810500000000, -0.0002041500000000 ] - [ 0.0009512600000000, 0.0004147000000000, 0.0001514600000000 ] - [ -0.0016302800000000, -0.0027863600000000, -0.0011185300000000 ] - [ 0.0014597300000000, -0.0021709800000000, -0.0004318300000000 ] - [ 0.0000000800000000, -0.0012072200000000, -0.0004222500000000 ] - [ -0.0018484200000000, 0.0034133500000000, 0.0024566500000000 ] - [ -0.0305666900000000, 0.0418747900000000, -0.0190264500000000 ] - [ 0.0009503800000000, 0.0006006900000000, 0.0002228400000000 ] - [ 0.0022331800000000, -0.0048042600000000, 0.0019066000000000 ] - [ -0.0041124000000000, -0.0066076500000000, -0.0024453800000000 ] - [ 0.0003990600000000, -0.0005021600000000, 0.0000893700000000 ] - [ -0.0013812900000000, -0.0003704400000000, -0.0009786800000000 ] - [ 0.0007040900000000, 0.0025904000000000, -0.0020222600000000 ] - [ 0.0006763100000000, 0.0004324900000000, -0.0002973900000000 ] - [ 0.0000865100000000, -0.0012779800000000, -0.0001187600000000 ] - [ -0.0005810500000000, -0.0017310600000000, 0.0001998000000000 ] - [ 0.0003790400000000, -0.0003481500000000, -0.0000094900000000 ] - [ 0.0017940300000000, 0.0004035300000000, -0.0086239500000000 ] - [ -0.0006066600000000, -0.0002188500000000, 0.0001780500000000 ] - [ -0.0000611300000000, -0.0008153900000000, 0.0003244900000000 ] - [ -0.0001869600000000, 0.0015746800000000, 0.0018627400000000 ] - [ -0.0002343900000000, 0.0001121000000000, 0.0003397300000000 ] - [ -0.0026376500000000, 0.0014632800000000, 0.0012780500000000 ] - [ -0.0001751800000000, 0.0003977700000000, 0.0053233600000000 ] - [ -0.0008804800000000, -0.0000586800000000, 0.0005962600000000 ] - [ 0.0008483000000000, -0.0007238300000000, 0.0003954300000000 ] - [ -0.0002957800000000, 0.0013794400000000, -0.0008577200000000 ] - [ -0.0002929200000000, 0.0000957800000000, 0.0002840100000000 ] - [ -0.0012206400000000, 0.0013950200000000, -0.0002564200000000 ] - [ 0.0066427000000000, 0.0214153100000000, -0.0017045000000000 ] - [ 0.0002965200000000, 0.0003445500000000, 0.0000951100000000 ] - [ -0.0014812400000000, 0.0001356000000000, 0.0000733800000000 ] - [ 0.0004486800000000, 0.0224538100000000, 0.0010121500000000 ] - [ -0.0008695900000000, 0.0004534100000000, 0.0000319500000000 ] - [ 0.0011261700000000, 0.0008277300000000, -0.0004223900000000 ] - [ -0.0000378200000000, 0.0005364000000000, 0.0006772700000000 ] - [ 0.0000872400000000, 0.0003033100000000, 0.0001293600000000 ] - [ -0.0008805000000000, 0.0004738300000000, 0.0010722400000000 ] - [ 0.0006821600000000, 0.0012833300000000, -0.0004416800000000 ] - [ -0.0002983200000000, 0.0003054400000000, 0.0002492700000000 ] - [ 0.0004188400000000, 0.0004341800000000, 0.0000586400000000 ] - [ 0.0023339100000000, -0.0005688600000000, 0.0119172800000000 ] - [ -0.0003842800000000, -0.0009392100000000, 0.0001842800000000 ] - [ -0.0012667300000000, -0.0011117200000000, -0.0000790200000000 ] - [ 0.0006554600000000, 0.0020170700000000, -0.0009832300000000 ] - [ -0.0003234000000000, 0.0003578600000000, -0.0004538800000000 ] - [ 0.0002770100000000, 0.0004738800000000, -0.0000286200000000 ] - [ -0.0020885200000000, -0.0012051800000000, -0.0083073000000000 ] - [ -0.0003069700000000, -0.0012184300000000, 0.0002415300000000 ] - [ -0.0010082900000000, -0.0011360100000000, -0.0007063600000000 ] - [ 0.0019460700000000, 0.0024916000000000, 0.0012814700000000 ] - [ -0.0001721600000000, 0.0005067000000000, -0.0001838700000000 ] - [ 0.0008104900000000, 0.0007265600000000, 0.0003980300000000 ] - [ 0.0609067800000000, -0.1323193800000000, -0.0042863500000000 ] - [ -0.0002815400000000, -0.0013273000000000, -0.0003148300000000 ] - [ -0.0003380900000000, -0.0013271100000000, -0.0001942700000000 ] - [ -0.0007981100000000, 0.0054379900000000, 0.0001299900000000 ] - [ -0.0005046400000000, 0.0004932800000000, 0.0001223500000000 ] - [ -0.0004337800000000, 0.0004977300000000, -0.0000755700000000 ] - [ 0.0007143400000000, -0.0023035200000000, 0.0006692800000000 ] - [ -0.0002107800000000, -0.0008779200000000, -0.0002220400000000 ] - [ 0.0004203200000000, -0.0008749500000000, 0.0004411100000000 ] - [ -0.0001447300000000, 0.0008841200000000, 0.0003316300000000 ] - [ -0.0004270500000000, 0.0002934100000000, 0.0001698500000000 ] - [ -0.0003263900000000, 0.0002970700000000, 0.0001453100000000 ] - [ -0.0018365800000000, -0.0067634500000000, 0.0021369500000000 ] - [ -0.0018335000000000, -0.0033009000000000, -0.0013615000000000 ] - [ -0.0004104200000000, -0.0008215700000000, -0.0000019300000000 ] - [ 0.0014384800000000, 0.0029533300000000, -0.0005401200000000 ] - [ 