# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/f8dbbc68-2e8b-4f3b-84d1-06421be997eb/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 GaSeBr7 / Pc (7) / materials id 23376](https://mdr.nims.go.jp/datasets/9424bbde-e495-4593-ace5-67149df67811) ## 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: "Pc" number: 7 Hall_symbol: "P -2yc"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 6.520339900000000, 0.000000000000000, 0.139873340000000 ] # a - [ 0.000000000000000, 6.384508240000000, 0.000000000000000 ] # b - [ -3.161145000000000, 0.000000000000000, 14.558432220000000 ] # c points: - symbol: Ga # 1 coordinates: [ 0.678387250000000, 0.008529270000000, 0.500347720000000 ] mass: 69.723000 - symbol: Ga # 2 coordinates: [ 0.678387250000000, 0.991470730000000, 0.000347720000000 ] mass: 69.723000 - symbol: Se # 3 coordinates: [ 0.937688510000000, 0.423320890000000, 0.661533970000000 ] mass: 78.960000 - symbol: Se # 4 coordinates: [ 0.937688510000000, 0.576679110000000, 0.161533970000000 ] mass: 78.960000 - symbol: Br # 5 coordinates: [ 0.778241660000000, 0.378447730000000, 0.263335570000000 ] mass: 79.904000 - symbol: Br # 6 coordinates: [ 0.778241660000000, 0.621552270000000, 0.763335570000000 ] mass: 79.904000 - symbol: Br # 7 coordinates: [ 0.013829360000000, 0.856514770000000, 0.004731710000000 ] mass: 79.904000 - symbol: Br # 8 coordinates: [ 0.013829360000000, 0.143485230000000, 0.504731710000000 ] mass: 79.904000 - symbol: Br # 9 coordinates: [ 0.573429280000000, 0.863303940000000, 0.133254830000000 ] mass: 79.904000 - symbol: Br # 10 coordinates: [ 0.573429280000000, 0.136696060000000, 0.633254830000000 ] mass: 79.904000 - symbol: Br # 11 coordinates: [ 0.459054290000000, 0.859419000000000, 0.869307490000000 ] mass: 79.904000 - symbol: Br # 12 coordinates: [ 0.459054290000000, 0.140581000000000, 0.369307490000000 ] mass: 79.904000 - symbol: Br # 13 coordinates: [ 0.654407000000000, 0.355763900000000, 0.996822940000000 ] mass: 79.904000 - symbol: Br # 14 coordinates: [ 0.654407000000000, 0.644236100000000, 0.496822940000000 ] mass: 79.904000 - symbol: Br # 15 coordinates: [ 0.210192590000000, 0.650060380000000, 0.640698200000000 ] mass: 79.904000 - symbol: Br # 16 coordinates: [ 0.210192590000000, 0.349939620000000, 0.140698200000000 ] mass: 79.904000 - symbol: Br # 17 coordinates: [ 0.142020040000000, 0.191722950000000, 0.766837570000000 ] mass: 79.904000 - symbol: Br # 18 coordinates: [ 0.142020040000000, 0.808277050000000, 0.266837570000000 ] mass: 79.904000 reciprocal_lattice: # without 2pi - [ 0.152655178166401, 0.000000000000000, 0.033146780222797 ] # a* - [ 0.000000000000000, 0.156629134525167, 0.000000000000000 ] # b* - [ -0.001466668204087, 0.000000000000000, 0.068370249907307 ] # c*unit_cell: lattice: - [ 6.520339900000000, 0.000000000000000, 0.139873340000000 ] # a - [ 0.000000000000000, 6.384508240000000, 0.000000000000000 ] # b - [ -3.161145000000000, 0.000000000000000, 14.558432220000000 ] # c points: - symbol: Ga # 1 coordinates: [ 0.678387250000000, 0.008529270000000, 0.500347720000000 ] mass: 69.723000 reduced_to: 1 - symbol: Ga # 2 coordinates: [ 0.678387250000000, 0.991470730000000, 0.000347720000000 ] mass: 69.723000 reduced_to: 2 - symbol: Se # 3 coordinates: [ 0.937688510000000, 0.423320890000000, 0.661533970000000 ] mass: 78.960000 reduced_to: 3 - symbol: Se # 4 coordinates: [ 0.937688510000000, 0.576679110000000, 0.161533970000000 ] mass: 78.960000 reduced_to: 4 - symbol: Br # 5 coordinates: [ 0.778241660000000, 0.378447730000000, 0.263335570000000 ] mass: 79.904000 reduced_to: 5 - symbol: Br # 6 coordinates: [ 0.778241660000000, 0.621552270000000, 0.763335570000000 ] mass: 79.904000 reduced_to: 6 - symbol: Br # 7 coordinates: [ 0.013829360000000, 0.856514770000000, 0.004731710000000 ] mass: 79.904000 reduced_to: 7 - symbol: Br # 8 coordinates: [ 0.013829360000000, 0.143485230000000, 0.504731710000000 ] mass: 79.904000 reduced_to: 8 - symbol: Br # 9 coordinates: [ 0.573429280000000, 0.863303940000000, 0.133254830000000 ] mass: 79.904000 reduced_to: 9 - symbol: Br # 10 coordinates: [ 0.573429280000000, 0.136696060000000, 0.633254830000000 ] mass: 79.904000 reduced_to: 10 - symbol: Br # 11 coordinates: [ 0.459054290000000, 0.859419000000000, 0.869307490000000 ] mass: 79.904000 reduced_to: 11 - symbol: Br # 12 coordinates: [ 0.459054290000000, 0.140581000000000, 0.369307490000000 ] mass: 79.904000 reduced_to: 12 - symbol: Br # 13 coordinates: [ 0.654407000000000, 0.355763900000000, 0.996822940000000 ] mass: 79.904000 reduced_to: 13 - symbol: Br # 14 coordinates: [ 0.654407000000000, 0.644236100000000, 0.496822940000000 ] mass: 79.904000 reduced_to: 14 - symbol: Br # 15 coordinates: [ 0.210192590000000, 0.650060380000000, 0.640698200000000 ] mass: 79.904000 reduced_to: 15 - symbol: Br # 16 coordinates: [ 0.210192590000000, 0.349939620000000, 0.140698200000000 ] mass: 79.904000 reduced_to: 16 - symbol: Br # 17 coordinates: [ 0.142020040000000, 0.191722950000000, 0.766837570000000 ] mass: 79.904000 reduced_to: 17 - symbol: Br # 18 coordinates: [ 0.142020040000000, 0.808277050000000, 0.266837570000000 ] mass: 79.904000 reduced_to: 18supercell: lattice: - [ 13.040679799999999, 0.000000000000000, 0.279746680000000 ] # a - [ 0.000000000000000, 19.153524720000000, 0.000000000000000 ] # b - [ -3.161145000000000, 0.000000000000000, 14.558432220000000 ] # c points: - symbol: Ga # 1 coordinates: [ 0.339193625000000, 0.002843090000000, 0.500347720000000 ] mass: 69.723000 reduced_to: 1 - symbol: Ga # 2 coordinates: [ 0.839193625000000, 0.002843090000000, 0.500347720000000 ] mass: 69.723000 reduced_to: 1 - symbol: Ga # 3 coordinates: [ 0.339193625000000, 0.336176423333333, 0.500347720000000 ] mass: 69.723000 reduced_to: 1 - symbol: Ga # 4 coordinates: [ 0.839193625000000, 0.336176423333333, 0.500347720000000 ] mass: 69.723000 reduced_to: 1 - symbol: Ga # 5 coordinates: [ 0.339193625000000, 0.669509756666667, 0.500347720000000 ] mass: 69.723000 reduced_to: 1 - symbol: Ga # 6 coordinates: [ 0.839193625000000, 0.669509756666667, 0.500347720000000 ] mass: 69.723000 reduced_to: 1 - symbol: Ga # 7 coordinates: [ 0.339193625000000, 0.330490243333333, 0.000347720000000 ] mass: 69.723000 reduced_to: 7 - symbol: Ga # 8 coordinates: [ 0.839193625000000, 0.330490243333333, 0.000347720000000 ] mass: 69.723000 reduced_to: 7 - symbol: Ga # 9 coordinates: [ 0.339193625000000, 0.663823576666667, 0.000347720000000 ] mass: 69.723000 reduced_to: 7 - symbol: Ga # 10 coordinates: [ 0.839193625000000, 0.663823576666667, 0.000347720000000 ] mass: 69.723000 reduced_to: 7 - symbol: Ga # 11 coordinates: [ 0.339193625000000, 0.997156910000000, 0.000347720000000 ] mass: 69.723000 reduced_to: 7 - symbol: Ga # 12 coordinates: [ 0.839193625000000, 0.997156910000000, 0.000347720000000 ] mass: 69.723000 reduced_to: 7 - symbol: Se # 13 coordinates: [ 0.468844255000000, 0.141106963333333, 0.661533970000000 ] mass: 78.960000 reduced_to: 13 - symbol: Se # 14 coordinates: [ 0.968844255000000, 0.141106963333333, 0.661533970000000 ] mass: 78.960000 reduced_to: 13 - symbol: Se # 15 coordinates: [ 0.468844255000000, 0.474440296666667, 0.661533970000000 ] mass: 78.960000 reduced_to: 13 - symbol: Se # 16 coordinates: [ 0.968844255000000, 0.474440296666667, 0.661533970000000 ] mass: 78.960000 reduced_to: 13 - symbol: Se # 17 coordinates: [ 0.468844255000000, 0.807773630000000, 0.661533970000000 ] mass: 78.960000 reduced_to: 13 - symbol: Se # 18 coordinates: [ 0.968844255000000, 0.807773630000000, 0.661533970000000 ] mass: 78.960000 reduced_to: 13 - symbol: Se # 19 coordinates: [ 0.468844255000000, 0.192226370000000, 0.161533970000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 20 coordinates: [ 0.968844255000000, 0.192226370000000, 0.161533970000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 21 coordinates: [ 0.468844255000000, 0.525559703333333, 0.161533970000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 22 coordinates: [ 0.968844255000000, 0.525559703333333, 0.161533970000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 23 coordinates: [ 0.468844255000000, 0.858893036666667, 0.161533970000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 24 coordinates: [ 0.968844255000000, 0.858893036666667, 0.161533970000000 ] mass: 78.960000 reduced_to: 19 - symbol: Br # 25 coordinates: [ 0.389120830000000, 0.126149243333333, 0.263335570000000 ] mass: 79.904000 reduced_to: 25 - symbol: Br # 26 coordinates: [ 0.889120830000000, 0.126149243333333, 0.263335570000000 ] mass: 79.904000 reduced_to: 25 - symbol: Br # 27 coordinates: [ 0.389120830000000, 0.459482576666667, 0.263335570000000 ] mass: 79.904000 reduced_to: 25 - symbol: Br # 28 coordinates: [ 0.889120830000000, 0.459482576666667, 0.263335570000000 ] mass: 79.904000 reduced_to: 25 - symbol: Br # 29 coordinates: [ 0.389120830000000, 0.792815910000000, 0.263335570000000 ] mass: 79.904000 reduced_to: 25 - symbol: Br # 30 coordinates: [ 0.889120830000000, 0.792815910000000, 0.263335570000000 ] mass: 79.904000 reduced_to: 25 - symbol: Br # 31 coordinates: [ 0.389120830000000, 0.207184090000000, 0.763335570000000 ] mass: 79.904000 reduced_to: 31 - symbol: Br # 32 coordinates: [ 0.889120830000000, 0.207184090000000, 0.763335570000000 ] mass: 79.904000 reduced_to: 31 - symbol: Br # 33 coordinates: [ 0.389120830000000, 0.540517423333333, 0.763335570000000 ] mass: 79.904000 reduced_to: 31 - symbol: Br # 34 coordinates: [ 0.889120830000000, 0.540517423333333, 0.763335570000000 ] mass: 79.904000 reduced_to: 31 - symbol: Br # 35 coordinates: [ 0.389120830000000, 0.873850756666667, 0.763335570000000 ] mass: 79.904000 reduced_to: 31 - symbol: Br # 36 coordinates: [ 0.889120830000000, 0.873850756666667, 0.763335570000000 ] mass: 79.904000 reduced_to: 31 - symbol: Br # 37 coordinates: [ 0.006914680000000, 0.285504923333333, 0.004731710000000 ] mass: 79.904000 reduced_to: 37 - symbol: Br # 38 coordinates: [ 0.506914680000000, 0.285504923333333, 0.004731710000000 ] mass: 79.904000 reduced_to: 37 - symbol: Br # 39 coordinates: [ 0.006914680000000, 0.618838256666667, 0.004731710000000 ] mass: 79.904000 reduced_to: 37 - symbol: Br # 40 coordinates: [ 0.506914680000000, 0.618838256666667, 0.004731710000000 ] mass: 79.904000 reduced_to: 37 - symbol: Br # 41 coordinates: [ 0.006914680000000, 0.952171590000000, 0.004731710000000 ] mass: 79.904000 reduced_to: 37 - symbol: Br # 42 coordinates: [ 0.506914680000000, 0.952171590000000, 0.004731710000000 ] mass: 79.904000 reduced_to: 37 - symbol: Br # 43 coordinates: [ 0.006914680000000, 0.047828410000000, 0.504731710000000 ] mass: 79.904000 reduced_to: 43 - symbol: Br # 44 coordinates: [ 0.506914680000000, 0.047828410000000, 0.504731710000000 ] mass: 79.904000 reduced_to: 43 - symbol: Br # 45 coordinates: [ 0.006914680000000, 0.381161743333333, 0.504731710000000 ] mass: 79.904000 reduced_to: 43 - symbol: Br # 46 coordinates: [ 0.506914680000000, 0.381161743333333, 0.504731710000000 ] mass: 79.904000 reduced_to: 43 - symbol: Br # 47 coordinates: [ 0.006914680000000, 0.714495076666667, 0.504731710000000 ] mass: 79.904000 reduced_to: 43 - symbol: Br # 48 coordinates: [ 0.506914680000000, 0.714495076666667, 0.504731710000000 ] mass: 79.904000 reduced_to: 43 - symbol: Br # 49 coordinates: [ 0.286714640000000, 0.287767980000000, 0.133254830000000 ] mass: 79.904000 reduced_to: 49 - symbol: Br # 50 coordinates: [ 0.786714640000000, 0.287767980000000, 0.133254830000000 ] mass: 79.904000 reduced_to: 49 - symbol: Br # 51 coordinates: [ 0.286714640000000, 0.621101313333333, 0.133254830000000 ] mass: 79.904000 reduced_to: 49 - symbol: Br # 52 coordinates: [ 0.786714640000000, 0.621101313333333, 0.133254830000000 ] mass: 79.904000 reduced_to: 49 - symbol: Br # 53 coordinates: [ 0.286714640000000, 0.954434646666667, 0.133254830000000 ] mass: 79.904000 reduced_to: 49 - symbol: Br # 54 coordinates: [ 0.786714640000000, 0.954434646666667, 0.133254830000000 ] mass: 79.904000 reduced_to: 49 - symbol: Br # 55 coordinates: [ 0.286714640000000, 0.045565353333333, 0.633254830000000 ] mass: 79.904000 reduced_to: 55 - symbol: Br # 56 coordinates: [ 0.786714640000000, 0.045565353333333, 0.633254830000000 ] mass: 79.904000 reduced_to: 55 - symbol: Br # 57 coordinates: [ 0.286714640000000, 0.378898686666667, 0.633254830000000 ] mass: 79.904000 reduced_to: 55 - symbol: Br # 58 coordinates: [ 0.786714640000000, 0.378898686666667, 0.633254830000000 ] mass: 79.904000 reduced_to: 55 - symbol: Br # 59 coordinates: [ 0.286714640000000, 0.712232020000000, 0.633254830000000 ] mass: 79.904000 reduced_to: 55 - symbol: Br # 60 coordinates: [ 0.786714640000000, 0.712232020000000, 0.633254830000000 ] mass: 79.904000 reduced_to: 55 - symbol: Br # 61 coordinates: [ 0.229527145000000, 0.286473000000000, 0.869307490000000 ] mass: 79.904000 reduced_to: 61 - symbol: Br # 62 coordinates: [ 0.729527145000000, 0.286473000000000, 0.869307490000000 ] mass: 79.904000 reduced_to: 61 - symbol: Br # 63 coordinates: [ 0.229527145000000, 0.619806333333333, 0.869307490000000 ] mass: 79.904000 reduced_to: 61 - symbol: Br # 64 coordinates: [ 0.729527145000000, 0.619806333333333, 0.869307490000000 ] mass: 79.904000 reduced_to: 61 - symbol: Br # 65 coordinates: [ 0.229527145000000, 0.953139666666667, 0.869307490000000 ] mass: 79.904000 reduced_to: 61 - symbol: Br # 66 coordinates: [ 0.729527145000000, 0.953139666666667, 0.869307490000000 ] mass: 79.904000 reduced_to: 61 - symbol: Br # 67 coordinates: [ 0.229527145000000, 0.046860333333333, 0.369307490000000 ] mass: 79.904000 reduced_to: 67 - symbol: Br # 68 coordinates: [ 0.729527145000000, 0.046860333333333, 0.369307490000000 ] mass: 79.904000 reduced_to: 67 - symbol: Br # 69 coordinates: [ 0.229527145000000, 0.380193666666667, 0.369307490000000 ] mass: 79.904000 reduced_to: 67 - symbol: Br # 70 coordinates: [ 0.729527145000000, 0.380193666666667, 0.369307490000000 ] mass: 79.904000 reduced_to: 67 - symbol: Br # 71 coordinates: [ 0.229527145000000, 0.713527000000000, 0.369307490000000 ] mass: 79.904000 reduced_to: 67 - symbol: Br # 72 coordinates: [ 0.729527145000000, 0.713527000000000, 0.369307490000000 ] mass: 79.904000 reduced_to: 67 - symbol: Br # 73 coordinates: [ 0.327203500000000, 0.118587966666667, 0.996822940000000 ] mass: 79.904000 reduced_to: 73 - symbol: Br # 74 coordinates: [ 0.827203500000000, 0.118587966666667, 0.996822940000000 ] mass: 79.904000 reduced_to: 73 - symbol: Br # 75 coordinates: [ 0.327203500000000, 0.451921300000000, 0.996822940000000 ] mass: 79.904000 reduced_to: 73 - symbol: Br # 76 coordinates: [ 0.827203500000000, 0.451921300000000, 0.996822940000000 ] mass: 79.904000 reduced_to: 73 - symbol: Br # 77 coordinates: [ 0.327203500000000, 0.785254633333333, 0.996822940000000 ] mass: 79.904000 reduced_to: 73 - symbol: Br # 78 coordinates: [ 0.827203500000000, 0.785254633333333, 0.996822940000000 ] mass: 79.904000 reduced_to: 73 - symbol: Br # 79 coordinates: [ 0.327203500000000, 0.214745366666667, 0.496822940000000 ] mass: 79.904000 reduced_to: 79 - symbol: Br # 80 coordinates: [ 0.827203500000000, 0.214745366666667, 0.496822940000000 ] mass: 79.904000 reduced_to: 79 - symbol: Br # 81 coordinates: [ 0.327203500000000, 0.548078700000000, 0.496822940000000 ] mass: 79.904000 reduced_to: 79 - symbol: Br # 82 coordinates: [ 0.827203500000000, 0.548078700000000, 0.496822940000000 ] mass: 79.904000 reduced_to: 79 - symbol: Br # 83 coordinates: [ 0.327203500000000, 0.881412033333333, 0.496822940000000 ] mass: 79.904000 reduced_to: 79 - symbol: Br # 84 coordinates: [ 0.827203500000000, 0.881412033333333, 0.496822940000000 ] mass: 79.904000 reduced_to: 79 - symbol: Br # 85 coordinates: [ 0.105096295000000, 0.216686793333333, 0.640698200000000 ] mass: 79.904000 reduced_to: 85 - symbol: Br # 86 coordinates: [ 0.605096295000000, 0.216686793333333, 0.640698200000000 ] mass: 79.904000 reduced_to: 85 - symbol: Br # 87 coordinates: [ 0.105096295000000, 0.550020126666667, 0.640698200000000 ] mass: 79.904000 reduced_to: 85 - symbol: Br # 88 coordinates: [ 0.605096295000000, 0.550020126666667, 0.640698200000000 ] mass: 79.904000 reduced_to: 85 - symbol: Br # 89 coordinates: [ 0.105096295000000, 0.883353460000000, 0.640698200000000 ] mass: 79.904000 reduced_to: 85 - symbol: Br # 90 coordinates: [ 0.605096295000000, 0.883353460000000, 0.640698200000000 ] mass: 79.904000 reduced_to: 85 - symbol: Br # 91 coordinates: [ 0.105096295000000, 0.116646540000000, 0.140698200000000 ] mass: 79.904000 reduced_to: 91 - symbol: Br # 92 coordinates: [ 0.605096295000000, 0.116646540000000, 0.140698200000000 ] mass: 79.904000 reduced_to: 91 - symbol: Br # 93 coordinates: [ 0.105096295000000, 0.449979873333333, 0.140698200000000 ] mass: 79.904000 reduced_to: 91 - symbol: Br # 94 coordinates: [ 0.605096295000000, 0.449979873333333, 0.140698200000000 ] mass: 79.904000 reduced_to: 91 - symbol: Br # 95 coordinates: [ 0.105096295000000, 0.783313206666667, 0.140698200000000 ] mass: 79.904000 reduced_to: 91 - symbol: Br # 96 coordinates: [ 0.605096295000000, 0.783313206666667, 0.140698200000000 ] mass: 79.904000 reduced_to: 91 - symbol: Br # 97 coordinates: [ 0.071010020000000, 0.063907650000000, 0.766837570000000 ] mass: 79.904000 reduced_to: 97 - symbol: Br # 98 coordinates: [ 0.571010020000000, 0.063907650000000, 0.766837570000000 ] mass: 79.904000 reduced_to: 97 - symbol: Br # 99 coordinates: [ 0.071010020000000, 0.397240983333333, 0.766837570000000 ] mass: 79.904000 reduced_to: 97 - symbol: Br # 100 coordinates: [ 0.571010020000000, 0.397240983333333, 0.766837570000000 ] mass: 79.904000 reduced_to: 97 - symbol: Br # 101 coordinates: [ 0.071010020000000, 0.730574316666667, 0.766837570000000 ] mass: 79.904000 reduced_to: 97 - symbol: Br # 102 coordinates: [ 0.571010020000000, 0.730574316666667, 0.766837570000000 ] mass: 79.904000 reduced_to: 97 - symbol: Br # 103 coordinates: [ 0.071010020000000, 0.269425683333333, 0.266837570000000 ] mass: 79.904000 reduced_to: 103 - symbol: Br # 104 coordinates: [ 0.571010020000000, 0.269425683333333, 0.266837570000000 ] mass: 79.904000 reduced_to: 103 - symbol: Br # 105 coordinates: [ 0.071010020000000, 0.602759016666667, 0.266837570000000 ] mass: 79.904000 reduced_to: 103 - symbol: Br # 106 coordinates: [ 0.571010020000000, 0.602759016666667, 0.266837570000000 ] mass: 79.904000 reduced_to: 103 - symbol: Br # 107 coordinates: [ 0.071010020000000, 0.936092350000000, 0.266837570000000 ] mass: 79.904000 reduced_to: 103 - symbol: Br # 108 coordinates: [ 0.571010020000000, 0.936092350000000, 0.266837570000000 ] mass: 79.904000 reduced_to: 103born_effective_charge:- # 1 (Ga) - [ 1.666430210000000, -0.178467080000000, 0.335611070000000 ] - [ 0.289433500000000, 3.158358780000000, 0.438683520000000 ] - [ 0.766342630000000, -0.678986260000000, 2.933038660000000 ]- # 2 (Ga) - [ 1.666430210000000, 0.178467080000000, 0.335611070000000 ] - [ -0.289433500000000, 3.158358780000000, -0.438683520000000 ] - [ 0.766342630000000, 0.678986260000000, 2.933038660000000 ]- # 3 (Se) - [ 3.164318380000000, 0.534597100000000, 0.086134360000000 ] - [ 0.569337980000000, 3.602826500000000, 0.028607840000000 ] - [ 0.277773600000000, 0.535225430000000, 2.900952920000000 ]- # 4 (Se) - [ 3.164318380000000, -0.534597100000000, 0.086134360000000 ] - [ -0.569337980000000, 3.602826500000000, -0.028607840000000 ] - [ 0.277773600000000, -0.535225430000000, 2.900952920000000 ]- # 5 (Br) - [ 0.058831470000000, -0.033854710000000, 0.053015910000000 ] - [ 0.193095340000000, -0.257434770000000, 0.144859460000000 ] - [ -0.095724290000000, 0.109785740000000, -0.319630960000000 ]- # 6 (Br) - [ 0.058831470000000, 0.033854710000000, 0.053015910000000 ] - [ -0.193095340000000, -0.257434770000000, -0.144859460000000 ] - [ -0.095724290000000, -0.109785740000000, -0.319630960000000 ]- # 7 (Br) - [ -1.025463500000000, 0.095268620000000, 0.120744630000000 ] - [ 0.320459290000000, -1.155746390000000, 0.619725240000000 ] - [ -0.209512620000000, 0.589056270000000, -1.123956650000000 ]- # 8 (Br) - [ -1.025463500000000, -0.095268620000000, 0.120744630000000 ] - [ -0.320459290000000, -1.155746390000000, -0.619725240000000 ] - [ -0.209512620000000, -0.589056270000000, -1.123956650000000 ]- # 9 (Br) - [ -1.087331080000000, 0.566499860000000, -0.042558560000000 ] - [ 0.533489520000000, -1.224126750000000, 0.595010040000000 ] - [ -0.029637740000000, 0.493136510000000, -1.100051910000000 ]- # 10 (Br) - [ -1.087331080000000, -0.566499860000000, -0.042558560000000 ] - [ -0.533489520000000, -1.224126750000000, -0.595010040000000 ] - [ -0.029637740000000, -0.493136510000000, -1.100051910000000 ]- # 11 (Br) - [ -1.402499210000000, 0.516947070000000, -0.456679120000000 ] - [ 0.808585890000000, -1.284945770000000, -0.012180010000000 ] - [ -0.614133530000000, -0.413752520000000, -1.995275670000000 ]- # 12 (Br) - [ -1.402499210000000, -0.516947070000000, -0.456679120000000 ] - [ -0.808585890000000, -1.284945770000000, 0.012180010000000 ] - [ -0.614133530000000, 0.413752520000000, -1.995275670000001 ]- # 13 (Br) - [ -0.546601820000000, -0.356579020000000, -0.311205860000000 ] - [ -0.169832710000000, -2.063947010000000, -0.491279320000000 ] - [ -0.307467050000000, -0.753331440000000, -0.937154200000000 ]- # 14 (Br) - [ -0.546601820000000, 0.356579020000000, -0.311205860000000 ] - [ 0.169832710000000, -2.063947010000000, 0.491279320000000 ] - [ -0.307467050000000, 0.753331440000000, -0.937154200000000 ]- # 15 (Br) - [ -1.045370010000000, -0.896532760000000, 0.051798800000000 ] - [ -0.944538640000000, -0.772501140000000, -0.021969270000000 ] - [ -0.052198400000000, -0.055106650000000, -0.121966870000000 ]- # 16 (Br) - [ -1.045370010000000, 0.896532760000000, 0.051798800000000 ] - [ 0.944538640000000, -0.772501140000000, 0.021969270000000 ] - [ -0.052198400000000, 0.055106650000000, -0.121966870000000 ]- # 17 (Br) - [ 0.217685570000000, -0.303285280000000, 0.163138780000000 ] - [ -0.226243980000000, -0.002483430000000, 0.118453070000000 ] - [ 0.264557410000000, -0.195348950000000, -0.235955330000000 ]- # 18 (Br) - [ 0.217685570000000, 0.303285280000000, 0.163138780000000 ] - [ 0.226243980000000, -0.002483430000000, -0.118453070000000 ] - [ 0.264557410000000, 0.195348950000000, -0.235955330000000 ]dielectric_constant: - [ 4.637266120000000, 0.000000000000000, 0.241986700000000 ] - [ 0.000000000000000, 4.894995460000000, 0.000000000000000 ] - [ 0.242006040000000, 0.000000000000000, 4.373381200000000 ]displacements:- atom: 1 displacement: [ 0.0099976998849244, 0.0000000000000000, 0.0002144691376016 ] forces: - [ -0.1073237200000000, -0.0094887900000000, -0.0067343100000000 ] - [ 0.0029460100000000, 0.0008628800000000, 0.0003047500000000 ] - [ 0.0006440500000000, 0.0012379700000000, 0.0000706900000000 ] - [ 0.0002986000000000, 0.0011205200000000, 0.0001557600000000 ] - [ 0.0006444000000000, 0.0009720700000000, 0.0000691100000000 ] - [ 0.0002957100000000, 0.0009807500000000, 0.0002474700000000 ] - [ 0.0009146300000000, -0.0007825700000000, 0.0010403300000000 ] - [ 0.0003326400000000, -0.0008353600000000, 0.0005084100000000 ] - [ 0.0003727900000000, -0.0008696700000000, 0.0003351100000000 ] - [ 0.0003402600000000, -0.0004650100000000, 0.0002349900000000 ] - [ 0.0000100200000000, -0.0010660000000000, 0.0002051600000000 ] - [ 0.0007406700000000, -0.0007914400000000, 0.0008040500000000 ] - [ -0.0107855000000000, 0.0045520900000000, 0.0096725600000000 ] - [ 0.0026967100000000, 0.0009808900000000, -0.0002483100000000 ] - [ 0.0011595700000000, 0.0009879400000000, -0.0001869300000000 ] - [ 0.0009616700000000, 0.0008377900000000, -0.0001393000000000 ] - [ -0.0017845400000000, -0.0005491200000000, -0.0009073500000000 ] - [ 0.0019698400000000, 0.0011016700000000, -0.0000698100000000 ] - [ 0.0020634600000000, -0.0007072400000000, 0.0000242400000000 ] - [ 0.0018008500000000, -0.0014559100000000, -0.0000353200000000 ] - [ 0.0010926000000000, -0.0007415800000000, -0.0000766800000000 ] - [ 0.0010104300000000, -0.0006451600000000, -0.0001394300000000 ] - [ 0.0002699200000000, -0.0012726000000000, -0.0008705400000000 ] - [ 0.0010992200000000, -0.0003468800000000, 0.0004348700000000 ] - [ -0.0039451700000000, -0.0011657200000000, -0.0000844500000000 ] - [ 0.0000183400000000, 0.0006802600000000, -0.0009394600000000 ] - [ -0.0004043200000000, 0.0003300800000000, -0.0006893900000000 ] - [ -0.0004087900000000, 0.0003189000000000, -0.0006776600000000 ] - [ -0.0003579700000000, 0.0004126400000000, -0.0006667600000000 ] - [ -0.0004590800000000, 0.0002044200000000, -0.0007520400000000 ] - [ 0.0009301300000000, -0.0016808800000000, -0.0031501200000000 ] - [ -0.0005454400000000, -0.0001909300000000, -0.0005019100000000 ] - [ -0.0004358500000000, -0.0003302800000000, -0.0006668200000000 ] - [ -0.0004418200000000, -0.0003281400000000, -0.0006695600000000 ] - [ -0.0002386500000000, -0.0002559400000000, -0.0009697000000000 ] - [ -0.0004125000000000, -0.0003161900000000, -0.0006282800000000 ] - [ 0.0000476000000000, -0.0000205500000000, -0.0001313500000000 ] - [ 0.0000461700000000, 0.0004061800000000, -0.0006728000000000 ] - [ 0.0000868900000000, -0.0000977200000000, -0.0001006200000000 ] - [ 0.0000838500000000, -0.0000143300000000, -0.0001210000000000 ] - [ -0.0001111800000000, 0.0001160000000000, -0.0003184300000000 ] - [ 0.0002302400000000, -0.0000781600000000, -0.0000420600000000 ] - [ -0.0006881100000000, -0.0003075700000000, 0.0001140000000000 ] - [ 0.0702416500000000, 0.0208151300000000, -0.0022018700000000 ] - [ 0.0000622600000000, -0.0000352700000000, -0.0001180100000000 ] - [ 0.0001417500000000, 0.0000206400000000, -0.0001011600000000 ] - [ 0.0000563300000000, 0.0000084900000000, -0.0001075900000000 ] - [ 0.0001892100000000, -0.0002618300000000, -0.0000078400000000 ] - [ 0.0004126200000000, -0.0008744000000000, -0.0004584200000000 ] - [ 0.0004134400000000, -0.0008280400000000, -0.0004276000000000 ] - [ 0.0005345100000000, -0.0009995900000000, -0.0002910300000000 ] - [ 0.0005302500000000, -0.0010688800000000, -0.0002520500000000 ] - [ 0.0007659400000000, -0.0009871100000000, -0.0002559700000000 ] - [ 0.0003921300000000, -0.0008541900000000, -0.0004740300000000 ] - [ 0.0220435600000000, -0.0063911700000000, -0.0235756000000000 ] - [ -0.0006589200000000, 0.0006061500000000, 0.0000067300000000 ] - [ 0.0004307500000000, 0.0008601400000000, -0.0002963700000000 ] - [ 0.0005580200000000, 0.0010088500000000, -0.0002549500000000 ] - [ 0.0007142600000000, 0.0013825900000000, -0.0002093000000000 ] - [ 0.0003539600000000, 0.0008198800000000, -0.0003106700000000 ] - [ 