0.0004676300000000, 0.0009106900000000, -0.0001680900000000 ] - [ -0.0001206800000000, 0.0000507700000000, -0.0002540500000000 ] - [ 0.0042749300000000, -0.0023930100000000, 0.0070727100000000 ] - [ -0.0002414000000000, -0.0017473700000000, 0.0003823500000000 ] - [ -0.0003258400000000, -0.0007567100000000, -0.0000532500000000 ] - [ 0.0006568700000000, 0.0008985700000000, -0.0000292300000000 ] - [ 0.0003815900000000, 0.0007123800000000, -0.0000146800000000 ] - [ -0.0000536900000000, -0.0000120600000000, -0.0001259700000000 ] - [ -0.0164004900000000, 0.0025928200000000, -0.0109291600000000 ] - [ 0.0051451400000000, -0.0018880400000000, -0.0003283600000000 ] - [ -0.0004454300000000, -0.0003356600000000, -0.0003898300000000 ] - [ 0.0005756800000000, 0.0016939200000000, 0.0008548000000000 ] - [ -0.0020830500000000, 0.0024915700000000, -0.0005028600000000 ] - [ -0.0004493300000000, 0.0004086500000000, -0.0001008900000000 ] - [ 0.0001998500000000, -0.0019464000000000, 0.0007363900000000 ] - [ 0.0010315900000000, -0.0012825900000000, 0.0003126800000000 ] - [ -0.0003144900000000, -0.0002510100000000, -0.0001039900000000 ] - [ 0.0001891800000000, 0.0007464600000000, 0.0004446500000000 ] - [ -0.0010032800000000, 0.0010491300000000, -0.0003890700000000 ] - [ -0.0004572700000000, 0.0004722500000000, 0.0000789700000000 ] - [ 0.0069649700000000, 0.0019240900000000, 0.0010265900000000 ] - [ -0.0082840900000000, 0.0009475100000000, 0.0048852000000000 ] - [ -0.0002480400000000, -0.0005521200000000, -0.0002040600000000 ] - [ 0.0003187600000000, 0.0018579800000000, -0.0014138600000000 ] - [ 0.0026507000000000, 0.0017699300000000, -0.0013148700000000 ] - [ -0.0001222100000000, -0.0000959800000000, -0.0002712000000000 ] - [ 0.0000852800000000, -0.0006218300000000, 0.0003150000000000 ] - [ -0.0005464400000000, -0.0008908700000000, -0.0005076800000000 ] - [ -0.0002259100000000, -0.0004801400000000, -0.0001076400000000 ] - [ 0.0003822100000000, 0.0008738500000000, 0.0006115900000000 ] - [ 0.0009667000000000, 0.0009631400000000, 0.0000316800000000 ] - [ -0.0001928900000000, -0.0002145200000000, -0.0001197900000000 ] - [ -0.0157062900000000, 0.0121230000000000, 0.0104119200000000 ] - [ 0.0017606600000000, -0.0002194300000000, 0.0003072600000000 ] - [ -0.0005767400000000, 0.0004564900000000, 0.0001298500000000 ] - [ 0.0015411600000000, -0.0000561800000000, -0.0012878900000000 ] - [ -0.0019056200000000, 0.0019256700000000, -0.0011591500000000 ] - [ -0.0004163800000000, 0.0004288900000000, -0.0000200400000000 ] - [ 0.0000318300000000, 0.0004264500000000, -0.0009103100000000 ] - [ 0.0012758200000000, 0.0004837600000000, -0.0015014100000000 ] - [ -0.0004318000000000, 0.0004147100000000, 0.0000465700000000 ] - [ 0.0003155800000000, 0.0007384300000000, 0.0003738800000000 ] - [ -0.0018758100000000, 0.0009117000000000, 0.0024043800000000 ] - [ -0.0003838500000000, 0.0004723400000000, 0.0001691300000000 ]- atom: 85 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0039825900000000, 0.0025352800000000, -0.0036646500000000 ] - [ 0.0083718400000000, 0.0049631500000000, -0.0103407300000000 ] - [ -0.0004818100000000, -0.0000997200000000, -0.0002602400000000 ] - [ 0.0025142200000000, 0.0022322100000000, 0.0012117700000000 ] - [ -0.0036825300000000, 0.0065659500000000, 0.0080799600000000 ] - [ -0.0010964400000000, 0.0004839900000000, 0.0001424900000000 ] - [ -0.0035859500000000, -0.0013792600000000, 0.0053820500000000 ] - [ 0.0042755300000000, 0.0015703600000000, 0.0032657700000000 ] - [ -0.0005468700000000, -0.0000818200000000, 0.0000577400000000 ] - [ 0.0011586300000000, 0.0004703000000000, -0.0004991200000000 ] - [ -0.0021398900000000, 0.0031709400000000, -0.0021068500000000 ] - [ -0.0008479400000000, 0.0002792900000000, -0.0001254200000000 ] - [ -0.0000038800000000, -0.0213783100000000, -0.0080375900000000 ] - [ -0.0034272900000000, -0.0053500200000000, 0.0015404900000000 ] - [ -0.0002008700000000, -0.0007150400000000, -0.0003271900000000 ] - [ 0.0003778900000000, 0.0059393400000000, -0.0012044500000000 ] - [ 0.0003477700000000, 0.0034148200000000, 0.0000325200000000 ] - [ -0.0007893700000000, 0.0020071700000000, -0.0000779200000000 ] - [ 0.0028255700000000, -0.0077233500000000, 0.0005255100000000 ] - [ -0.0012716800000000, -0.0005984600000000, -0.0014241500000000 ] - [ -0.0005309000000000, -0.0002608500000000, 0.0006024300000000 ] - [ 0.0006319600000000, 0.0046273200000000, 0.0007798200000000 ] - [ 0.0002882500000000, 0.0023464900000000, 0.0001545000000000 ] - [ -0.0011543000000000, 0.0020899100000000, 0.0003933900000000 ] - [ 0.0004766100000000, -0.0236858400000000, 0.0007022900000000 ] - [ 0.0021238700000000, -0.0031736800000000, 0.0018608900000000 ] - [ -0.0018713800000000, -0.0015305000000000, -0.0001206000000000 ] - [ 0.0070544900000000, 0.0086110100000000, -0.0046209000000000 ] - [ -0.0021939300000000, 0.0018155700000000, -0.0011021200000000 ] - [ 0.0000423800000000, 0.0003952900000000, -0.0002300600000000 ] - [ -0.0019283300000000, -0.0034418100000000, -0.0011314200000000 ] - [ 0.0008124100000000, -0.0020130700000000, 0.0002032500000000 ] - [ -0.0009399000000000, -0.0014447000000000, -0.0001570500000000 ] - [ 0.0016235100000000, 0.0017314700000000, 0.0011241300000000 ] - [ -0.0014611600000000, 0.0011229100000000, 0.0004358500000000 ] - [ 0.0000111800000000, 0.0001616700000000, 0.0004131000000000 ] - [ 0.0018187800000000, -0.0033298100000000, -0.0024447300000000 ] - [ 0.0323653400000000, -0.0429352000000000, 0.0202766100000000 ] - [ -0.0009204800000000, -0.0005230300000000, -0.0002351000000000 ] - [ -0.0022080600000000, 0.0048810300000000, -0.0018896800000000 ] - [ 0.0040314200000000, 0.0066623200000000, 0.0024244400000000 ] - [ -0.0003725100000000, 0.0005946100000000, -0.0001012200000000 ] - [ 0.0013542700000000, 0.0004367300000000, 0.0009586600000000 ] - [ -0.0007234500000000, -0.0025100200000000, 0.0020261100000000 ] - [ -0.0006493600000000, -0.0003475700000000, 0.0002845500000000 ] - [ -0.0000860600000000, 0.0013782800000000, 0.0001149400000000 ] - [ 0.0005525400000000, 0.0018270000000000, -0.0001835100000000 ] - [ -0.0003526400000000, 0.0004377600000000, -0.0000028200000000 ] - [ -0.0021092400000000, -0.0007820400000000, 0.0091697000000000 ] - [ 0.0003065700000000, -0.0001270600000000, 0.0003083200000000 ] - [ -0.0002761500000000, 0.0004457800000000, 0.0001611200000000 ] - [ -0.0001079400000000, -0.0019585300000000, -0.0013480200000000 ] - [ -0.0000595800000000, -0.0004647500000000, 0.0001461900000000 ] - [ 0.0022791800000000, -0.0018274800000000, -0.0007813900000000 ] - [ -0.0001385600000000, -0.0007534600000000, -0.0048628300000000 ] - [ 0.0005831000000000, -0.0002893600000000, -0.0001115400000000 ] - [ -0.0011776400000000, 0.0003547800000000, 0.0000846700000000 ] - [ 0.0000038200000000, -0.0017688400000000, 0.0013319200000000 ] - [ -0.0000001600000000, -0.0004486700000000, 0.0001997000000000 ] - [ 0.0008796700000000, -0.0017621800000000, 0.0007362700000000 ] - [ -0.0062918800000000, -0.0203004900000000, 0.0017514100000000 ] - [ -0.0000191700000000, 0.0003749700000000, -0.0000217900000000 ] - [ 0.0017412700000000, 0.0005935500000000, 0.0000198500000000 ] - [ -0.0001966900000000, -0.0220807600000000, -0.0009652000000000 ] - [ 0.0011512600000000, 0.0002749800000000, 0.0000388100000000 ] - [ -0.0008503000000000, -0.0000867600000000, 0.0005164100000000 ] - [ 0.0002716000000000, 0.0001736700000000, -0.0005934600000000 ] - [ 0.0001939800000000, 0.0004193700000000, -0.0000592600000000 ] - [ 0.0011455500000000, 0.0002605200000000, -0.0009675200000000 ] - [ -0.0004373900000000, -0.0005569300000000, 0.0005154400000000 ] - [ 0.0005810600000000, 0.0004227800000000, -0.0001785500000000 ] - [ -0.0001471900000000, 0.0003054000000000, 0.0000401300000000 ] - [ -0.0021816800000000, 0.0003806500000000, -0.0117930500000000 ] - [ 0.0004905800000000, 0.0008144400000000, -0.0001230000000000 ] - [ 0.0013663400000000, 0.0009608500000000, 0.0001364000000000 ] - [ -0.0005193700000000, -0.0021493200000000, 0.0010529700000000 ] - [ 0.0004404300000000, -0.0004736100000000, 0.0005206900000000 ] - [ -0.0001731700000000, -0.0006121400000000, 0.0000871700000000 ] - [ 0.0022007000000000, 0.0009881900000000, 0.0083735300000000 ] - [ 0.0004201600000000, 0.0010984400000000, -0.0001756900000000 ] - [ 0.0011122000000000, 0.0009881400000000, 0.0007587900000000 ] - [ -0.0018186100000000, -0.0026245700000000, -0.0012354500000000 ] - [ 0.0002912600000000, -0.0006200600000000, 0.0002476600000000 ] - [ -0.0007020100000000, -0.0008633400000000, -0.0003389600000000 ] - [ -0.0615025400000000, 0.1310924900000000, 0.0021266900000000 ] - [ 0.0001043800000000, 0.0007101700000000, 0.0003941300000000 ] - [ 0.0002066100000000, 0.0007102300000000, 0.0002868200000000 ] - [ 0.0006468200000000, -0.0060329300000000, -0.0000666700000000 ] - [ 0.0003342300000000, -0.0011101000000000, -0.0000421000000000 ] - [ 0.0002943800000000, -0.0011051600000000, 0.0001660400000000 ] - [ -0.0008589600000000, 0.0016852000000000, -0.0005895200000000 ] - [ 0.0000344800000000, 0.0002566800000000, 0.0002949800000000 ] - [ -0.0005448800000000, 