0.0002538500000000, -0.0004842700000000, -0.0004598800000000 ] - [ -0.0005661400000000, 0.0003445300000000, 0.0002763000000000 ] - [ -0.0004642000000000, 0.0003085200000000, 0.0003258000000000 ] - [ -0.0004432600000000, 0.0001321200000000, 0.0002926800000000 ] - [ -0.0004412800000000, 0.0003238100000000, 0.0003773000000000 ] - [ -0.0008413400000000, 0.0003980700000000, -0.0000186800000000 ] - [ 0.0180455700000000, -0.0116306900000000, 0.0253770200000000 ] - [ -0.0013709600000000, -0.0002632200000000, 0.0002710100000000 ] - [ -0.0004251200000000, -0.0004124800000000, 0.0005434300000000 ] - [ -0.0004090900000000, -0.0003292500000000, 0.0004889300000000 ] - [ -0.0004692000000000, -0.0001819000000000, 0.0004479700000000 ] - [ -0.0005789700000000, -0.0004405500000000, 0.0004484600000000 ] - [ 0.0001156500000000, -0.0001871300000000, 0.0005206800000000 ] - [ 0.0000051700000000, -0.0002758700000000, 0.0003449400000000 ] - [ 0.0000110000000000, -0.0003404200000000, 0.0003547100000000 ] - [ 0.0000796400000000, -0.0002616500000000, 0.0004257300000000 ] - [ 0.0001392200000000, -0.0001485500000000, 0.0005442100000000 ] - [ -0.0000892900000000, -0.0007556400000000, 0.0001552200000000 ] - [ -0.0003125300000000, -0.0002586400000000, 0.0005821000000000 ] - [ 0.0000834000000000, 0.0001842500000000, 0.0003976100000000 ] - [ 0.0000628300000000, 0.0002296500000000, 0.0004884900000000 ] - [ 0.0001102400000000, 0.0001356300000000, 0.0005202300000000 ] - [ 0.0042820100000000, 0.0058831400000000, 0.0016719900000000 ] - [ -0.0002588100000000, 0.0004000200000000, 0.0003588700000000 ] - [ -0.0017265600000000, -0.0017084600000000, -0.0003537700000000 ] - [ 0.0010280100000000, -0.0001600000000000, -0.0007394500000000 ] - [ -0.0011379700000000, -0.0013647400000000, -0.0003469000000000 ] - [ -0.0012272900000000, -0.0014084600000000, -0.0003372800000000 ] - [ -0.0014085800000000, -0.0012717300000000, -0.0005177600000000 ] - [ 0.0006509800000000, -0.0005592100000000, -0.0001521800000000 ] - [ -0.0018393800000000, 0.0018421700000000, -0.0002442800000000 ] - [ -0.0009456100000000, 0.0013307500000000, -0.0004746100000000 ] - [ -0.0011058600000000, 0.0012994700000000, -0.0003331600000000 ] - [ -0.0011572500000000, 0.0013427300000000, -0.0003394100000000 ] - [ -0.0010703100000000, 0.0012568200000000, -0.0003462000000000 ] - [ -0.0010820500000000, 0.0014394600000000, -0.0002646700000000 ] - [ -0.0000187000000000, 0.0002104700000000, 0.0001909700000000 ] - [ 0.0007375500000000, -0.0002777900000000, 0.0002465300000000 ] - [ -0.0001320700000000, 0.0002927700000000, 0.0003223500000000 ] - [ 0.0000184800000000, 0.0000821400000000, 0.0005456200000000 ] - [ -0.0001181700000000, 0.0001314300000000, 0.0004657600000000 ] - [ 0.0003707600000000, 0.0003271000000000, 0.0005842400000000 ] - [ -0.0001502300000000, -0.0002339900000000, 0.0003797400000000 ] - [ 0.0000641300000000, 0.0000144000000000, 0.0004030700000000 ] - [ -0.0000843200000000, -0.0001994800000000, 0.0004229400000000 ] - [ -0.0000245400000000, -0.0001431600000000, 0.0004728600000000 ] - [ 0.0015431700000000, 0.0007837500000000, 0.0013107700000000 ] - [ 0.0003510900000000, 0.0000833500000000, 0.0006743100000000 ]- atom: 1 displacement: [ -0.0099976998849244, 0.0000000000000000, -0.0002144691376016 ] forces: - [ 0.1050351500000000, 0.0090552000000000, 0.0070836500000000 ] - [ -0.0022266000000000, 0.0008633300000000, 0.0002402800000000 ] - [ 0.0000832300000000, 0.0004945700000000, 0.0004719600000000 ] - [ 0.0004307300000000, 0.0006119100000000, 0.0003897300000000 ] - [ 0.0000851400000000, 0.0007620700000000, 0.0004762300000000 ] - [ 0.0004354500000000, 0.0007504700000000, 0.0002972700000000 ] - [ -0.0001851000000000, -0.0009508100000000, -0.0004959500000000 ] - [ 0.0003987500000000, -0.0008945900000000, 0.0000361000000000 ] - [ 0.0003618700000000, -0.0008623100000000, 0.0002093000000000 ] - [ 0.0003902400000000, -0.0012669800000000, 0.0003097100000000 ] - [ 0.0007203900000000, -0.0006680900000000, 0.0003402200000000 ] - [ -0.0000071300000000, -0.0009413900000000, -0.0002570400000000 ] - [ 0.0128541700000000, -0.0030225200000000, -0.0099291800000000 ] - [ -0.0006333300000000, 0.0005635100000000, 0.0000140500000000 ] - [ 0.0009049900000000, 0.0005540400000000, -0.0000583500000000 ] - [ 0.0011021800000000, 0.0007039600000000, -0.0001068000000000 ] - [ 0.0038194500000000, 0.0020867000000000, 0.0006488600000000 ] - [ 0.0000884500000000, 0.0004340000000000, -0.0001743600000000 ] - [ 0.0000112000000000, -0.0008257000000000, -0.0002815300000000 ] - [ 0.0002690400000000, -0.0000895400000000, -0.0002111100000000 ] - [ 0.0009729400000000, -0.0008026900000000, -0.0001668100000000 ] - [ 0.0010536800000000, -0.0008980200000000, -0.0001058500000000 ] - [ 0.0017906100000000, -0.0002759700000000, 0.0006217500000000 ] - [ 0.0009617300000000, -0.0012024100000000, -0.0006827400000000 ] - [ 0.0031063300000000, 0.0018087700000000, -0.0012596800000000 ] - [ -0.0008453000000000, -0.0000244300000000, -0.0004210000000000 ] - [ -0.0004203600000000, 0.0003265500000000, -0.0006722400000000 ] - [ -0.0004159900000000, 0.0003373400000000, -0.0006831700000000 ] - [ -0.0004674900000000, 0.0002442400000000, -0.0006935700000000 ] - [ -0.0003676300000000, 0.0004501200000000, -0.0006094100000000 ] - [ -0.0017757600000000, 0.0010381900000000, 0.0018034900000000 ] - [ -0.0002799000000000, -0.0004672100000000, -0.0008617900000000 ] - [ -0.0003888100000000, -0.0003270500000000, -0.0006948100000000 ] - [ -0.0003840700000000, -0.0003288800000000, -0.0006910000000000 ] - [ -0.0005853100000000, -0.0004010700000000, -0.0003918100000000 ] - [ -0.0004127300000000, -0.0003407200000000, -0.0007327300000000 ] - [ 0.0001169500000000, -0.0000099400000000, -0.0001122300000000 ] - [ 0.0001029300000000, -0.0004317900000000, 0.0004293400000000 ] - [ 0.0000843300000000, 0.0000622900000000, -0.0001414700000000 ] - [ 0.0000605000000000, -0.0000080500000000, -0.0001232700000000 ] - [ 0.0002755200000000, -0.0001473700000000, 0.0000755300000000 ] - [ -0.0000630800000000, 0.0000462900000000, -0.0002000900000000 ] - [ 0.0008608300000000, 0.0003397800000000, -0.0003617500000000 ] - [ -0.0671023100000000, -0.0193862100000000, 0.0021265000000000 ] - [ 0.0000952000000000, 0.0000635300000000, -0.0001258000000000 ] - [ 0.0000017400000000, 0.0000012200000000, -0.0001435800000000 ] - [ 0.0001066600000000, 0.0000226500000000, -0.0001357400000000 ] - [ -0.0000206500000000, 0.0002949300000000, -0.0002355300000000 ] - [ 0.0006191700000000, -0.0011027200000000, -0.0001015500000000 ] - [ 0.0006102400000000, -0.0011530900000000, -0.0001199400000000 ] - [ 0.0004999200000000, -0.0009745000000000, -0.0002740400000000 ] - [ 0.0004917100000000, -0.0009164300000000, -0.0002886900000000 ] - [ 0.0002587000000000, -0.0009951200000000, -0.0002885600000000 ] - [ 0.0006315400000000, -0.0011280200000000, -0.0000728200000000 ] - [ -0.0210318700000000, 0.0085566400000000, 0.0234701400000000 ] - [ 0.0016892300000000, 0.0013735500000000, -0.0005594400000000 ] - [ 0.0006038300000000, 0.0011126500000000, -0.0002688600000000 ] - [ 0.0004700000000000, 0.0009695500000000, -0.0002968400000000 ] - [ 0.0003109200000000, 0.0005997500000000, -0.0003338300000000 ] - [ 0.0006720600000000, 0.0011621800000000, -0.0002373600000000 ] - [ -0.0012338000000000, 0.0011280300000000, 0.0011577400000000 ] - [ -0.0004207600000000, 0.0002927400000000, 0.0004072700000000 ] - [ -0.0005139200000000, 0.0003381400000000, 0.0003761600000000 ] - [ -0.0005452000000000, 0.0005004800000000, 0.0003846900000000 ] - [ -0.0005454200000000, 0.0003141700000000, 0.0003059100000000 ] - [ -0.0001454300000000, 0.0002379800000000, 0.0007011000000000 ] - [ -0.0190253100000000, 0.0111885100000000, -0.0251593300000000 ] - [ 0.0003885100000000, -0.0003767100000000, 0.0004166600000000 ] - [ -0.0005513400000000, -0.0002343800000000, 0.0001596600000000 ] - [ -0.0005738700000000, -0.0003124000000000, 0.0002008000000000 ] - [ -0.0005189800000000, -0.0004563200000000, 0.0002324500000000 ] - [ -0.0004063200000000, -0.0001987400000000, 0.0002388600000000 ] - [ 0.0000430300000000, -0.0002864200000000, 0.0004025300000000 ] - [ 0.0001524400000000, -0.0001999500000000, 0.0005778500000000 ] - [ 0.0001483500000000, -0.0001536700000000, 0.0005680500000000 ] - [ 0.0000789400000000, -0.0002160000000000, 0.0004964400000000 ] - [ 0.0000210000000000, -0.0003507500000000, 0.0003791300000000 ] - [ 0.0002468100000000, 0.0002872600000000, 0.0007671000000000 ] - [ 0.0004724900000000, 0.0007528000000000, 0.0003406900000000 ] - [ 0.0000734000000000, 0.0002998700000000, 0.0005256400000000 ] - [ 0.0000933100000000, 0.0002434600000000, 0.0004346900000000 ] - [ 0.0000471500000000, 0.0003429800000000, 0.0004034500000000 ] - [ -0.0040503500000000, -0.0049917800000000, -0.0007318100000000 ] - [ 0.0004164700000000, 0.0000799800000000, 0.0005630900000000 ] - [ -0.0005483600000000, -0.0009805200000000, -0.0003351500000000 ] - [ -0.0032932100000000, -0.0025214000000000, 0.0000488700000000 ] - [ -0.0011365600000000, -0.0013244000000000, -0.0003414700000000 ] - [ -0.0010479900000000, -0.0012808500000000, -0.0003505200000000 ] - [ -0.0008602100000000, -0.0014153200000000, -0.0001676700000000 ] - [ -0.0029173000000000, -0.0021152500000000, -0.0005415000000000 ] - [ -0.0004390000000000, 0.0008503600000000, -0.0004448900000000 ] - [ -0.0013295200000000, 0.0013577800000000, -0.0002126100000000 ] - [ -0.0011687800000000, 0.0013886800000000, -0.0003548600000000 ] - [ -0.0011188100000000, 0.0013462500000000, -0.0003482600000000 ] - [ -0.0012051100000000, 0.0014314900000000, -0.0003417700000000 ] - [ -0.0011932300000000, 0.0012501300000000, -0.0004224200000000 ] - [ -0.0000395800000000, 0.0001111000000000, 0.0007431800000000 ] - [ -0.0007926700000000, 0.0005930300000000, 0.0006880800000000 ] - [ 0.0000755600000000, 0.0000272100000000, 0.0006147300000000 ] - [ -0.0000751100000000, 0.0002370900000000, 0.0003905700000000 ] - [ 0.0000620500000000, 0.0001896300000000, 0.0004695100000000 ] - [ -0.0004241100000000, -0.0000092200000000, 0.0003562300000000 ] - [ 0.0000936400000000, -0.0000862100000000, 0.0005566100000000 ] - [ -0.0001204700000000, -0.0003355800000000, 0.0005328600000000 ] - [ 0.0000291700000000, -0.0001208400000000, 0.0005142200000000 ] - [ -0.0000322200000000, -0.0001781100000000, 0.0004626100000000 ] - [ -0.0015886800000000, -0.0010902900000000, -0.0003729200000000 ] - [ -0.0004049500000000, -0.0004004200000000, 0.0002659500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0087504800000000, -0.1183925900000000, -0.0017430400000000 ] - [ 0.0003693500000000, -0.0006576200000000, 0.0000128000000000 ] - [ 0.0004702500000000, 0.0038149100000000, 0.0003473900000000 ] - [ 0.0004769100000000, 0.0014840800000000, 0.0003650700000000 ] - [ 0.0007223000000000, 0.0038023300000000, 0.0010490300000000 ] - [ 0.0006078100000000, 0.0014851600000000, 0.0009123300000000 ] - [ 0.0002770000000000, -0.0000920800000000, 0.0004123800000000 ] - [ 0.0003372700000000, -0.0000682800000000, 0.0002444600000000 ] - [ 0.0003720900000000, -0.0007216800000000, 0.0001126200000000 ] - [ -0.0000142800000000, -0.0018795500000000, -0.0006987500000000 ] - [ 0.0005645300000000, -0.0016822000000000, 0.0002378100000000 ] - [ 0.0002915200000000, -0.0012168400000000, 0.0001921200000000 ] - [ 0.0041388000000000, 0.0066892500000000, 0.0054961800000000 ] - [ 0.0007280300000000, 0.0010711500000000, -0.0003667600000000 ] - [ 0.0013041500000000, 0.0025950800000000, -0.0000959300000000 ] - [ 0.0013186800000000, 0.0018425800000000, -0.0000477900000000 ] - [ -0.0047161500000000, 0.0060575500000000, -0.0105418500000000 ] - [ 0.0021440200000000, 0.0016034500000000, 0.0003344600000000 ] - [ 0.0015620700000000, -0.0003978300000000, -0.0008657200000000 ] - [ 0.0005548000000000, -0.0003208800000000, -0.0003442900000000 ] - [ 0.0010132900000000, 0.0000513700000000, -0.0000699200000000 ] - [ 0.0008068000000000, -0.0002039200000000, -0.0001305900000000 ] - [ 0.0003107300000000, -0.0022630300000000, 0.0010215600000000 ] - [ 0.0016918900000000, -0.0008549500000000, -0.0002978000000000 ] - [ 0.0001216800000000, 0.0009146600000000, -0.0012763000000000 ] - [ -0.0003755500000000, 0.0003498600000000, -0.0006506100000000 ] - [ -0.0003046100000000, 0.0003412400000000, -0.0006758700000000 ] - [ -0.0003579200000000, 0.0002929000000000, -0.0006890100000000 ] - [ -0.0000696200000000, 0.0010794200000000, -0.0009852000000000 ] - [ -0.0003124800000000, 0.0005574500000000, -0.0005946500000000 ] - [ -0.0002639600000000, -0.0005781000000000, -0.0013461000000000 ] - [ -0.0004331600000000, -0.0002983800000000, -0.0006462600000000 ] - [ -0.0002900400000000, -0.0005746900000000, -0.0009124000000000 ] - [ -0.0006223600000000, -0.0003533400000000, -0.0006029400000000 ] - [ 0.0001452900000000, -0.0007994100000000, 0.0001149000000000 ] - [ -0.0005174500000000, -0.0005299300000000, -0.0006925600000000 ] - [ 0.0001679800000000, -0.0002416800000000, -0.0000122100000000 ] - [ 0.0001132400000000, -0.0004466000000000, 0.0002184600000000 ] - [ 0.0002939500000000, -0.0000215200000000, 0.0001208200000000 ] - [ 0.0000633700000000, -0.0001953600000000, 0.0000441500000000 ] - [ 0.0000055700000000, 0.0000638400000000, -0.0001442700000000 ] - [ -0.0000844900000000, 0.0004489700000000, -0.0004006500000000 ] - [ 0.0001316400000000, 0.0003355700000000, -0.0000647700000000 ] - [ 0.0258611400000000, 0.0130538100000000, 0.0003272700000000 ] - [ 0.0000066900000000, -0.0002708300000000, -0.0003287700000000 ] - [ -0.0001789200000000, -0.0007241400000000, -0.0004048000000000 ] - [ -0.0000827300000000, -0.0000239900000000, -0.0001908400000000 ] - [ -0.0000605600000000, -0.0008147700000000, -0.0001091300000000 ] - [ 0.0005861200000000, -0.0011661600000000, -0.0002215100000000 ] - [ 0.0006332800000000, -0.0012417700000000, -0.0001573600000000 ] - [ 0.0006079100000000, -0.0011266300000000, -0.0001878100000000 ] - [ 0.0005644600000000, -0.0009894100000000, -0.0000658900000000 ] - [ 0.0002976900000000, -0.0007415900000000, -0.0003798100000000 ] - [ 0.0004577200000000, -0.0009146300000000, -0.0003165500000000 ] - [ -0.0109787400000000, 0.0115510000000000, 0.0178469400000000 ] - [ 0.0003598100000000, 0.0011101100000000, -0.0002094700000000 ] - [ 0.0003458400000000, 0.0001721900000000, -0.0007353900000000 ] - [ 0.0002650100000000, 0.0006392100000000, -0.0004349500000000 ] - [ 0.0005375700000000, 0.0000123800000000, -0.0004476400000000 ] - [ 0.0004142700000000, 0.0007741000000000, -0.0005644300000000 ] - [ 0.0000205300000000, -0.0002674300000000, 0.0000881200000000 ] - [ -0.0003454100000000, 0.0000212700000000, 0.0003611900000000 ] - [ -0.0003562800000000, 0.0002063200000000, 0.0004281200000000 ] - [ 0.0009642500000000, -0.0003910900000000, 0.0016382200000000 ] - [ -0.0010126000000000, 0.0009567300000000, 0.0005298000000000 ] - [ -0.0009847800000000, 0.0008359300000000, 0.0002128500000000 ] - [ -0.0110048400000000, 0.0134792500000000, -0.0198553300000000 ] - [ -0.0004844500000000, -0.0000102100000000, 0.0006727300000000 ] - [ -0.0004728300000000, -0.0009606600000000, 0.0007461000000000 ] - [ -0.0007131700000000, -0.0005696100000000, 0.0003411600000000 ] - [ -0.0008527700000000, -0.0010927700000000, -0.0004129400000000 ] - [ -0.0004627700000000, -0.0002657200000000, -0.0000113300000000 ] - [ 0.0000931500000000, 0.0002813400000000, 0.0005704600000000 ] - [ 0.0001141200000000, 0.0000457600000000, 0.0005506500000000 ] - [ 0.0000425800000000, -0.0007533700000000, 0.0003259700000000 ] - [ -0.0000009500000000, -0.0008549100000000, 0.0002507000000000 ] - [ 0.0000777900000000, -0.0002476500000000, 0.0005054100000000 ] - [ 0.0003631100000000, 0.0006241200000000, 0.0010368000000000 ] - [ -0.0001117700000000, -0.0007588600000000, 0.0002862000000000 ] - [ 0.0000334600000000, -0.0000536300000000, 0.0005046300000000 ] - [ 0.0001205900000000, -0.0009179800000000, 0.0006343800000000 ] - [ 0.0000980400000000, -0.0002116000000000, 0.0005197200000000 ] - [ 0.0067066100000000, 0.0748599900000000, 0.0076396700000000 ] - [ 0.0000618500000000, 0.0011299000000000, 0.0002875200000000 ] - [ -0.0011452000000000, -0.0011333600000000, -0.0003465700000000 ] - [ -0.0025024400000000, -0.0023065200000000, -0.0004089300000000 ] - [ -0.0013639900000000, -0.0015103500000000, -0.0003588300000000 ] - [ -0.0017015000000000, -0.0017668300000000, -0.0003317300000000 ] - [ -0.0010320600000000, -0.0028711400000000, -0.0012102200000000 ] - [ 0.0000606500000000, -0.0014363600000000, 0.0004546600000000 ] - [ -0.0008149000000000, 0.0009996300000000, -0.0005054700000000 ] - [ -0.0013336200000000, 0.0014300300000000, -0.0003182800000000 ] - [ -0.0009432700000000, 0.0012070700000000, -0.0003287200000000 ] - [ -0.0009470800000000, 0.0012124200000000, -0.0003595000000000 ] - [ -0.0014487500000000, 0.0017040900000000, -0.0003082800000000 ] - [ -0.0011185500000000, 0.0014719800000000, -0.0004454900000000 ] - [ 0.0002871500000000, -0.0002470300000000, 0.0008068700000000 ] - [ 0.0000413100000000, -0.0002587800000000, 0.0001632200000000 ] - [ -0.0001364900000000, 0.0002331800000000, 0.0004252300000000 ] - [ -0.0000031500000000, 0.0000276500000000, 0.0006563400000000 ] - [ -0.0001804300000000, 0.0002968800000000, 0.0003114700000000 ] - [ 0.0004295000000000, -0.0000254100000000, 0.0023404900000000 ] - [ 0.0000100700000000, -0.0000946400000000, 0.0005313900000000 ] - [ 0.0000384000000000, -0.0000769100000000, 0.0006043500000000 ] - [ 0.0005667000000000, 0.0002722600000000, 0.0008064400000000 ] - [ -0.0000867100000000, -0.0002584100000000, 0.0003628600000000 ] - [ -0.0021053900000000, -0.0029476100000000, -0.0003759300000000 ] - [ -0.0000927300000000, -0.0003961900000000, 0.0002236300000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0097202900000000, 0.1242309000000000, 0.0023492700000000 ] - [ 0.0003572600000000, 0.0024035700000000, 0.0005316600000000 ] - [ 0.0002574300000000, -0.0020449500000000, 0.0001998000000000 ] - [ 0.0002488100000000, 0.0002563300000000, 0.0001816400000000 ] - [ 0.0000060000000000, -0.0020584400000000, -0.0004989300000000 ] - [ 0.0001194600000000, 0.0002566300000000, -0.0003643400000000 ] - [ 0.0004490900000000, -0.0016453700000000, 0.0001318600000000 ] - [ 0.0003884000000000, -0.0016732500000000, 0.0002975800000000 ] - [ 0.0003536900000000, -0.0010202700000000, 0.0004335300000000 ] - [ 0.0007418000000000, 0.0001434100000000, 0.0012455800000000 ] - [ 0.0001632800000000, -0.0000508100000000, 0.0003081800000000 ] - [ 0.0004336300000000, -0.0005211200000000, 0.0003547500000000 ] - [ -0.0020559600000000, -0.0051508100000000, -0.0057100900000000 ] - [ 0.0013405700000000, 0.0004727200000000, 0.0001191300000000 ] - [ 0.0007673900000000, -0.0010428900000000, -0.0001506700000000 ] - [ 0.0007501200000000, -0.0002947000000000, -0.0002016800000000 ] - [ 0.0067631100000000, -0.0045088700000000, 0.0102621200000000 ] - [ -0.0000825700000000, -0.0000636600000000, -0.0005820600000000 ] - [ 0.0005112800000000, -0.0011427500000000, 0.0006164100000000 ] - [ 0.0015177900000000, -0.0012250100000000, 0.0000939700000000 ] - [ 0.0010575900000000, -0.0015955800000000, -0.0001797300000000 ] - [ 0.0012617800000000, -0.0013416600000000, -0.0001193600000000 ] - [ 0.0017624700000000, 0.0007238500000000, -0.0012765000000000 ] - [ 0.0003726500000000, -0.0006986000000000, 0.0000376500000000 ] - [ -0.0009490400000000, -0.0002543100000000, -0.0000815800000000 ] - [ -0.0004430700000000, 0.0003191200000000, -0.0007073300000000 ] - [ -0.0005132700000000, 0.0003272800000000, -0.0006830400000000 ] - [ -0.0004600100000000, 0.0003750300000000, -0.0006696800000000 ] - [ -0.0007535400000000, -0.0004125700000000, -0.0003654700000000 ] - [ -0.0005061600000000, 0.0001105300000000, -0.0007637500000000 ] - [ -0.0005573900000000, -0.0000789700000000, -0.0000088300000000 ] - [ -0.0003847100000000, -0.0003640700000000, -0.0007118800000000 ] - [ -0.0005277200000000, -0.0000888600000000, -0.0004471900000000 ] - [ -0.0001967000000000, -0.0003102200000000, -0.0007547600000000 ] - [ -0.0009693800000000, 0.0001450500000000, -0.0014746900000000 ] - [ -0.0003020400000000, -0.0001330300000000, -0.0006654500000000 ] - [ -0.0000158400000000, 0.0002074800000000, -0.0002301900000000 ] - [ 0.0000325800000000, 0.0004162600000000, -0.0004616800000000 ] - [ -0.0001316100000000, -0.0000178600000000, -0.0003611800000000 ] - [ 0.0000910200000000, 0.0001610700000000, -0.0002862800000000 ] - [ 0.0001474000000000, -0.0000997700000000, -0.0000963700000000 ] - [ 0.0002432500000000, -0.0004882800000000, 0.0001608400000000 ] - [ 0.0000301400000000, -0.0002922100000000, -0.0001761600000000 ] - [ -0.0254833200000000, -0.0131407300000000, -0.0005538100000000 ] - [ 0.0001500000000000, 0.0003129600000000, 0.0000869900000000 ] - [ 0.0003280400000000, 0.0007602200000000, 0.0001625800000000 ] - [ 0.0002430400000000, 0.0000676600000000, -0.0000505300000000 ] - [ 0.0002241100000000, 0.0008596700000000, -0.0001318200000000 ] - [ 0.0004510700000000, -0.0008132300000000, -0.0003492100000000 ] - [ 0.0004019100000000, -0.0007397400000000, -0.0004077900000000 ] - [ 0.0004251700000000, -0.0008545400000000, -0.0003767700000000 ] - [ 0.0004658400000000, -0.0009962800000000, -0.0004905700000000 ] - [ 0.0007344400000000, -0.0012435900000000, -0.0001780900000000 ] - [ 0.0005776500000000, -0.0010689200000000, -0.0002485000000000 ] - [ 0.0119374100000000, -0.0096838400000000, -0.0182711400000000 ] - [ 0.0006705400000000, 0.0008805100000000, -0.0003486200000000 ] - [ 0.0006890900000000, 0.0018103700000000, 0.0001666500000000 ] - [ 0.0007692400000000, 0.0013493400000000, -0.0001267400000000 ] - [ 0.0004930000000000, 0.0019765800000000, -0.0001074800000000 ] - [ 0.0006162400000000, 0.0012157300000000, 0.0000043700000000 ] - [ -0.0010037800000000, 0.0009071400000000, 0.0006240000000000 ] - [ -0.0006392300000000, 0.0006156800000000, 0.0003455900000000 ] - [ -0.0006291500000000, 0.0004305100000000, 0.0002786600000000 ] - [ -0.0019538300000000, 0.0010233900000000, -0.0009411900000000 ] - [ 0.0000242600000000, -0.0003231800000000, 0.0001699500000000 ] - [ -0.0000024600000000, -0.0001997600000000, 0.0004928900000000 ] - [ 0.0099263900000000, -0.0142464100000000, 0.0203766200000000 ] - [ -0.0005058600000000, -0.0006179300000000, 0.0000258400000000 ] - [ -0.0005103700000000, 0.0003255200000000, -0.0000350000000000 ] - [ -0.0002718500000000, -0.0000601300000000, 0.0003631800000000 ] - [ -0.0001402800000000, 0.0004641000000000, 0.0011079800000000 ] - [ -0.0005254000000000, -0.0003626200000000, 0.0007137600000000 ] - [ 0.0000650600000000, -0.0007514100000000, 0.0003531900000000 ] - [ 0.0000452200000000, -0.0005209000000000, 0.0003734400000000 ] - [ 0.0001165200000000, 0.0002693700000000, 0.0005974900000000 ] - [ 0.0001595700000000, 0.0003771600000000, 0.0006721600000000 ] - [ 0.0000813500000000, -0.0002281500000000, 0.0004177600000000 ] - [ -0.0002053500000000, -0.0010887400000000, -0.0001131600000000 ] - [ 0.0002642200000000, 0.0012281500000000, 0.0006328800000000 ] - [ 0.0001240800000000, 0.0005310700000000, 0.0004187300000000 ] - [ 0.0000357200000000, 0.0013892900000000, 0.0002898600000000 ] - [ 0.0000595400000000, 0.0006858400000000, 0.0004048200000000 ] - [ -0.0068290900000000, -0.0783788300000000, -0.0068018100000000 ] - [ 0.0000944700000000, -0.0006580200000000, 0.0006369000000000 ] - [ -0.0011382800000000, -0.0015647000000000, -0.0003529500000000 ] - [ 0.0002243200000000, -0.0003867800000000, -0.0002923300000000 ] - [ -0.0009189200000000, -0.0011887800000000, -0.0003414200000000 ] - [ -0.0005838300000000, -0.0009334100000000, -0.0003671700000000 ] - [ -0.0012364900000000, 0.0001803400000000, 0.0005052300000000 ] - [ -0.0023427400000000, -0.0012526900000000, -0.0011620000000000 ] - [ -0.0014723900000000, 0.0017084800000000, -0.0001943900000000 ] - [ -0.0009500300000000, 0.0012750100000000, -0.0003811300000000 ] - [ -0.0013414700000000, 0.0014974200000000, -0.0003713400000000 ] - [ -0.0013375200000000, 0.0014929200000000, -0.0003404700000000 ] - [ -0.0008356400000000, 0.0010009600000000, -0.0003907300000000 ] - [ -0.0011656100000000, 0.0012329600000000, -0.0002541900000000 ] - [ -0.0003443300000000, 0.0005861100000000, 0.0001321800000000 ] - [ -0.0000969000000000, 0.0005956400000000, 0.0007758300000000 ] - [ 0.0000798900000000, 0.0001033200000000, 0.0005156700000000 ] - [ -0.0000530100000000, 0.0003090800000000, 0.0002837200000000 ] - [ 0.0001248200000000, 0.0000406300000000, 0.0006273600000000 ] - [ -0.0004680900000000, 0.0003336900000000, -0.0013734900000000 ] - [ -0.0000683400000000, -0.0002373400000000, 0.0004077700000000 ] - [ -0.0000943900000000, -0.0002544400000000, 0.0003349500000000 ] - [ -0.0006196800000000, -0.0006015300000000, 0.0001357700000000 ] - [ 0.0000309100000000, -0.0000725500000000, 0.0005763800000000 ] - [ 0.0020584000000000, 0.0026358100000000, 0.0013294100000000 ] - [ 0.0000368200000000, 0.0000661900000000, 0.0007182000000000 ]- atom: 1 displacement: [ -0.0021219046125690, 0.0000000000000000, 0.0097722832958914 ] forces: - [ 0.0196987800000000, -0.0002700300000000, -0.1050352900000000 ] - [ -0.0001407900000000, 0.0006077800000000, -0.0002126700000000 ] - [ 0.0001108200000000, 0.0015521200000000, 0.0001161900000000 ] - [ 0.0003724700000000, 0.0014356000000000, -0.0003201000000000 ] - [ 0.0001131600000000, 0.0009195100000000, 0.0001147900000000 ] - [ 0.0002815200000000, 0.0009287300000000, -0.0003384200000000 ] - [ 0.0009819000000000, -0.0010187100000000, 0.0012478600000000 ] - [ 0.0005891400000000, -0.0008456200000000, 0.0010754600000000 ] - [ 0.0004239600000000, -0.0007101300000000, 0.0005371200000000 ] - [ 0.0003347800000000, 0.0000054700000000, 0.0003625800000000 ] - [ 0.0003394600000000, -0.0007866000000000, 0.0021336500000000 ] - [ 0.0007814200000000, -0.0008016500000000, 0.0015411200000000 ] - [ 0.0139263100000000, 0.0096132700000000, -0.0008774900000000 ] - [ -0.0008403300000000, 0.0005162400000000, -0.0014570800000000 ] - [ 0.0009536400000000, 0.0011388100000000, -0.0001680400000000 ] - [ 0.0011975000000000, 0.0011024600000000, -0.0001090800000000 ] - [ 0.0008911300000000, -0.0009982900000000, -0.0025075200000000 ] - [ -0.0000062200000000, 0.0000729400000000, -0.0001096400000000 ] - [ 0.0006701000000000, -0.0015976400000000, 0.0013652700000000 ] - [ 0.0022486100000000, -0.0019274200000000, 0.0005353100000000 ] - [ 0.0011056100000000, -0.0007899500000000, -0.0001181800000000 ] - [ 0.0010522300000000, -0.0005801100000000, -0.0001248400000000 ] - [ 0.0009308900000000, -0.0002146900000000, 0.0006891800000000 ] - [ 0.0010555800000000, -0.0005155500000000, 0.0009192800000000 ] - [ -0.0026905800000000, -0.0012730100000000, 0.0006632600000000 ] - [ -0.0002216700000000, 0.0005917100000000, -0.0009787000000000 ] - [ -0.0003835600000000, 0.0003496100000000, -0.0007112800000000 ] - [ -0.0004040000000000, 0.0003243600000000, -0.0006767200000000 ] - [ -0.0002689900000000, 0.0003832900000000, -0.0009047100000000 ] - [ -0.0004367200000000, 0.0002075900000000, -0.0008842600000000 ] - [ -0.0013285100000000, -0.0002453000000000, -0.0000692500000000 ] - [ -0.0004664200000000, -0.0002348900000000, -0.0004749900000000 ] - [ -0.0003925600000000, -0.0003760300000000, -0.0006966500000000 ] - [ -0.0004815100000000, -0.0003213600000000, -0.0006420500000000 ] - [ -0.0010466600000000, 0.0003164300000000, 0.0003241800000000 ] - [ -0.0003501500000000, -0.0003509500000000, -0.0006891600000000 ] - [ -0.0000204500000000, 0.0001476700000000, -0.0003637900000000 ] - [ 0.0001026200000000, 0.0008006400000000, -0.0011029900000000 ] - [ 0.0001002100000000, -0.0001842500000000, -0.0001179600000000 ] - [ 0.0000456800000000, -0.0000328000000000, -0.0001602800000000 ] - [ -0.0001196100000000, 0.0002418800000000, -0.0005259200000000 ] - [ 0.0001125600000000, 0.0000681700000000, -0.0004580800000000 ] - [ 0.0003006800000000, 0.0004530800000000, -0.0004891900000000 ] - [ -0.0122607100000000, -0.0025944200000000, 0.0046804900000000 ] - [ 0.0000953500000000, -0.0000934500000000, -0.0000628200000000 ] - [ 0.0001700000000000, -0.0001350400000000, -0.0001100500000000 ] - [ 0.0000982400000000, 0.0001003300000000, 0.0000519100000000 ] - [ 0.0000720400000000, 0.0003139600000000, 0.0001005200000000 ] - [ 0.0003803400000000, -0.0007227500000000, -0.0006724800000000 ] - [ 0.0003385400000000, -0.0006914800000000, -0.0006531300000000 ] - [ 0.0005578600000000, -0.0010072600000000, -0.0003600100000000 ] - [ 0.0005561600000000, -0.0011482600000000, -0.0002793200000000 ] - [ 0.0009120300000000, -0.0007526300000000, -0.0008666800000000 ] - [ 0.0003740600000000, -0.0006867500000000, -0.0007668400000000 ] - [ -0.0335981700000000, 0.0175227100000000, 0.0507696100000000 ] - [ 0.0009834200000000, 0.0014263500000000, 0.0002112600000000 ] - [ 0.0004359000000000, 0.0009580600000000, -0.0001303500000000 ] - [ 0.0002455700000000, 0.0007586900000000, -0.0001672300000000 ] - [ 0.0006496200000000, 0.0008966400000000, 0.0000112500000000 ] - [ 0.0007732000000000, 0.0013376200000000, 0.0000231000000000 ] - [ -0.0005684200000000, 0.0000509800000000, -0.0001954700000000 ] - [ -0.0005390900000000, 0.0001543800000000, -0.0000229800000000 ] - [ -0.0005750600000000, 0.0002763800000000, 0.0001232200000000 ] - [ -0.0005055600000000, 0.0000055500000000, 0.0000814300000000 ] - [ -0.0007960600000000, 0.0001647200000000, -0.0005326000000000 ] - [ -0.0010400800000000, 0.0004188800000000, -0.0004689300000000 ] - [ 0.0200339200000000, -0.0189079300000000, 0.0428311400000000 ] - [ -0.0004371800000000, -0.0004027800000000, 0.0009474600000000 ] - [ -0.0002508500000000, -0.0005056400000000, 0.0007801600000000 ] - [ -0.0002380900000000, -0.0003617900000000, 0.0008116700000000 ] - [ -0.0003395200000000, -0.0001400500000000, 0.0006577700000000 ] - [ -0.0005841000000000, -0.0005483500000000, 0.0007346400000000 ] - [ 0.0000223600000000, -0.0004573100000000, 0.0000038800000000 ] - [ -0.0000186500000000, -0.0003051300000000, 0.0001745100000000 ] - [ 0.0000109800000000, -0.0001829000000000, 0.0003337400000000 ] - [ 0.0000523300000000, -0.0002558400000000, 0.0003567600000000 ] - [ 0.0000631300000000, -0.0003733500000000, 0.0003544700000000 ] - [ -0.0002507800000000, -0.0012787300000000, -0.0001925500000000 ] - [ 0.0003176600000000, -0.0005211800000000, 0.0002245700000000 ] - [ 0.0000618000000000, -0.0001168900000000, 0.0007730900000000 ] - [ 0.0001081900000000, 0.0001805900000000, 0.0005154500000000 ] - [ 0.0000998100000000, 0.0001704900000000, 0.0005547600000000 ] - [ 0.0001502400000000, 0.0014937900000000, 0.0047668700000000 ] - [ 0.0001545300000000, 0.0002907200000000, 0.0006077700000000 ] - [ -0.0004127200000000, -0.0009204100000000, -0.0004334300000000 ] - [ -0.0051989800000000, -0.0044753400000000, -0.0002896900000000 ] - [ -0.0012498700000000, -0.0014564700000000, -0.0003554000000000 ] - [ -0.0011999800000000, -0.0014472700000000, -0.0003486300000000 ] - [ -0.0010151600000000, -0.0017649900000000, -0.0004989600000000 ] - [ -0.0010501200000000, -0.0009764700000000, -0.0004149900000000 ] - [ -0.0019396000000000, 0.0019881900000000, -0.0002179500000000 ] - [ -0.0008572700000000, 0.0012357200000000, -0.0004554500000000 ] - [ -0.0011088100000000, 0.0012828000000000, -0.0003340200000000 ] - [ -0.0011893700000000, 0.0013506500000000, -0.0003332800000000 ] - [ -0.0009634600000000, 0.0011172800000000, -0.0004100700000000 ] - [ -0.0009854800000000, 0.0012361800000000, -0.0003794100000000 ] - [ 0.0005914500000000, -0.0003820200000000, 0.0011659000000000 ] - [ -0.0000881600000000, -0.0006022700000000, 0.0009772200000000 ] - [ -0.0000233900000000, 0.0001414900000000, 0.0004886100000000 ] - [ 0.0000272500000000, 0.0000993300000000, 0.0006023600000000 ] - [ 0.0000520000000000, 0.0002008100000000, 0.0004617800000000 ] - [ 0.0000209300000000, 0.0001585900000000, 0.0009428500000000 ] - [ -0.0002597700000000, -0.0003160000000000, 0.0002308500000000 ] - [ -0.0000708500000000, -0.0001369100000000, 0.0002585100000000 ] - [ -0.0001506000000000, -0.0002668800000000, 0.0003557800000000 ] - [ -0.0000254500000000, -0.0001417400000000, 0.0004796200000000 ] - [ 0.0025715600000000, 0.0026074900000000, 0.0021911200000000 ] - [ -0.0003111500000000, -0.0005650400000000, 0.0000156800000000 ]- atom: 1 displacement: [ 0.0021219046125690, 0.0000000000000000, -0.0097722832958914 ] forces: - [ -0.0163478500000000, -0.0001376500000000, 0.1046628200000000 ] - [ 0.0008639200000000, 0.0011237600000000, 0.0007542000000000 ] - [ 0.0006163600000000, 0.0001879000000000, 0.0004329800000000 ] - [ 0.0003598400000000, 0.0003022200000000, 0.0008642600000000 ] - [ 0.0006179600000000, 0.0008198900000000, 0.0004330600000000 ] - [ 0.0004479200000000, 0.0008092300000000, 0.0008851800000000 ] - [ -0.0002509900000000, -0.0007167800000000, -0.0007060000000000 ] - [ 0.0001411800000000, -0.0008928100000000, -0.0005348400000000 ] - [ 0.0003117300000000, -0.0010343900000000, 0.0000065300000000 ] - [ 0.0003987300000000, -0.0017381100000000, 0.0001823600000000 ] - [ 0.0003966200000000, -0.0009458700000000, -0.0015922700000000 ] - [ -0.0000502900000000, -0.0009362900000000, -0.0009946300000000 ] - [ -0.0118601200000000, -0.0080573400000000, 0.0006320800000000 ] - [ 0.0028985200000000, 0.0010229600000000, 0.0012153700000000 ] - [ 0.0011100300000000, 0.0004046100000000, -0.0000797100000000 ] - [ 0.0008647900000000, 0.0004407700000000, -0.0001396500000000 ] - [ 0.0011757100000000, 0.0025368500000000, 0.0022332800000000 ] - [ 0.0020636000000000, 0.0014661300000000, -0.0001353800000000 ] - [ 0.0014076800000000, 0.0000629100000000, -0.0016211700000000 ] - [ -0.0001779000000000, 0.0003789900000000, -0.0007848400000000 ] - [ 0.0009582000000000, -0.0007553000000000, -0.0001286700000000 ] - [ 0.0010117400000000, -0.0009649000000000, -0.0001216700000000 ] - [ 0.0011343800000000, -0.0013349100000000, -0.0009403800000000 ] - [ 0.0010022500000000, -0.0010424200000000, -0.0011733900000000 ] - [ 0.0018523400000000, 0.0019295100000000, -0.0020186000000000 ] - [ -0.0006012600000000, 0.0000693100000000, -0.0003818500000000 ] - [ -0.0004385300000000, 0.0003124900000000, -0.0006506600000000 ] - [ -0.0004178800000000, 0.0003374300000000, -0.0006850900000000 ] - [ -0.0005548400000000, 0.0002784800000000, -0.0004552000000000 ] - [ -0.0003861900000000, 0.0004533700000000, -0.0004786400000000 ] - [ 0.0005039000000000, -0.0004111800000000, -0.0012876800000000 ] - [ -0.0003555900000000, -0.0004263300000000, -0.0008871700000000 ] - [ -0.0004298600000000, -0.0002859000000000, -0.0006645000000000 ] - [ -0.0003413000000000, -0.0003404800000000, -0.0007187300000000 ] - [ 0.0002188800000000, -0.0009687000000000, -0.0016830500000000 ] - [ -0.0004717100000000, -0.0003118300000000, -0.0006727100000000 ] - [ 0.0001685800000000, -0.0001760400000000, 0.0001213000000000 ] - [ 0.0000689900000000, -0.0008404700000000, 0.0008627400000000 ] - [ 0.0000586200000000, 0.0001517300000000, -0.0001235300000000 ] - [ 0.0001011900000000, 0.0000048500000000, -0.0000820900000000 ] - [ 0.0002690200000000, -0.0002698500000000, 0.0002833200000000 ] - [ 0.0000379200000000, -0.0000968300000000, 0.0002168200000000 ] - [ -0.0001340300000000, -0.0004198400000000, 0.0002462700000000 ] - [ 0.0121312500000000, 0.0025176500000000, -0.0048463600000000 ] - [ 0.0000705700000000, 0.0001294300000000, -0.0001788000000000 ] - [ -0.0000134600000000, 0.0001665300000000, -0.0001322100000000 ] - [ 0.0000750800000000, -0.0000607800000000, -0.0002922400000000 ] - [ 0.0000919400000000, -0.0002779400000000, -0.0003396900000000 ] - [ 0.0006453900000000, -0.0012645700000000, 0.0001239300000000 ] - [ 0.0006972600000000, -0.0012856400000000, 0.0000843800000000 ] - [ 0.0004782000000000, -0.0009702400000000, -0.0002082700000000 ] - [ 0.0004749400000000, -0.0008332500000000, -0.0002785100000000 ] - [ 0.0001208400000000, -0.0012266300000000, 0.0003043300000000 ] - [ 0.0006618500000000, -0.0012910000000000, 0.0002002300000000 ] - [ 0.0332317800000000, -0.0144396100000000, -0.0491801700000000 ] - [ 0.0000515600000000, 0.0005547800000000, -0.0007723400000000 ] - [ 0.0005955100000000, 0.0010216400000000, -0.0004299400000000 ] - [ 0.0007832200000000, 0.0012238300000000, -0.0003863500000000 ] - [ 0.0003790900000000, 0.0010863100000000, -0.0005641200000000 ] - [ 0.0002520700000000, 0.0006497600000000, -0.0005684200000000 ] - [ -0.0004223500000000, 0.0005808500000000, 0.0008817700000000 ] - [ -0.0004402500000000, 0.0004867200000000, 0.0007300300000000 ] - [ -0.0004033500000000, 0.0003655400000000, 0.0005849900000000 ] - [ -0.0004767100000000, 0.0006311800000000, 0.0006164900000000 ] - [ -0.0001837500000000, 0.0004771800000000, 0.0012388000000000 ] - [ 0.0000607500000000, 0.0002220400000000, 0.0011744400000000 ] - [ -0.0219864800000000, 0.0189924300000000, -0.0434306500000000 ] - [ -0.0005435000000000, -0.0002365100000000, -0.0002472200000000 ] - [ -0.0007305300000000, -0.0001328700000000, -0.0000802600000000 ] - [ -0.0007470200000000, -0.0002734300000000, -0.0001191200000000 ] - [ -0.0006465400000000, -0.0004956800000000, 0.0000334300000000 ] - [ -0.0004059500000000, -0.0000838000000000, -0.0000505100000000 ] - [ 0.0001360800000000, -0.0000303000000000, 0.0009188900000000 ] - [ 0.0001772000000000, -0.0001833600000000, 0.0007479800000000 ] - [ 0.0001458800000000, -0.0002785100000000, 0.0005874600000000 ] - [ 0.0001062200000000, -0.0002329800000000, 0.0005654500000000 ] - [ 0.0000961900000000, -0.0001147700000000, 0.0005687300000000 ] - [ 0.0004086600000000, 0.0008016900000000, 0.0011147600000000 ] - [ -0.0001616500000000, 0.0009920000000000, 0.0006982000000000 ] - [ 0.0000941200000000, 0.0005850200000000, 0.0001497800000000 ] - [ 0.0000475900000000, 0.0002890500000000, 0.0004078400000000 ] - [ 0.0000559700000000, 0.0002887200000000, 0.0003684900000000 ] - [ 0.0000364700000000, -0.0005982400000000, -0.0038198900000000 ] - [ 0.0000030700000000, 0.0001904300000000, 0.0003160800000000 ] - [ -0.0018628700000000, -0.0017755200000000, -0.0002581000000000 ] - [ 0.0029317800000000, 0.0017883100000000, -0.0004089000000000 ] - [ -0.0010299600000000, -0.0012398800000000, -0.0003362100000000 ] - [ -0.0010803400000000, -0.0012494100000000, -0.0003422700000000 ] - [ -0.0012594400000000, -0.0009286300000000, -0.0001946400000000 ] - [ -0.0012313700000000, -0.0017199300000000, -0.0002747800000000 ] - [ -0.0003472400000000, 0.0007142300000000, -0.0004765200000000 ] - [ -0.0014233600000000, 0.0014615500000000, -0.0002369100000000 ] - [ -0.0011723200000000, 0.0014140300000000, -0.0003579800000000 ] - [ -0.0010912400000000, 0.0013463700000000, -0.0003588300000000 ] - [ -0.0013179200000000, 0.0015788000000000, -0.0002816000000000 ] - [ -0.0012969700000000, 0.0014617600000000, -0.0003111600000000 ] - [ -0.0006512600000000, 0.0007108200000000, -0.0002340600000000 ] - [ 0.0000310400000000, 0.0009221300000000, -0.0000401200000000 ] - [ -0.0000333600000000, 0.0001834400000000, 0.0004463900000000 ] - [ -0.0000844700000000, 0.0002265400000000, 0.0003320900000000 ] - [ -0.0001092500000000, 0.0001262800000000, 0.0004718000000000 ] - [ -0.0000763100000000, 0.0001650200000000, -0.0000034900000000 ] - [ 0.0002032500000000, -0.0000113500000000, 0.0007034300000000 ] - [ 0.0000137300000000, -0.0001911600000000, 0.0006744400000000 ] - [ 0.0000946000000000, -0.0000590800000000, 0.0005784100000000 ] - [ -0.0000312400000000, -0.0001847100000000, 0.0004536600000000 ] - [ -0.0026193800000000, -0.0029127600000000, -0.0012478800000000 ] - [ 0.0002544500000000, 0.0002412700000000, 0.0009214100000000 ]- atom: 13 displacement: [ 0.0099976998849244, 0.0000000000000000, 0.0002144691376016 ] forces: - [ -0.0114236000000000, 0.0040808800000000, 0.0108431100000000 ] - [ 0.0020739200000000, 0.0005527900000000, -0.0013077000000000 ] - [ -0.0024351900000000, -0.0050936400000000, -0.0005326900000000 ] - [ 0.0013294000000000, 0.0019910300000000, -0.0005735900000000 ] - [ 