0.0002595400000000, -0.0003430200000000 ] - [ 0.0000052800000000, -0.0014988400000000, -0.0002564000000000 ] - [ 0.0002551100000000, -0.0009100700000000, -0.0000912600000000 ] - [ 0.0001896400000000, -0.0009062500000000, -0.0000528000000000 ] - [ 0.0020203400000000, 0.0061170200000000, -0.0022803400000000 ] - [ 0.0019838300000000, 0.0026876100000000, 0.0012667100000000 ] - [ 0.0005500200000000, 0.0002012700000000, -0.0000672500000000 ] - [ -0.0013063100000000, -0.0035583400000000, 0.0004529600000000 ] - [ -0.0002883500000000, -0.0015255000000000, 0.0000930700000000 ] - [ 0.0002610400000000, -0.0006668600000000, 0.0001827600000000 ] - [ -0.0040736500000000, 0.0016940000000000, -0.0070612200000000 ] - [ 0.0004083600000000, 0.0011286100000000, -0.0004582700000000 ] - [ 0.0004663800000000, 0.0001371400000000, -0.0000183100000000 ] - [ -0.0005259200000000, -0.0015073900000000, -0.0000686700000000 ] - [ -0.0002066300000000, -0.0013279500000000, -0.0000659700000000 ] - [ 0.0001945800000000, -0.0006043200000000, 0.0000537800000000 ] - [ 0.0161274300000000, -0.0027834100000000, 0.0107627700000000 ] - [ -0.0052730400000000, 0.0017421700000000, 0.0002682900000000 ] - [ 0.0003170800000000, 0.0001945100000000, 0.0003305000000000 ] - [ -0.0006955100000000, -0.0018272600000000, -0.0009246200000000 ] - [ 0.0019742800000000, -0.0026057200000000, 0.0004384200000000 ] - [ 0.0003197700000000, -0.0005449400000000, 0.0000425200000000 ] - [ -0.0002965100000000, 0.0017921400000000, -0.0007733900000000 ] - [ -0.0011428700000000, 0.0011569800000000, -0.0003792800000000 ] - [ 0.0001861700000000, 0.0001100700000000, 0.0000462800000000 ] - [ -0.0002977500000000, -0.0008807700000000, -0.0004988000000000 ] - [ 0.0008863200000000, -0.0011643200000000, 0.0003229600000000 ] - [ 0.0003269000000000, -0.0006081100000000, -0.0001357800000000 ] - [ -0.0066201000000000, -0.0022602900000000, -0.0015423400000000 ] - [ 0.0086316500000000, -0.0012952700000000, -0.0054115700000000 ] - [ 0.0005444800000000, 0.0001695100000000, -0.0002871700000000 ] - [ 0.0000111300000000, -0.0022307000000000, 0.0009176400000000 ] - [ -0.0023313700000000, -0.0021212000000000, 0.0008117700000000 ] - [ 0.0004153200000000, -0.0002892600000000, -0.0002192200000000 ] - [ 0.0002500300000000, 0.0002556600000000, -0.0007928500000000 ] - [ 0.0008445400000000, 0.0005457300000000, 0.0000214700000000 ] - [ 0.0005220400000000, 0.0000975800000000, -0.0003822900000000 ] - [ -0.0000496500000000, -0.0012475100000000, -0.0010845200000000 ] - [ -0.0006689300000000, -0.0013133500000000, -0.0005147500000000 ] - [ 0.0004864200000000, -0.0001714700000000, -0.0003703900000000 ] - [ 0.0152659600000000, -0.0112251800000000, -0.0104076300000000 ] - [ -0.0020266400000000, 0.0009271400000000, -0.0003742100000000 ] - [ 0.0003301900000000, 0.0002632700000000, -0.0002011500000000 ] - [ -0.0018237100000000, 0.0008103700000000, 0.0011941100000000 ] - [ 0.0016145000000000, -0.0011762800000000, 0.0010801500000000 ] - [ 0.0001712700000000, 0.0002941400000000, -0.0000517600000000 ] - [ -0.0002935000000000, 0.0002940800000000, 0.0008062500000000 ] - [ -0.0015512100000000, 0.0002390800000000, 0.0014214900000000 ] - [ 0.0001882800000000, 0.0003050000000000, -0.0001197200000000 ] - [ -0.0005873200000000, 0.0000125300000000, -0.0004696900000000 ] - [ 0.0015961900000000, -0.0001785500000000, -0.0024850300000000 ] - [ 0.0001391100000000, 0.0002510900000000, -0.0002418100000000 ]- atom: 85 displacement: [ -0.0000724750264154, 0.0000000000000000, 0.0099997373650784 ] forces: - [ -0.0032340900000000, 0.0037489500000000, 0.0005678200000000 ] - [ 0.0064234800000000, 0.0097322900000000, 0.0036785800000000 ] - [ -0.0005080800000000, 0.0002063400000000, 0.0004040000000000 ] - [ -0.0023455100000000, -0.0036523600000000, -0.0004594100000000 ] - [ 0.0032414000000000, -0.0044460600000000, 0.0041624100000000 ] - [ -0.0004921800000000, 0.0000457200000000, 0.0002076600000000 ] - [ 0.0022240600000000, 0.0000803800000000, -0.0038940500000000 ] - [ -0.0041040800000000, -0.0051183400000000, -0.0055856100000000 ] - [ -0.0009670400000000, -0.0002891600000000, -0.0005686500000000 ] - [ 0.0005032900000000, 0.0005421300000000, -0.0007704400000000 ] - [ -0.0029401100000000, 0.0045673700000000, -0.0033780200000000 ] - [ -0.0007433600000000, 0.0004360200000000, -0.0003192500000000 ] - [ 0.0169620200000000, 0.0170795600000000, 0.0406510600000000 ] - [ 0.0018913100000000, 0.0002730800000000, 0.0009748900000000 ] - [ -0.0019531300000000, 0.0011311200000000, 0.0008781500000000 ] - [ 0.0002819000000000, 