0.0005014500000000, 0.0011323400000000, 0.0002216400000000 ] - [ 0.0002960000000000, 0.0011527400000000, 0.0004276000000000 ] - [ 0.0014035500000000, -0.0013743300000000, 0.0001507800000000 ] - [ 0.0011058700000000, -0.0003834400000000, 0.0016891900000000 ] - [ 0.0004340200000000, -0.0008460000000000, 0.0003581800000000 ] - [ 0.0003521200000000, -0.0006377300000000, 0.0002895900000000 ] - [ -0.0003992800000000, -0.0001651600000000, 0.0000215900000000 ] - [ 0.0004475700000000, -0.0015283500000000, 0.0003371300000000 ] - [ -0.1159592600000000, -0.0004474900000000, 0.0052897700000000 ] - [ 0.0061147800000000, 0.0007962200000000, -0.0004777000000000 ] - [ -0.0004851500000000, 0.0010503000000000, -0.0005939900000000 ] - [ 0.0021961100000000, 0.0017803900000000, 0.0001931500000000 ] - [ -0.0004832000000000, 0.0006732500000000, -0.0003647400000000 ] - [ 0.0022056800000000, 0.0013170600000000, -0.0002013900000000 ] - [ 0.0006810300000000, -0.0007300100000000, -0.0009684300000000 ] - [ 0.0016090500000000, -0.0008309900000000, 0.0004699700000000 ] - [ 0.0010674000000000, -0.0008402400000000, -0.0001455600000000 ] - [ 0.0012846600000000, -0.0006676500000000, 0.0000835600000000 ] - [ 0.0006184200000000, -0.0010881600000000, 0.0000512500000000 ] - [ 0.0011122200000000, -0.0007346700000000, 0.0000136200000000 ] - [ -0.0008130600000000, 0.0001989400000000, -0.0005234500000000 ] - [ -0.0003579700000000, 0.0003802600000000, -0.0007606200000000 ] - [ -0.0006824700000000, 0.0002148000000000, -0.0006206500000000 ] - [ -0.0003427200000000, 0.0003745400000000, -0.0007174800000000 ] - [ -0.0003243200000000, 0.0004646300000000, -0.0007850600000000 ] - [ -0.0004352000000000, 0.0003009800000000, -0.0006909900000000 ] - [ 0.0257997800000000, -0.0167812700000000, -0.0216823600000000 ] - [ -0.0009508900000000, 0.0003560200000000, 0.0004631100000000 ] - [ -0.0001739300000000, -0.0005148100000000, -0.0007206900000000 ] - [ -0.0004913000000000, -0.0003485800000000, -0.0007115200000000 ] - [ -0.0003097300000000, -0.0003330000000000, -0.0008847600000000 ] - [ -0.0003676800000000, -0.0004258600000000, -0.0006665900000000 ] - [ -0.0001720100000000, 0.0001077200000000, -0.0004300000000000 ] - [ -0.0003659600000000, 0.0001476000000000, 0.0005836200000000 ] - [ 0.0001133000000000, -0.0001022000000000, -0.0000956400000000 ] - [ 0.0000952300000000, 0.0000216900000000, -0.0001715100000000 ] - [ -0.0000691400000000, 0.0001214100000000, -0.0002118700000000 ] - [ 0.0005066100000000, -0.0000083900000000, -0.0002886900000000 ] - [ -0.0011625100000000, -0.0001443200000000, 0.0004504400000000 ] - [ 0.0095601700000000, -0.0015257600000000, -0.0042383300000000 ] - [ -0.0002957000000000, -0.0002424200000000, -0.0001043200000000 ] - [ 0.0020891800000000, -0.0000094900000000, 0.0003066200000000 ] - [ 0.0000635600000000, -0.0000196600000000, -0.0001481100000000 ] - [ 0.0001375700000000, -0.0000803100000000, -0.0001142500000000 ] - [ 0.0004342600000000, -0.0010050600000000, -0.0002096700000000 ] - [ 0.0004330800000000, -0.0008400800000000, -0.0008087500000000 ] - [ 0.0005098800000000, -0.0009788600000000, -0.0002987000000000 ] - [ 0.0004972300000000, -0.0010443200000000, -0.0002635100000000 ] - [ 0.0006435100000000, -0.0011782800000000, -0.0001194300000000 ] - [ 0.0004587000000000, -0.0008627600000000, -0.0003339000000000 ] - [ 0.0104512000000000, 0.0010038300000000, -0.0074563500000000 ] - [ -0.0006551000000000, 0.0005778200000000, 0.0007008700000000 ] - [ 0.0011092900000000, 0.0022403000000000, -0.0002189000000000 ] - [ -0.0003324000000000, 0.0005199900000000, -0.0001900200000000 ] - [ 0.0005826100000000, 0.0010545400000000, -0.0002224300000000 ] - [ 0.0002477500000000, 0.0006727700000000, -0.0004231000000000 ] - [ 0.0003814900000000, -0.0009643700000000, -0.0011519500000000 ] - [ -0.0009978900000000, 0.0002720200000000, 0.0003220700000000 ] - [ -0.0003997200000000, 0.0002234800000000, 0.0002742600000000 ] - [ -0.0004001600000000, 0.0001750400000000, 0.0003461600000000 ] - [ -0.0004420400000000, 0.0003608400000000, 0.0003867600000000 ] - [ 0.0003847900000000, -0.0017475000000000, 0.0019286400000000 ] - [ 0.0004129500000000, -0.0003763500000000, -0.0012477100000000 ] - [ -0.0007878700000000, -0.0002309900000000, 0.0004066600000000 ] - [ -0.0006465100000000, 0.0008948000000000, -0.0003832000000000 ] - [ -0.0004202100000000, -0.0004298900000000, 0.0007509200000000 ] - [ -0.0005248400000000, -0.0004218600000000, 0.0002813100000000 ] - [ -0.0004859700000000, -0.0003466200000000, 0.0003771200000000 ] - [ 0.0002604600000000, -0.0005054700000000, 0.0007724200000000 ] - [ -0.0000485300000000, -0.0001348300000000, 0.0002547800000000 ] - [ 0.0000012100000000, -0.0000559900000000, 0.0004883200000000 ] - [ -0.0000778400000000, -0.0007397300000000, 0.0001041900000000 ] - [ 0.0000782800000000, -0.0002189100000000, 0.0004710600000000 ] - [ 0.0000471200000000, -0.0004335600000000, 0.0003967700000000 ] - [ 0.0026090700000000, 0.0034944900000000, 0.0018874700000000 ] - [ -0.0006169500000000, 0.0000162000000000, 0.0002039000000000 ] - [ 0.0000748000000000, 0.0000036700000000, 0.0005887200000000 ] - [ 0.0000876800000000, 0.0000702600000000, 0.0004292300000000 ] - [ 0.0016858400000000, -0.0014196100000000, -0.0004390300000000 ] - [ -0.0001653500000000, 0.0006402400000000, 0.0005534600000000 ] - [ -0.0025859300000000, -0.0030430400000000, 0.0000606300000000 ] - [ 0.0520811600000000, 0.0347641700000000, -0.0039316700000000 ] - [ -0.0016914300000000, -0.0017968300000000, -0.0003738100000000 ] - [ -0.0008736000000000, -0.0010995300000000, -0.0003151400000000 ] - [ -0.0015035200000000, -0.0011270500000000, -0.0002318300000000 ] - [ -0.0004085500000000, -0.0009252100000000, -0.0003275800000000 ] - [ -0.0013603300000000, 0.0015503800000000, -0.0004009100000000 ] - [ -0.0009196800000000, 0.0012327800000000, -0.0003055200000000 ] - [ -0.0012165500000000, 0.0014102800000000, -0.0003692000000000 ] - [ -0.0011692000000000, 0.0013414200000000, -0.0003482000000000 ] - [ -0.0011488000000000, 0.0013573800000000, -0.0003443600000000 ] - [ -0.0010943300000000, 0.0013597300000000, -0.0003402900000000 ] - [ -0.0005114400000000, 0.0007064800000000, -0.0000665900000000 ] - [ 0.0229196700000000, -0.0148337000000000, 0.0212333700000000 ] - [ 0.0001248900000000, -0.0000114700000000, 0.0005425700000000 ] - [ -0.0000347300000000, -0.0000563300000000, 0.0008919000000000 ] - [ -0.0001148700000000, 0.0001536500000000, 0.0004842000000000 ] - [ 0.0001378900000000, 0.0001432500000000, 0.0005061100000000 ] - [ 0.0000624900000000, -0.0001846800000000, 0.0004189700000000 ] - [ 0.0000402200000000, -0.0000902200000000, 0.0006171100000000 ] - [ -0.0000291600000000, -0.0001738300000000, 0.0004105800000000 ] - [ -0.0000239200000000, -0.0001197700000000, 0.0004905400000000 ] - [ 0.0002493300000000, -0.0000183100000000, 0.0005480600000000 ] - [ -0.0000178300000000, -0.0001365000000000, 0.0004813900000000 ]- atom: 13 displacement: [ -0.0099976998849244, 0.0000000000000000, -0.0002144691376016 ] forces: - [ 0.0122395000000000, -0.0023526200000000, -0.0103607200000000 ] - [ -0.0013334900000000, 0.0011770400000000, 0.0018415800000000 ] - [ 0.0031627000000000, 0.0068278400000000, 0.0010771900000000 ] - [ -0.0005971400000000, -0.0002563600000000, 0.0011253500000000 ] - [ 0.0002378900000000, 0.0005964900000000, 0.0003275800000000 ] - [ 0.0004393900000000, 0.0005805600000000, 0.0001176700000000 ] - [ -0.0006721400000000, -0.0003588200000000, 0.0003887500000000 ] - [ -0.0003751000000000, -0.0013554000000000, -0.0011415300000000 ] - [ 0.0003085000000000, -0.0008893600000000, 0.0001817500000000 ] - [ 0.0003869400000000, -0.0010946000000000, 0.0002577000000000 ] - [ 0.0011360700000000, -0.0015680700000000, 0.0005269900000000 ] - [ 0.0002825000000000, -0.0002147300000000, 0.0001990100000000 ] - [ 0.1168999400000000, 0.0004115000000000, -0.0063127500000000 ] - [ -0.0040559300000000, 0.0007533000000000, 0.0002355400000000 ] - [ 0.0025546400000000, 0.0005050200000000, 0.0003548200000000 ] - [ -0.0001318100000000, -0.0002332600000000, -0.0004362200000000 ] - [ 0.0025658300000000, 0.0008749100000000, 0.0001249100000000 ] - [ -0.0001391000000000, 0.0002278600000000, -0.0000384500000000 ] - [ 0.0013901500000000, -0.0008208900000000, 0.0007265800000000 ] - [ 0.0004602900000000, -0.0007190200000000, -0.0007139300000000 ] - [ 0.0010045400000000, -0.0007102600000000, -0.0000964800000000 ] - [ 0.0007876800000000, -0.0008831100000000, -0.0003237200000000 ] - [ 0.0014560300000000, -0.0004588300000000, -0.0002927400000000 ] - [ 0.0009572300000000, -0.0008145700000000, -0.0002585300000000 ] - [ 0.0000001600000000, 0.0004738500000000, -0.0008366000000000 ] - [ -0.0004581700000000, 0.0002908600000000, -0.0006003200000000 ] - [ -0.0001349600000000, 0.0004565100000000, -0.0007405100000000 ] - [ -0.0004719400000000, 0.0002975700000000, -0.0006442700000000 ] - [ -0.0004921800000000, 0.0002069800000000, -0.0005757000000000 ] - [ -0.0003804300000000, 0.0003703100000000, -0.0006691600000000 ] - [ -0.0270738200000000, 0.0167078700000000, 0.0210364400000000 ] - [ 0.0001311100000000, -0.0010299600000000, -0.0018279600000000 ] - [ -0.0006430700000000, -0.0001571600000000, -0.0006411500000000 ] - [ -0.0003233500000000, -0.0003239000000000, -0.0006500600000000 ] - [ -0.0005077100000000, -0.0003350400000000, -0.0004747100000000 ] - [ -0.0004533000000000, -0.0002428400000000, -0.0006904400000000 ] - [ 0.0003302800000000, -0.0001401000000000, 0.0001812100000000 ] - [ 0.0005284100000000, -0.0001844300000000, -0.0008352300000000 ] - [ 0.0000667100000000, 0.0000595300000000, -0.0001508600000000 ] - [ 0.0000654100000000, -0.0000563600000000, -0.0000758900000000 ] - [ 0.0002458500000000, -0.0001612500000000, -0.0000317700000000 ] - [ -0.0003425600000000, -0.0000269700000000, 0.0000403300000000 ] - [ 0.0013255600000000, 0.0001804100000000, -0.0006967600000000 ] - [ -0.0093793700000000, 0.0014835600000000, 0.0038917000000000 ] - [ 0.0004714000000000, 0.0002831500000000, -0.0001437900000000 ] - [ -0.0019171400000000, 0.0000338000000000, -0.0005482300000000 ] - [ 0.0001016100000000, 0.0000552000000000, -0.0001014400000000 ] - [ 0.0000407200000000, 0.0001242900000000, -0.0001329800000000 ] - [ 0.0005903100000000, -0.0009771400000000, -0.0003525300000000 ] - [ 0.0005915100000000, -0.0011413400000000, 0.0002428300000000 ] - [ 0.0005132200000000, -0.0010039200000000, -0.0002628100000000 ] - [ 0.0005158100000000, -0.0009449800000000, -0.0002830400000000 ] - [ 0.0003772300000000, -0.0008061500000000, -0.0004411400000000 ] - [ 0.0005591100000000, -0.0011245500000000, -0.0002160400000000 ] - [ -0.0097917200000000, 0.0007551400000000, 0.0069244400000000 ] - [ 0.0016711300000000, 0.0014097800000000, -0.0012568000000000 ] - [ -0.0000879000000000, -0.0002580400000000, -0.0003373200000000 ] - [ 0.0013529000000000, 0.0014700800000000, -0.0003608400000000 ] - [ 0.0004310700000000, 0.0009340600000000, -0.0003262700000000 ] - [ 0.0007723400000000, 0.0013113400000000, -0.0001369300000000 ] - [ -0.0013855600000000, 0.0016193200000000, 0.0018803100000000 ] - [ 0.0000109200000000, 0.0003577000000000, 0.0003805300000000 ] - [ -0.0005849800000000, 0.0004097000000000, 0.0004345500000000 ] - [ -0.0005958500000000, 0.0004514300000000, 0.0003468800000000 ] - [ -0.0005459300000000, 0.0002706900000000, 0.0003179300000000 ] - [ -0.0013497000000000, 0.0023554000000000, -0.0012067400000000 ] - [ -0.0014089500000000, -0.0002481700000000, 0.0019566400000000 ] - [ -0.0001940100000000, -0.0004028500000000, 0.0003078700000000 ] - [ -0.0003403400000000, -0.0015232400000000, 0.0010858100000000 ] - [ -0.0005712000000000, -0.0001983400000000, -0.0000530100000000 ] - [ -0.0004672000000000, -0.0002033400000000, 0.0004158400000000 ] - [ -0.0005006900000000, -0.0002842200000000, 0.0003305500000000 ] - [ -0.0001074200000000, 0.0000368200000000, 0.0001436800000000 ] - [ 0.0002019100000000, -0.0003230100000000, 0.0006651400000000 ] - [ 0.0001525100000000, -0.0004173600000000, 0.0004312500000000 ] - [ 0.0002311500000000, 0.0002644700000000, 0.0008139600000000 ] - [ 0.0000746700000000, -0.0002545800000000, 0.0004476100000000 ] - [ 0.0001043500000000, -0.0000178500000000, 0.0005212700000000 ] - [ -0.0024985400000000, -0.0029843400000000, -0.0010351400000000 ] - [ 0.0007693500000000, 0.0004386600000000, 0.0007146000000000 ] - [ 0.0000752000000000, 0.0004507000000000, 0.0003302100000000 ] - [ 0.0000636600000000, 0.0004015700000000, 0.0004885100000000 ] - [ -0.0015446200000000, 0.0018856700000000, 0.0013662900000000 ] - [ 0.0003167700000000, -0.0001635800000000, 0.0003659900000000 ] - [ 0.0003132700000000, 0.0003416900000000, -0.0007547900000000 ] - [ -0.0525901100000000, -0.0358111500000000, 0.0029936100000000 ] - [ -0.0005911100000000, -0.0009072700000000, -0.0003220700000000 ] - [ -0.0014123300000000, -0.0016071100000000, -0.0003812000000000 ] - [ -0.0007743000000000, -0.0015698700000000, -0.0004659500000000 ] - [ -0.0018835300000000, -0.0017828300000000, -0.0003679900000000 ] - [ -0.0009253200000000, 0.0011550600000000, -0.0002950500000000 ] - [ -0.0013676400000000, 0.0014738100000000, -0.0003904600000000 ] - [ -0.0010711600000000, 0.0012970000000000, -0.0003264000000000 ] - [ -0.0011170300000000, 0.0013651400000000, -0.0003480300000000 ] - [ -0.0011369500000000, 0.0013490000000000, -0.0003518000000000 ] - [ -0.0011918100000000, 0.0013476200000000, -0.0003562300000000 ] - [ 0.0004564800000000, -0.0003710400000000, 0.0010033900000000 ] - [ -0.0228329700000000, 0.0147755000000000, -0.0198312200000000 ] - [ -0.0001801300000000, 0.0003464400000000, 0.0003966200000000 ] - [ -0.0000215300000000, 0.0003862600000000, 0.0000407900000000 ] - [ 0.0000575400000000, 0.0001833200000000, 0.0004500400000000 ] - [ -0.0001970500000000, 0.0001947800000000, 0.0004287500000000 ] - [ -0.0001198800000000, -0.0001517400000000, 0.0005162400000000 ] - [ -0.0000979700000000, -0.0002473300000000, 0.0003188500000000 ] - [ -0.0000286000000000, -0.0001648400000000, 0.0005234700000000 ] - [ -0.0000331600000000, -0.0002174400000000, 0.0004444800000000 ] - [ -0.0003079100000000, -0.0003194900000000, 0.0003869500000000 ] - [ -0.0000416300000000, -0.0002015600000000, 0.0004516900000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0039357600000000, 0.0067544200000000, 0.0100600500000000 ] - [ 0.0005826400000000, 0.0011544900000000, 0.0000597600000000 ] - [ -0.0009114200000000, 0.0061366700000000, -0.0018229900000000 ] - [ 0.0007175500000000, 0.0016928800000000, -0.0003581100000000 ] - [ 0.0005798400000000, 0.0026748700000000, 0.0006947100000000 ] - [ 0.0004301000000000, 0.0019246700000000, 0.0006251600000000 ] - [ 0.0002924100000000, -0.0004969000000000, 0.0011022500000000 ] - [ 0.0010268100000000, -0.0004148000000000, 0.0015957800000000 ] - [ 0.0003427200000000, -0.0000478000000000, 0.0002826300000000 ] - [ 0.0002507300000000, -0.0002972100000000, 0.0000528000000000 ] - [ 0.0008798400000000, -0.0023615900000000, -0.0001874100000000 ] - [ -0.0000508000000000, -0.0009498000000000, -0.0000928400000000 ] - [ 0.0000564400000000, -0.1116005600000000, 0.0012862400000000 ] - [ 0.0010640500000000, -0.0042039200000000, -0.0006393600000000 ] - [ 0.0009393200000000, 0.0040719700000000, -0.0004919000000000 ] - [ 0.0015713200000000, 0.0019143700000000, 0.0000317600000000 ] - [ 0.0013058400000000, 0.0040660000000000, -0.0001614100000000 ] - [ 0.0020430000000000, 0.0019138200000000, -0.0002622100000000 ] - [ 0.0009763400000000, -0.0023665800000000, 0.0004904500000000 ] - [ 0.0010987500000000, -0.0022675200000000, -0.0005817500000000 ] - [ 0.0010993300000000, 0.0000692300000000, -0.0002016100000000 ] - [ 0.0009252300000000, -0.0000604200000000, -0.0000804000000000 ] - [ 0.0013427600000000, -0.0000057300000000, 0.0001459600000000 ] - [ 0.0009863300000000, -0.0004547100000000, 0.0001782200000000 ] - [ -0.0005263800000000, 0.0001349500000000, -0.0006437600000000 ] - [ -0.0006331100000000, 0.0002371600000000, -0.0005833200000000 ] - [ -0.0003124100000000, 0.0003199700000000, -0.0007129000000000 ] - [ -0.0003422100000000, 0.0003121300000000, -0.0006920700000000 ] - [ -0.0003236200000000, 0.0003653300000000, -0.0006626800000000 ] - [ -0.0003704600000000, 0.0003161200000000, -0.0007376100000000 ] - [ -0.0194095000000000, 0.0316331000000000, 0.0258577000000000 ] - [ -0.0009970800000000, 0.0004423800000000, -0.0000184500000000 ] - [ -0.0003612700000000, -0.0006790000000000, -0.0008952000000000 ] - [ -0.0005238900000000, -0.0003645300000000, -0.0006891100000000 ] - [ 0.0003083300000000, -0.0009850600000000, -0.0014903300000000 ] - [ -0.0005754500000000, -0.0002711300000000, -0.0006215500000000 ] - [ -0.0002589400000000, 0.0002706000000000, -0.0005075300000000 ] - [ 0.0003642600000000, 0.0002506600000000, -0.0007841800000000 ] - [ 0.0001915900000000, -0.0002569700000000, 0.0000378000000000 ] - [ 0.0001320000000000, -0.0003257700000000, 0.0000546800000000 ] - [ 0.0000899100000000, 0.0000037500000000, -0.0001564100000000 ] - [ -0.0003375100000000, 0.0000213700000000, 0.0001210600000000 ] - [ -0.0002789200000000, 0.0003144700000000, 0.0005581000000000 ] - [ -0.0031186100000000, 0.0010759100000000, -0.0006487600000000 ] - [ -0.0000164900000000, -0.0002226900000000, -0.0002387600000000 ] - [ 0.0002005500000000, -0.0012303000000000, -0.0003296300000000 ] - [ -0.0000403500000000, -0.0003002300000000, -0.0002889800000000 ] - [ -0.0001058400000000, -0.0006699300000000, -0.0004558300000000 ] - [ 0.0004322200000000, -0.0007161900000000, -0.0006341100000000 ] - [ 0.0003886900000000, -0.0007490600000000, -0.0007171800000000 ] - [ 0.0006368200000000, -0.0012523000000000, -0.0001815100000000 ] - [ 0.0006230600000000, -0.0012283400000000, -0.0001428500000000 ] - [ 0.0004752700000000, -0.0007038000000000, -0.0003263600000000 ] - [ 0.0005412000000000, -0.0009413200000000, -0.0002243500000000 ] - [ 0.0034120100000000, 0.0023171100000000, -0.0046370200000000 ] - [ 0.0008562700000000, 0.0018738700000000, 0.0001525200000000 ] - [ 0.0003418900000000, -0.0002189600000000, -0.0004135300000000 ] - [ 0.0002025800000000, 0.0008153100000000, -0.0002706300000000 ] - [ 0.0001782100000000, 0.0001708800000000, -0.0006890300000000 ] - [ 0.0002003300000000, 0.0004368500000000, -0.0005948300000000 ] - [ -0.0016312000000000, -0.0000620000000000, 0.0006020300000000 ] - [ -0.0009275700000000, 0.0003026700000000, 0.0001496100000000 ] - [ -0.0001122000000000, -0.0001737900000000, 0.0002208600000000 ] - [ -0.0000091700000000, -0.0001564900000000, 0.0005497800000000 ] - [ -0.0008584700000000, 0.0008396300000000, 0.0004273600000000 ] - [ -0.0017525400000000, 0.0010842400000000, -0.0009761700000000 ] - [ -0.0016564600000000, 0.0002992300000000, -0.0027659100000000 ] - [ -0.0001431900000000, -0.0001210500000000, -0.0000590200000000 ] - [ 0.0000325200000000, -0.0009787800000000, 0.0015246300000000 ] - [ -0.0004463200000000, -0.0004103500000000, 0.0007748900000000 ] - [ -0.0007464700000000, -0.0008742100000000, 0.0002551300000000 ] - [ -0.0006585900000000, -0.0006370100000000, 0.0002824400000000 ] - [ -0.0000063800000000, 0.0007357300000000, 0.0004347900000000 ] - [ 0.0003364300000000, 0.0002622400000000, 0.0009521600000000 ] - [ 0.0000150600000000, -0.0006087000000000, 0.0002173900000000 ] - [ -0.0000624900000000, -0.0007138200000000, 0.0001298900000000 ] - [ 0.0000349100000000, -0.0007795400000000, 0.0003416500000000 ] - [ 0.0000173500000000, -0.0006419300000000, 0.0003200200000000 ] - [ -0.0000845000000000, 0.0011786200000000, -0.0000222600000000 ] - [ -0.0008111900000000, 0.0001868200000000, 0.0005703100000000 ] - [ 0.0001650500000000, -0.0008946300000000, 0.0006763100000000 ] - [ 0.0001275600000000, -0.0004366100000000, 0.0006081100000000 ] - [ -0.0000075700000000, -0.0022087800000000, 0.0001963500000000 ] - [ 0.0001028700000000, 0.0001638800000000, 0.0005654100000000 ] - [ -0.0005240600000000, 0.0001431400000000, -0.0004661900000000 ] - [ 0.0360950900000000, 0.0356263800000000, -0.0022854200000000 ] - [ -0.0015071400000000, -0.0015731100000000, -0.0003756300000000 ] - [ -0.0018389400000000, -0.0020491800000000, -0.0002655100000000 ] - [ -0.0015531700000000, -0.0014053100000000, -0.0002709000000000 ] - [ -0.0024219600000000, -0.0021828100000000, -0.0002995300000000 ] - [ -0.0015074600000000, 0.0016861600000000, -0.0003153400000000 ] - [ -0.0015386700000000, 0.0016659600000000, -0.0004036000000000 ] - [ -0.0009572200000000, 0.0011306200000000, -0.0003199100000000 ] - [ -0.0009933800000000, 0.0011850200000000, -0.0003149200000000 ] - [ -0.0010266100000000, 0.0012903500000000, -0.0003487500000000 ] - [ -0.0009980800000000, 0.0012119300000000, -0.0003882300000000 ] - [ -0.0002740900000000, 0.0006675400000000, 0.0001329000000000 ] - [ -0.0143798900000000, 0.0308550100000000, -0.0243471100000000 ] - [ -0.0002098200000000, 0.0002431300000000, 0.0003269200000000 ] - [ 0.0005390100000000, -0.0005796000000000, 0.0014742900000000 ] - [ -0.0001749300000000, 0.0002071800000000, 0.0004434300000000 ] - [ -0.0000953300000000, -0.0000546900000000, 0.0007194400000000 ] - [ -0.0001871700000000, -0.0001134900000000, 0.0005259300000000 ] - [ 0.0000279300000000, 0.0000823100000000, 0.0005292100000000 ] - [ 0.0001082600000000, -0.0000536300000000, 0.0005023600000000 ] - [ 0.0000158200000000, -0.0001563500000000, 0.0004319900000000 ] - [ 0.0002824000000000, 0.0001706000000000, 0.0005655700000000 ] - [ -0.0003260300000000, -0.0003947300000000, 0.0002540800000000 ]- atom: 13 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0032240900000000, -0.0050755400000000, -0.0095740600000000 ] - [ 0.0001525100000000, 0.0005658700000000, 0.0004841300000000 ] - [ 0.0016336100000000, -0.0044199300000000, 0.0023459000000000 ] - [ 0.0000181900000000, 0.0000343400000000, 0.0009143900000000 ] - [ 0.0001574600000000, -0.0009501000000000, -0.0001489000000000 ] - [ 0.0003069900000000, -0.0002020000000000, -0.0000800000000000 ] - [ 0.0004465500000000, -0.0012291400000000, -0.0005656500000000 ] - [ -0.0002847600000000, -0.0013097800000000, -0.0010505300000000 ] - [ 0.0003999300000000, -0.0016830500000000, 0.0002614300000000 ] - [ 0.0004901600000000, -0.0014263500000000, 0.0004985400000000 ] - [ -0.0001384800000000, 0.0006359500000000, 0.0007382500000000 ] - [ 0.0007861600000000, -0.0007860600000000, 0.0006314600000000 ] - [ 0.0009874800000000, 0.1128541100000000, -0.0028031500000000 ] - [ 0.0009959200000000, 0.0057591800000000, 0.0003871400000000 ] - [ 0.0011229600000000, -0.0025252500000000, 0.0002389900000000 ] - [ 0.0004862400000000, -0.0003745200000000, -0.0002848800000000 ] - [ 0.0007554300000000, -0.0025322500000000, -0.0000925900000000 ] - [ 0.0000206100000000, -0.0003750800000000, 0.0000119300000000 ] - [ 0.0010899500000000, 0.0008308200000000, -0.0007471700000000 ] - [ 0.0009639500000000, 0.0007279800000000, 0.0003292200000000 ] - [ 0.0009640600000000, -0.0016145300000000, -0.0000501500000000 ] - [ 0.0011397500000000, -0.0014858900000000, -0.0001701200000000 ] - [ 0.0007223800000000, -0.0015389400000000, -0.0003974000000000 ] - [ 0.0010760600000000, -0.0010894900000000, -0.0004330600000000 ] - [ -0.0002989600000000, 0.0005185800000000, -0.0007218600000000 ] - [ -0.0001905500000000, 0.0004186200000000, -0.0007858700000000 ] - [ -0.0005125800000000, 0.0003362500000000, -0.0006574500000000 ] - [ -0.0004813000000000, 0.0003441500000000, -0.0006783500000000 ] - [ -0.0005002100000000, 0.0002907800000000, -0.0007076100000000 ] - [ -0.0004527100000000, 0.0003397700000000, -0.0006318600000000 ] - [ 0.0179659700000000, -0.0318697000000000, -0.0264919600000000 ] - [ 0.0001691800000000, -0.0011008900000000, -0.0013559800000000 ] - [ -0.0004630600000000, 0.0000231200000000, -0.0004753700000000 ] - [ -0.0002987900000000, -0.0002910100000000, -0.0006815200000000 ] - [ -0.0011340000000000, 0.0003338100000000, 0.0001217900000000 ] - [ -0.0002515400000000, -0.0003827600000000, -0.0007452000000000 ] - [ 0.0004022800000000, -0.0002922900000000, 0.0002715600000000 ] - [ -0.0002202500000000, -0.0002744500000000, 0.0005514400000000 ] - [ -0.0000365800000000, 0.0002313400000000, -0.0002730400000000 ] - [ 0.0000030800000000, 0.0003079400000000, -0.0002918700000000 ] - [ 0.0000527400000000, -0.0000243300000000, -0.0000769700000000 ] - [ 0.0004928200000000, -0.0000470300000000, -0.0003566400000000 ] - [ 0.0004203700000000, -0.0002946200000000, -0.0007939400000000 ] - [ 0.0033175400000000, -0.0011516000000000, 0.0002952000000000 ] - [ 0.0001733500000000, 0.0002495600000000, 0.0000033700000000 ] - [ -0.0000549500000000, 0.0012475700000000, 0.0000972400000000 ] - [ 0.0001755400000000, 0.0003181700000000, 0.0000521400000000 ] - [ 0.0002579800000000, 0.0006959700000000, 0.0002214900000000 ] - [ 0.0006055100000000, -0.0012596200000000, 0.0000799700000000 ] - [ 0.0006490700000000, -0.0012248200000000, 0.0001601900000000 ] - [ 0.0004028400000000, -0.0007181200000000, -0.0003810700000000 ] - [ 0.0004081900000000, -0.0007492200000000, -0.0004035000000000 ] - [ 0.0005561100000000, -0.0012742800000000, -0.0002201500000000 ] - [ 0.0004970000000000, -0.0010319300000000, -0.0003322900000000 ] - [ -0.0025551300000000, -0.0004837200000000, 0.0040578800000000 ] - [ 0.0001719900000000, 0.0000999800000000, -0.0007102400000000 ] - [ 0.0006971400000000, 0.0021885300000000, -0.0001404600000000 ] - [ 0.0008369600000000, 0.0011667900000000, -0.0002771500000000 ] - [ 0.0008564600000000, 0.0018060500000000, 0.0001407700000000 ] - [ 0.0008396300000000, 0.0015331300000000, 0.0000325100000000 ] - [ 0.0006278900000000, 0.0007205000000000, 0.0001060700000000 ] - [ -0.0000531600000000, 0.0003390800000000, 0.0005375200000000 ] - [ -0.0008650000000000, 0.0008213000000000, 0.0004759700000000 ] - [ -0.0009781300000000, 0.0007975300000000, 0.0001286600000000 ] - [ -0.0001260300000000, -0.0001998400000000, 0.0002506000000000 ] - [ 0.0008060600000000, -0.0004526000000000, 0.0016955500000000 ] - [ 0.0006818600000000, -0.0009417600000000, 0.0034685500000000 ] - [ -0.0008361800000000, -0.0005261700000000, 0.0007582900000000 ] - [ -0.0010141000000000, 0.0003432100000000, -0.0008385000000000 ] - [ -0.0005390200000000, -0.0002300800000000, -0.0000971700000000 ] - [ -0.0002365100000000, 0.0002331700000000, 0.0004290100000000 ] - [ -0.0003174200000000, -0.0000104800000000, 0.0004157900000000 ] - [ 0.0001683100000000, -0.0012185000000000, 0.0004912000000000 ] - [ -0.0001759600000000, -0.0007606000000000, -0.0000223200000000 ] - [ 0.0001467000000000, 0.0001159800000000, 0.0007138400000000 ] - [ 0.0002243300000000, 0.0002167900000000, 0.0008012400000000 ] - [ 