0.0004686200000000, 0.0013518100000000 ] - [ 0.0003501300000000, 0.0006262300000000, 0.0001427000000000 ] - [ -0.0008027600000000, 0.0006565900000000, 0.0005239000000000 ] - [ 0.0066522800000000, 0.0011844900000000, -0.0126883100000000 ] - [ -0.0033251700000000, 0.0016969700000000, -0.0043859700000000 ] - [ 0.0000249100000000, 0.0007546200000000, -0.0012444500000000 ] - [ 0.0007678200000000, 0.0000027900000000, -0.0016001300000000 ] - [ -0.0007420800000000, 0.0006485500000000, -0.0001623600000000 ] - [ 0.0001474300000000, 0.0003192200000000, -0.0003351700000000 ] - [ 0.0051737700000000, 0.0036107500000000, 0.0182985000000000 ] - [ -0.0026899800000000, -0.0032666100000000, 0.0046408900000000 ] - [ -0.0001092000000000, -0.0004272200000000, 0.0013112500000000 ] - [ 0.0017761100000000, 0.0000357500000000, 0.0024708800000000 ] - [ -0.0006868000000000, 0.0001436000000000, 0.0014631200000000 ] - [ -0.0006481300000000, -0.0009863600000000, 0.0008976900000000 ] - [ 0.0007987400000000, 0.0041512500000000, -0.0110765900000000 ] - [ 0.0006214800000000, -0.0005160000000000, -0.0022646400000000 ] - [ -0.0011205000000000, 0.0002474800000000, -0.0010196700000000 ] - [ 0.0007714300000000, -0.0021165400000000, -0.0027794400000000 ] - [ 0.0001718700000000, -0.0008784000000000, -0.0013572500000000 ] - [ -0.0006590900000000, -0.0007419600000000, -0.0008770500000000 ] - [ 0.0012199500000000, 0.0034756800000000, 0.0066969600000000 ] - [ 0.0201993600000000, -0.0164812600000000, 0.0278239300000000 ] - [ -0.0008847400000000, 0.0002174100000000, 0.0006751900000000 ] - [ 0.0013701200000000, -0.0013679300000000, 0.0021846900000000 ] - [ -0.0004538000000000, -0.0012532300000000, 0.0011984100000000 ] - [ -0.0004091800000000, -0.0001711100000000, 0.0002847000000000 ] - [ -0.0038588100000000, -0.0041758400000000, -0.0044522500000000 ] - [ 0.0037069200000000, -0.0001246800000000, -0.0068635900000000 ] - [ -0.0005734200000000, 0.0002279400000000, -0.0006424300000000 ] - [ -0.0004203900000000, 0.0006242400000000, -0.0014740800000000 ] - [ 0.0005614600000000, 0.0004967300000000, -0.0013022900000000 ] - [ -0.0002878200000000, 0.0000147100000000, -0.0004253000000000 ] - [ -0.0010387800000000, -0.0065532400000000, 0.0110510700000000 ] - [ 0.0008998800000000, -0.0008669600000000, 0.0000431700000000 ] - [ -0.0009346400000000, -0.0006272800000000, 0.0006376200000000 ] - [ -0.0003590300000000, 0.0011710700000000, 0.0004328700000000 ] - [ 0.0001927300000000, -0.0001341700000000, 0.0001912200000000 ] - [ -0.0012416200000000, 0.0003837100000000, 0.0006222300000000 ] - [ -0.0073495200000000, 0.0090732200000000, 0.0086399300000000 ] - [ -0.0002877700000000, -0.0001299000000000, 0.0003511200000000 ] - [ 0.0015499200000000, -0.0000032500000000, -0.0000726200000000 ] - [ -0.0002254700000000, -0.0011757700000000, 0.0000344000000000 ] - [ -0.0001572000000000, -0.0001813200000000, 0.0002389700000000 ] - [ 0.0006315700000000, -0.0011017900000000, 0.0003746000000000 ] - [ 0.0027886700000000, 0.0024103000000000, -0.0057416600000000 ] - [ 0.0008621900000000, 0.0007634400000000, -0.0007083900000000 ] - [ 0.0005608000000000, -0.0000263500000000, -0.0012653100000000 ] - [ -0.0007969800000000, -0.0006805400000000, -0.0048917600000000 ] - [ 0.0004057200000000, 0.0004072800000000, -0.0003974200000000 ] - [ 0.0015267400000000, 0.0012026600000000, -0.0010200900000000 ] - [ -0.0019380200000000, -0.0004509900000000, 0.0034636300000000 ] - [ 0.0001351400000000, 0.0004278900000000, 0.0003753400000000 ] - [ -0.0002548300000000, 0.0004848600000000, 0.0011910000000000 ] - [ -0.0006870900000000, 0.0003035100000000, 0.0037188200000000 ] - [ 0.0002416900000000, 0.0002461000000000, 0.0002841500000000 ] - [ 0.0000772700000000, 0.0004943800000000, 0.0007151100000000 ] - [ 0.0003636500000000, 0.0085079100000000, 0.0158827500000000 ] - [ 0.0016168300000000, 0.0011157900000000, 0.0004792700000000 ] - [ -0.0010736800000000, -0.0002293000000000, -0.0000287600000000 ] - [ -0.0005983200000000, -0.0010564400000000, -0.0002613200000000 ] - [ 0.0003114700000000, -0.0000269400000000, 0.0000414500000000 ] - [ -0.0000813900000000, -0.0000237100000000, -0.0001216100000000 ] - [ -0.0009313000000000, -0.0121752900000000, 0.0158255900000000 ] - [ -0.0000712500000000, -0.0002074700000000, 0.0002431200000000 ] - [ 0.0014307800000000, -0.0000937400000000, 0.0003351400000000 ] - [ 0.0001874600000000, 0.0010356200000000, -0.0001001100000000 ] - [ 0.0001397800000000, -0.0000140200000000, 0.0001523800000000 ] - [ 0.0011223600000000, 0.0006299800000000, 0.0005885700000000 ] - [ -0.0535757200000000, -0.0034730200000000, -0.1340949300000000 ] - [ 0.0001582900000000, -0.0005474800000000, -0.0010153400000000 ] - [ 0.0002932500000000, -0.0006558900000000, -0.0010048800000000 ] - [ -0.0003868800000000, -0.0002027600000000, -0.0006672200000000 ] - [ -0.0000427500000000, -0.0004260500000000, -0.0002679200000000 ] - [ -0.0000795700000000, -0.0002209000000000, -0.0002607900000000 ] - [ -0.0000095600000000, 0.0003112600000000, 0.0050944400000000 ] - [ 0.0006377700000000, 0.0000779200000000, 0.0014121200000000 ] - [ 0.0012293300000000, -0.0005612500000000, 0.0014198300000000 ] - [ -0.0002564700000000, -0.0000144900000000, 0.0007169100000000 ] - [ 0.0001172600000000, -0.0002077000000000, 0.0004018900000000 ] - [ -0.0000005000000000, -0.0001733000000000, 0.0004062700000000 ] - [ -0.0112580700000000, -0.0025266600000000, 0.0052174100000000 ] - [ 0.0083752900000000, 0.0009945000000000, 0.0036382900000000 ] - [ 0.0003297400000000, -0.0003452700000000, -0.0001254600000000 ] - [ -0.0000536500000000, 0.0002013300000000, -0.0003412200000000 ] - [ 0.0003205300000000, -0.0001741000000000, -0.0002596700000000 ] - [ 0.0002309000000000, -0.0000927800000000, -0.0002042300000000 ] - [ 0.0100288200000000, -0.0072973000000000, 0.0182425900000000 ] - [ -0.0015587900000000, -0.0007307900000000, 0.0006139300000000 ] - [ 0.0005504000000000, -0.0002951300000000, 0.0002818300000000 ] - [ -0.0000370900000000, -0.0003221500000000, 0.0001620700000000 ] - [ -0.0000792200000000, -0.0003317000000000, 0.0002172500000000 ] - [ 0.0003569200000000, -0.0002203800000000, 0.0001720400000000 ] - [ 0.0101327300000000, -0.0106754100000000, -0.0055609400000000 ] - [ -0.0036147600000000, -0.0004516300000000, -0.0025792000000000 ] - [ 0.0002696000000000, -0.0004039000000000, -0.0003629300000000 ] - [ -0.0009694200000000, 0.0008584000000000, -0.0009696400000000 ] - [ -0.0011651500000000, 0.0005613000000000, -0.0010210600000000 ] - [ 0.0001765100000000, -0.0001359300000000, -0.0001199500000000 ] - [ 0.0000211400000000, 0.0010912600000000, 0.0058010400000000 ] - [ 0.0008724800000000, -0.0001101700000000, 0.0019160900000000 ] - [ 0.0004588500000000, -0.0002140400000000, 0.0005591900000000 ] - [ -0.0000915700000000, 0.0001785300000000, 0.0006639400000000 ] - [ 0.0011469100000000, -0.0007260300000000, 0.0010372000000000 ] - [ 0.0002164000000000, -0.0000194500000000, 0.0003442400000000 ] - [ 0.0086910600000000, 0.0064532400000000, -0.0069293500000000 ] - [ -0.0015081000000000, 0.0005520500000000, -0.0032132400000000 ] - [ 0.0006824300000000, -0.0000156500000000, -0.0005765700000000 ] - [ 0.0000795000000000, -0.0006881700000000, -0.0013949700000000 ] - [ -0.0000155200000000, -0.0008925500000000, -0.0012583800000000 ] - [ 0.0005143800000000, -0.0000318400000000, -0.0004942000000000 ] - [ -0.0019567700000000, -0.0010005000000000, 0.0028865200000000 ] - [ 0.0002154800000000, -0.0004557900000000, 0.0013723700000000 ] - [ 0.0003677300000000, -0.0001382100000000, -0.0000509400000000 ] - [ -0.0002063600000000, -0.0000581800000000, 0.0010037900000000 ] - [ 0.0003865800000000, 0.0006717200000000, 0.0007087400000000 ] - [ 0.0002980600000000, -0.0000079300000000, -0.0000537500000000 ] - [ -0.0079915300000000, 0.0054973500000000, 0.0062267400000000 ] - [ 0.0005850100000000, 0.0013084700000000, -0.0008527500000000 ] - [ 0.0001229800000000, 0.0003271100000000, -0.0003003200000000 ] - [ -0.0009519300000000, -0.0001026600000000, -0.0010405300000000 ] - [ 0.0012604100000000, -0.0013520200000000, -0.0004537400000000 ] - [ 0.0002165400000000, 0.0001782900000000, -0.0003116800000000 ] - [ 0.0008436500000000, -0.0016727700000000, 0.0004117600000000 ] - [ -0.0010147200000000, 0.0001214600000000, 0.0008279100000000 ] - [ 0.0002269700000000, 0.0002104700000000, -0.0000598100000000 ] - [ 0.0000488800000000, 0.0022400600000000, 0.0007636500000000 ] - [ -0.0017204400000000, 0.0014104400000000, 0.0004339900000000 ] - [ 0.0001821700000000, 0.0003939900000000, 0.0000242900000000 ]- atom: 85 displacement: [ 0.0000724750264154, 0.0000000000000000, -0.0099997373650784 ] forces: - [ 0.0032507100000000, -0.0035181400000000, -0.0005847600000000 ] - [ -0.0064419300000000, -0.0094637100000000, -0.0038024200000000 ] - [ 0.0005100800000000, 0.0000499400000000, -0.0004007500000000 ] - [ 0.0023612100000000, 0.0039422800000000, 0.0004516000000000 ] - [ -0.0032681300000000, 0.0047042100000000, -0.0042879400000000 ] - [ 0.0004941400000000, 0.0002044700000000, -0.0002033200000000 ] - [ -0.0022289500000000, 0.0001527300000000, 0.0039365000000000 ] - [ 0.0040664200000000, 0.0053420100000000, 0.0055839800000000 ] - [ 0.0009623300000000, 0.0005448700000000, 0.0005791000000000 ] - [ -0.0004995500000000, -0.0002752900000000, 0.0007819800000000 ] - [ 0.0029352600000000, -0.0043064300000000, 0.0033907500000000 ] - [ 0.0007377800000000, -0.0001814000000000, 0.0003270400000000 ] - [ -0.0191074000000000, -0.0164925500000000, -0.0433155500000000 ] - [ -0.0018414100000000, 0.0012259800000000, -0.0010278700000000 ] - [ 0.0019834600000000, 0.0003397500000000, -0.0008821000000000 ] - [ -0.0003029700000000, 0.0010019400000000, -0.0013774000000000 ] - [ -0.0003459800000000, 0.0008449400000000, -0.0001510500000000 ] - [ 0.0008188000000000, 0.0008168000000000, -0.0005287100000000 ] - [ -0.0066438600000000, 0.0003137000000000, 0.0127197800000000 ] - [ 0.0033288500000000, -0.0002246700000000, 0.0044125700000000 ] - [ -0.0000051700000000, 0.0007172600000000, 0.0012532100000000 ] - [ -0.0007753900000000, 0.0014704200000000, 0.0016176900000000 ] - [ 0.0007384100000000, 0.0008192500000000, 0.0001694800000000 ] - [ -0.0001387800000000, 0.0011580700000000, 0.0003391400000000 ] - [ -0.0055885400000000, -0.0041999500000000, -0.0182743200000000 ] - [ 0.0027133600000000, 0.0022461900000000, -0.0046214900000000 ] - [ 0.0001273300000000, -0.0006180100000000, -0.0013243500000000 ] - [ -0.0018474900000000, -0.0011018100000000, -0.0024340000000000 ] - [ 0.0006988800000000, -0.0011987100000000, -0.0014557300000000 ] - [ 0.0006684500000000, -0.0000467000000000, -0.0009086900000000 ] - [ -0.0008140100000000, -0.0052351600000000, 0.0111365300000000 ] - [ -0.0006334100000000, -0.0005241400000000, 0.0022568700000000 ] - [ 0.0011465600000000, -0.0012947300000000, 0.0010152700000000 ] - [ -0.0007905000000000, 0.0011081400000000, 0.0027946600000000 ] - [ -0.0001736600000000, -0.0001663800000000, 0.0013545800000000 ] - [ 0.0006815200000000, -0.0002934200000000, 0.0008719700000000 ] - [ -0.0012289400000000, -0.0033868900000000, -0.0067189800000000 ] - [ -0.0194121000000000, 0.0157801200000000, -0.0276369500000000 ] - [ 0.0009248900000000, -0.0001369800000000, -0.0006841500000000 ] - [ -0.0013856500000000, 0.0014803700000000, -0.0022066300000000 ] - [ 0.0004490600000000, 0.0013505700000000, -0.0011634700000000 ] - [ 0.0004405700000000, 0.0002592200000000, -0.0002950300000000 ] - [ 0.0039040300000000, 0.0043105400000000, 0.0044789100000000 ] - [ -0.0037899300000000, 0.0002173800000000, 0.0069141800000000 ] - [ 0.0006081100000000, -0.0001393000000000, 0.0006247700000000 ] - [ 0.0004254100000000, -0.0005352600000000, 0.0014809400000000 ] - [ -0.0005975800000000, -0.0004192500000000, 0.0013079000000000 ] - [ 0.0003183100000000, 0.0000689300000000, 0.0004115200000000 ] - [ 0.0007525800000000, 0.0060870700000000, -0.0104938200000000 ] - [ -0.0011995000000000, 0.0005187400000000, 0.0004397300000000 ] - [ 0.0005948600000000, 0.0002539300000000, -0.0001520400000000 ] - [ 0.0000644500000000, -0.0015478800000000, 0.0000401600000000 ] - [ -0.0004886900000000, -0.0002162800000000, 0.0002923800000000 ] - [ 0.0009198900000000, -0.0007613100000000, -0.0001460500000000 ] - [ 0.0071721700000000, -0.0096093800000000, -0.0082652400000000 ] - [ -0.0000195200000000, -0.0002147300000000, 0.0001417100000000 ] - [ -0.0019017800000000, -0.0003727300000000, 0.0005644500000000 ] - [ -0.0000686800000000, 0.0007992500000000, 0.0004663200000000 ] - [ -0.0001412900000000, -0.0001679700000000, 0.0002482600000000 ] - [ -0.0009749100000000, 0.0007357400000000, 0.0001106600000000 ] - [ -0.0025595600000000, -0.0017857900000000, 0.0058093300000000 ] - [ -0.0005887700000000, -0.0000432900000000, 0.0007813200000000 ] - [ -0.0002918600000000, 0.0007675500000000, 0.0013716700000000 ] - [ 0.0010561000000000, 0.0015408700000000, 0.0049881100000000 ] - [ -0.0001348500000000, 0.0003206000000000, 0.0004679900000000 ] - [ -0.0012695900000000, -0.0004760700000000, 0.0011229500000000 ] - [ 0.0021976700000000, 0.0011934900000000, -0.0033976200000000 ] - [ 0.0001474100000000, 0.0002971900000000, -0.0003054500000000 ] - [ 0.0005254900000000, 0.0002515500000000, -0.0011003300000000 ] - [ 0.0009384100000000, 0.0004068000000000, -0.0036661600000000 ] - [ 0.0000392600000000, 0.0004805400000000, -0.0002121900000000 ] - [ 0.0001877700000000, 0.0002361200000000, -0.0006209700000000 ] - [ -0.0002230100000000, -0.0084915200000000, -0.0155746300000000 ] - [ -0.0015091300000000, -0.0012353900000000, -0.0004221300000000 ] - [ 0.0011782400000000, 0.0000929200000000, 0.0000846500000000 ] - [ 0.0007262400000000, 0.0009188500000000, 0.0003072400000000 ] - [ -0.0001990200000000, -0.0000884500000000, 0.0000191300000000 ] - [ 0.0001835300000000, -0.0001210500000000, 0.0001779300000000 ] - [ 0.0010891600000000, 0.0122182100000000, -0.0159735000000000 ] - [ 0.0001795400000000, 0.0000802000000000, -0.0001671900000000 ] - [ -0.0013357800000000, -0.0000441500000000, -0.0002784700000000 ] - [ -0.0000473400000000, -0.0011803600000000, 0.0001750400000000 ] - [ -0.0000248600000000, -0.0001023400000000, -0.0000855400000000 ] - [ -0.0010243200000000, -0.0007765600000000, -0.0005333100000000 ] - [ 0.0553122800000000, 0.0038377500000000, 0.1367594000000000 ] - [ -0.0003417400000000, -0.0000700300000000, 0.0010889700000000 ] - [ -0.0004367000000000, 0.0000505200000000, 0.0010978700000000 ] - [ 0.0002542100000000, -0.0004098300000000, 0.0007437100000000 ] - [ -0.0001319700000000, -0.0001894100000000, 0.0003468200000000 ] - [ -0.0000537900000000, -0.0003913400000000, 0.0003546300000000 ] - [ -0.0001240500000000, -0.0009358900000000, -0.0050403900000000 ] - [ -0.0008118300000000, -0.0006988600000000, -0.0013379800000000 ] - [ -0.0013809900000000, -0.0000459000000000, -0.0013385400000000 ] - [ 0.0001167700000000, -0.0006035000000000, -0.0006486100000000 ] - [ -0.0002896100000000, -0.0004091600000000, -0.0003238300000000 ] - [ -0.0001359000000000, -0.0004392000000000, -0.0003174600000000 ] - [ 0.0113140300000000, 0.0019189600000000, -0.0053226600000000 ] - [ -0.0081791200000000, -0.0016056900000000, -0.0037324100000000 ] - [ -0.0001942700000000, -0.0002724300000000, 0.0000523400000000 ] - [ 0.0001899800000000, -0.0008113000000000, 0.0002429100000000 ] - [ -0.0001493000000000, -0.0004404500000000, 0.0001768300000000 ] - [ -0.0000921100000000, -0.0005264700000000, 0.0001335900000000 ] - [ -0.0099914000000000, 0.0067774400000000, -0.0185510200000000 ] - [ 0.0017504100000000, 0.0001147600000000, -0.0006800700000000 ] - [ -0.0004169000000000, -0.0003239400000000, -0.0003556500000000 ] - [ 0.0001742800000000, -0.0002908900000000, -0.0002502700000000 ] - [ 0.0002542500000000, -0.0002842900000000, -0.0002936000000000 ] - [ -0.0002194100000000, -0.0003982200000000, -0.0002446700000000 ] - [ -0.0103098400000000, 0.0105911900000000, 0.0055861300000000 ] - [ 0.0034645800000000, 0.0003100300000000, 0.0025328900000000 ] - [ -0.0004051400000000, 0.0002708100000000, 0.0003055400000000 ] - [ 0.0008802200000000, -0.0010073900000000, 0.0009229500000000 ] - [ 0.0010505500000000, -0.0006697000000000, 0.0009622400000000 ] - [ -0.0003102800000000, 0.0000003200000000, 0.0000610100000000 ] - [ -0.0001466400000000, -0.0012277400000000, -0.0058939900000000 ] - [ -0.0009755300000000, -0.0000157400000000, -0.0019803900000000 ] - [ -0.0005943300000000, 0.0000792300000000, -0.0006211100000000 ] - [ -0.0000131600000000, -0.0003233800000000, -0.0007265100000000 ] - [ -0.0012590500000000, 0.0006081300000000, -0.0011018700000000 ] - [ -0.0003476200000000, -0.0001200800000000, -0.0004056600000000 ] - [ -0.0083935700000000, -0.0068753800000000, 0.0065633300000000 ] - [ 0.0017374700000000, -0.0008695000000000, 0.0027955700000000 ] - [ -0.0003956700000000, -0.0003712600000000, 0.0000886000000000 ] - [ 0.0002616700000000, 0.0003206800000000, 0.0009184700000000 ] - [ 0.0003071000000000, 0.0005462200000000, 0.0007829200000000 ] - [ -0.0002239600000000, -0.0003538300000000, 0.0000058200000000 ] - [ 0.0022930200000000, 0.0006190300000000, -0.0033874700000000 ] - [ 0.0000883700000000, 0.0001057500000000, -0.0018635600000000 ] - [ -0.0000763100000000, -0.0002479100000000, -0.0004397300000000 ] - [ 0.0005428700000000, -0.0003127300000000, -0.0014974100000000 ] - [ -0.0000830200000000, -0.0010127600000000, -0.0011950700000000 ] - [ -0.0000032700000000, -0.0003760700000000, -0.0004384200000000 ] - [ 0.0078276200000000, -0.0048278400000000, -0.0063506300000000 ] - [ -0.0008592000000000, -0.0005844500000000, 0.0007618600000000 ] - [ -0.0003701500000000, 0.0003959600000000, 0.0002291100000000 ] - [ 0.0006944100000000, 0.0008259400000000, 0.0009433300000000 ] - [ -0.0015492200000000, 0.0020974100000000, 0.0003591100000000 ] - [ -0.0004645900000000, 0.0005437500000000, 0.0002398000000000 ] - [ -0.0011274200000000, 0.0024292900000000, -0.0005046000000000 ] - [ 0.0007403300000000, 0.0006031700000000, -0.0008945600000000 ] - [ -0.0004761200000000, 0.0005132900000000, -0.0000109400000000 ] - [ -0.0003233400000000, -0.0015272500000000, -0.0008631500000000 ] - [ 0.0014525200000000, -0.0006942700000000, -0.0004879700000000 ] - [ -0.0004333300000000, 0.0003288200000000, -0.0000952300000000 ]