0.0001272300000000, 0.0002743200000000, 0.0005897100000000 ] - [ 0.0001438200000000, 0.0001583400000000, 0.0006102600000000 ] - [ 0.0001928200000000, -0.0005871300000000, 0.0008557400000000 ] - [ 0.0009689900000000, 0.0002898800000000, 0.0003611500000000 ] - [ -0.0000058200000000, 0.0013829500000000, 0.0002542400000000 ] - [ 0.0000326000000000, 0.0009442200000000, 0.0003228100000000 ] - [ 0.0001697400000000, 0.0027064900000000, 0.0007355700000000 ] - [ 0.0000575900000000, 0.0003443100000000, 0.0003660700000000 ] - [ -0.0017499200000000, -0.0028338400000000, -0.0002158800000000 ] - [ -0.0371098300000000, -0.0375781200000000, 0.0014650700000000 ] - [ -0.0007702400000000, -0.0011116000000000, -0.0003080600000000 ] - [ -0.0004419500000000, -0.0006383600000000, -0.0004186100000000 ] - [ -0.0007231400000000, -0.0012759700000000, -0.0004131200000000 ] - [ 0.0001444000000000, -0.0004987700000000, -0.0003846400000000 ] - [ -0.0007720100000000, 0.0010005600000000, -0.0003678000000000 ] - [ -0.0007405800000000, 0.0010208300000000, -0.0002803700000000 ] - [ -0.0013238100000000, 0.0015580200000000, -0.0003640800000000 ] - [ -0.0012872900000000, 0.0015037400000000, -0.0003697500000000 ] - [ -0.0012536800000000, 0.0013973500000000, -0.0003352200000000 ] - [ -0.0012831700000000, 0.0014762000000000, -0.0002961000000000 ] - [ 0.0002188000000000, -0.0003507200000000, 0.0007967600000000 ] - [ 0.0149001500000000, -0.0311905300000000, 0.0262195900000000 ] - [ 0.0001525400000000, 0.0000760400000000, 0.0006073100000000 ] - [ -0.0005985300000000, 0.0008949800000000, -0.0005458400000000 ] - [ 0.0001143400000000, 0.0001140200000000, 0.0004849600000000 ] - [ 0.0000362100000000, 0.0003752800000000, 0.0002096400000000 ] - [ 0.0001282400000000, -0.0002082900000000, 0.0004042000000000 ] - [ -0.0000879400000000, -0.0004049800000000, 0.0004002600000000 ] - [ -0.0001688400000000, -0.0002695300000000, 0.0004267800000000 ] - [ -0.0000760400000000, -0.0001659700000000, 0.0004971400000000 ] - [ -0.0003430800000000, -0.0004932300000000, 0.0003633100000000 ] - [ 0.0002646500000000, 0.0000719600000000, 0.0006756700000000 ]- atom: 13 displacement: [ -0.0021219046125690, 0.0000000000000000, 0.0097722832958914 ] forces: - [ 0.0124186300000000, 0.0056759800000000, -0.0006305000000000 ] - [ -0.0000892700000000, 0.0007004100000000, -0.0007540600000000 ] - [ 0.0002605600000000, -0.0080466800000000, -0.0020888300000000 ] - [ 0.0002114000000000, 0.0010848900000000, 0.0004834700000000 ] - [ 0.0002775500000000, 0.0008460700000000, 0.0002289100000000 ] - [ 0.0003665800000000, 0.0008873100000000, 0.0002537600000000 ] - [ 0.0002572000000000, -0.0000411000000000, 0.0018165600000000 ] - [ 0.0002827200000000, -0.0007616600000000, 0.0006500500000000 ] - [ 0.0003986600000000, -0.0009331700000000, 0.0002690000000000 ] - [ 0.0003548600000000, -0.0009171900000000, 0.0002657700000000 ] - [ -0.0002155100000000, -0.0021547100000000, 0.0009833100000000 ] - [ 0.0008726100000000, -0.0005748000000000, 0.0014191000000000 ] - [ 0.0338421000000000, 0.0026676600000000, -0.1017453800000000 ] - [ -0.0004113300000000, 0.0002652700000000, 0.0004381400000000 ] - [ 0.0011474200000000, 0.0006839400000000, -0.0012014500000000 ] - [ 0.0007097400000000, 0.0004240300000000, -0.0004369800000000 ] - [ 0.0009145600000000, 0.0004343900000000, -0.0012493900000000 ] - [ 0.0011034700000000, 0.0008145700000000, -0.0003517400000000 ] - [ 0.0002288700000000, -0.0013871200000000, 0.0024688700000000 ] - [ 0.0014684700000000, -0.0003144800000000, 0.0008832500000000 ] - [ 0.0009938100000000, -0.0006867400000000, 0.0003955700000000 ] - [ 0.0011790300000000, -0.0008415000000000, 0.0000039700000000 ] - [ 0.0012672700000000, -0.0009756200000000, 0.0010509700000000 ] - [ 0.0011426100000000, -0.0010827800000000, 0.0003076500000000 ] - [ 0.0001331700000000, 0.0008062800000000, -0.0011115400000000 ] - [ -0.0006019200000000, 0.0001694400000000, -0.0006816200000000 ] - [ -0.0006904800000000, 0.0002204500000000, -0.0005968300000000 ] - [ -0.0004209500000000, 0.0003238900000000, -0.0006970900000000 ] - [ -0.0003383600000000, 0.0004974900000000, -0.0009046400000000 ] - [ -0.0004106600000000, 0.0003626000000000, -0.0007809400000000 ] - [ -0.0299997100000000, 0.0292147700000000, 0.0452157400000000 ] - [ 0.0000275800000000, -0.0005630000000000, -0.0009298500000000 ] - [ -0.0004726200000000, -0.0001265100000000, -0.0004704700000000 ] - [ -0.0004156800000000, -0.0003188000000000, -0.0006045500000000 ] - [ -0.0006013400000000, -0.0001435400000000, -0.0003466500000000 ] - [ -0.0001914300000000, -0.0005315500000000, -0.0007858200000000 ] - [ 0.0000600300000000, 0.0000761200000000, -0.0002931800000000 ] - [ 0.0006328500000000, 0.0003451800000000, -0.0008715100000000 ] - [ 0.0000706500000000, 0.0000203300000000, -0.0001527800000000 ] - [ 0.0000836900000000, 0.0000714300000000, -0.0002338000000000 ] - [ -0.0002630600000000, 0.0001735100000000, -0.0004409600000000 ] - [ 0.0002511000000000, 0.0004228100000000, -0.0005915900000000 ] - [ 0.0000544000000000, 0.0001381200000000, 0.0001109300000000 ] - [ -0.0078284200000000, -0.0012223400000000, 0.0026173400000000 ] - [ 0.0001216200000000, 0.0000385300000000, -0.0000775500000000 ] - [ 0.0004888200000000, 0.0013332900000000, 0.0004497400000000 ] - [ 0.0000760800000000, 0.0000803500000000, -0.0000489700000000 ] - [ 0.0001222700000000, 0.0001648700000000, 0.0000395100000000 ] - [ 0.0006638500000000, -0.0007890400000000, -0.0009432500000000 ] - [ 0.0004488500000000, -0.0009430800000000, -0.0002951700000000 ] - [ 0.0005134800000000, -0.0009900600000000, -0.0003139600000000 ] - [ 0.0004986500000000, -0.0009585300000000, -0.0003143500000000 ] - [ 0.0006074700000000, -0.0005948200000000, -0.0007035500000000 ] - [ 0.0004591300000000, -0.0007990700000000, -0.0007815500000000 ] - [ -0.0062024200000000, -0.0016596000000000, 0.0039058500000000 ] - [ 0.0012454000000000, 0.0014869400000000, 0.0000700900000000 ] - [ -0.0001272000000000, 0.0017274000000000, 0.0015857000000000 ] - [ 0.0008553800000000, 0.0011446500000000, -0.0002994500000000 ] - [ 0.0005806800000000, 0.0010708100000000, -0.0001357600000000 ] - [ 0.0004781800000000, 0.0009773800000000, -0.0002604000000000 ] - [ -0.0014000700000000, 0.0001918100000000, -0.0005247400000000 ] - [ -0.0002356500000000, 0.0002941500000000, -0.0000025200000000 ] - [ -0.0005519500000000, 0.0003515600000000, 0.0003862400000000 ] - [ -0.0004496600000000, 0.0002732400000000, 0.0003546000000000 ] - [ -0.0003570300000000, 0.0005355400000000, 0.0003910500000000 ] - [ -0.0001830900000000, -0.0010974600000000, -0.0007113300000000 ] - [ -0.0020859300000000, -0.0005268600000000, -0.0005198900000000 ] - [ 0.0000186500000000, -0.0003775800000000, 0.0005068100000000 ] - [ -0.0009887600000000, 0.0014217800000000, -0.0008297800000000 ] - [ -0.0005132800000000, -0.0003991500000000, 0.0002619600000000 ] - [ -0.0004395600000000, -0.0003440900000000, 0.0003162500000000 ] - [ -0.0005025400000000, -0.0003478500000000, 0.0003668400000000 ] - [ 0.0000474800000000, 0.0000515500000000, -0.0002111100000000 ] - [ -0.0001364600000000, -0.0004783700000000, -0.0000254000000000 ] - [ 0.0000329900000000, -0.0008440900000000, 0.0001084400000000 ] - [ 0.0000638600000000, -0.0003369000000000, 0.0003704100000000 ] - [ 0.0000348600000000, -0.0002477200000000, 0.0003842900000000 ] - [ 0.0000365500000000, -0.0003478400000000, 0.0003752200000000 ] - [ 0.0006397500000000, 0.0051803500000000, 0.0036294900000000 ] - [ -0.0001092600000000, 0.0000591700000000, 0.0007841600000000 ] - [ 0.0001211200000000, 0.0002128100000000, 0.0004949700000000 ] - [ 0.0001194000000000, 0.0001345800000000, 0.0005637400000000 ] - [ -0.0011221500000000, -0.0013107200000000, 0.0011767000000000 ] - [ 0.0001360200000000, 0.0002060900000000, 0.0006337800000000 ] - [ -0.0003629200000000, -0.0004921800000000, -0.0014190700000000 ] - [ -0.0145102100000000, -0.0095221400000000, 0.0089396400000000 ] - [ -0.0009804600000000, -0.0012462800000000, -0.0003287100000000 ] - [ -0.0012224700000000, -0.0014594400000000, -0.0002141300000000 ] - [ -0.0011125000000000, -0.0013114900000000, -0.0003494600000000 ] - [ -0.0011168900000000, -0.0010102700000000, -0.0004903600000000 ] - [ -0.0012313500000000, 0.0013219300000000, -0.0003321000000000 ] - [ -0.0008968200000000, 0.0011978500000000, -0.0004461800000000 ] - [ -0.0012545700000000, 0.0014456700000000, -0.0003633400000000 ] - [ -0.0010001700000000, 0.0013059000000000, -0.0003646700000000 ] - [ -0.0011901300000000, 0.0013880100000000, -0.0003732300000000 ] - [ -0.0011624200000000, 0.0013336100000000, -0.0004272900000000 ] - [ -0.0000345700000000, 0.0000145900000000, 0.0005694600000000 ] - [ 0.0153243100000000, -0.0222086500000000, 0.0402570700000000 ] - [ -0.0004780100000000, 0.0005824100000000, 0.0001496500000000 ] - [ 0.0001487900000000, 0.0001284100000000, 0.0006788600000000 ] - [ -0.0000257100000000, 0.0001479300000000, 0.0005280200000000 ] - [ -0.0000346400000000, 0.0000158700000000, 0.0007010400000000 ] - [ 0.0001496900000000, -0.0001819600000000, 0.0003971700000000 ] - [ -0.0001106900000000, -0.0002900600000000, 0.0000713100000000 ] - [ -0.0000204000000000, -0.0001736600000000, 0.0004351700000000 ] - [ -0.0000392900000000, -0.0002111300000000, 0.0003522600000000 ] - [ 0.0003852600000000, 0.0003007300000000, 0.0006988500000000 ] - [ -0.0002902300000000, -0.0003233100000000, 0.0002627600000000 ]- atom: 13 displacement: [ 0.0021219046125690, 0.0000000000000000, -0.0097722832958914 ] forces: - [ -0.0118009900000000, -0.0039721700000000, 0.0012174200000000 ] - [ 0.0008242300000000, 0.0010400500000000, 0.0013022700000000 ] - [ 0.0004876700000000, 0.0098377500000000, 0.0026374100000000 ] - [ 0.0005128500000000, 0.0006482100000000, 0.0000732100000000 ] - [ 0.0004538800000000, 0.0008924700000000, 0.0003208400000000 ] - [ 0.0003652400000000, 0.0008475000000000, 0.0002942800000000 ] - [ 0.0004593500000000, -0.0017002500000000, -0.0012867000000000 ] - [ 0.0004467500000000, -0.0009782100000000, -0.0001066800000000 ] - [ 0.0003330200000000, -0.0008053100000000, 0.0002757000000000 ] - [ 0.0003765900000000, -0.0008193900000000, 0.0002831300000000 ] - [ 0.0009475200000000, 0.0004115300000000, -0.0004377900000000 ] - [ -0.0001427800000000, -0.0011706400000000, -0.0008828400000000 ] - [ -0.0312442200000000, -0.0015182400000000, 0.0999594900000000 ] - [ 0.0024654100000000, 0.0012812400000000, -0.0006753500000000 ] - [ 0.0009289900000000, 0.0008656800000000, 0.0009639500000000 ] - [ 0.0013493700000000, 0.0011176700000000, 0.0001929100000000 ] - [ 0.0011451300000000, 0.0011060900000000, 0.0010137700000000 ] - [ 0.0009688400000000, 0.0007325100000000, 0.0001103700000000 ] - [ 0.0018434300000000, -0.0001503900000000, -0.0027195100000000 ] - [ 0.0005963500000000, -0.0012313800000000, -0.0011321500000000 ] - [ 0.0010740700000000, -0.0008593500000000, -0.0006412800000000 ] - [ 0.0008879800000000, -0.0007045500000000, -0.0002466200000000 ] - [ 0.0008011100000000, -0.0005726800000000, -0.0012972800000000 ] - [ 0.0009246500000000, -0.0004629700000000, -0.0005530700000000 ] - [ -0.0009552600000000, -0.0001438200000000, -0.0002509600000000 ] - [ -0.0002155500000000, 0.0004968000000000, -0.0006829200000000 ] - [ -0.0001266300000000, 0.0004449800000000, -0.0007685800000000 ] - [ -0.0003980100000000, 0.0003420000000000, -0.0006691200000000 ] - [ -0.0004812100000000, 0.0001679900000000, -0.0004606200000000 ] - [ -0.0004084300000000, 0.0003025200000000, -0.0005843800000000 ] - [ 0.0280100300000000, -0.0286749100000000, -0.0454210200000000 ] - [ -0.0008430300000000, -0.0001063600000000, -0.0004412700000000 ] - [ -0.0003471600000000, -0.0005393500000000, -0.0008951900000000 ] - [ -0.0004023700000000, -0.0003479700000000, -0.0007620900000000 ] - [ -0.0002153600000000, -0.0005220400000000, -0.0010218500000000 ] - [ -0.0006320900000000, -0.0001330500000000, -0.0005764300000000 ] - [ 0.0001093300000000, -0.0001113500000000, 0.0000498600000000 ] - [ -0.0004737200000000, -0.0003793400000000, 0.0006271200000000 ] - [ 0.0000988400000000, -0.0000539600000000, -0.0000906500000000 ] - [ 0.0000777800000000, -0.0001025400000000, -0.0000096400000000 ] - [ 0.0004354200000000, -0.0002072700000000, 0.0002002300000000 ] - [ -0.0000830200000000, -0.0004551900000000, 0.0003487300000000 ] - [ 0.0001138300000000, -0.0001044500000000, -0.0003555800000000 ] - [ 0.0081649000000000, 0.0011162400000000, -0.0030699700000000 ] - [ 0.0000510800000000, -0.0000036200000000, -0.0001675400000000 ] - [ -0.0003397600000000, -0.0013106000000000, -0.0006977600000000 ] - [ 0.0000952000000000, -0.0000463200000000, -0.0001962200000000 ] - [ 0.0000476000000000, -0.0001306600000000, -0.0002829400000000 ] - [ 0.0003720000000000, -0.0011904800000000, 0.0003749500000000 ] - [ 0.0005771000000000, -0.0010409800000000, -0.0002593200000000 ] - [ 0.0005148800000000, -0.0009907100000000, -0.0002471400000000 ] - [ 0.0005270800000000, -0.0010250700000000, -0.0002402600000000 ] - [ 0.0004178800000000, -0.0013877600000000, 0.0001489300000000 ] - [ 0.0005666600000000, -0.0011845500000000, 0.0002281700000000 ] - [ 0.0072325500000000, 0.0036124300000000, -0.0045383100000000 ] - [ -0.0002303900000000, 0.0004970500000000, -0.0006242200000000 ] - [ 0.0011559700000000, 0.0002348200000000, -0.0021510600000000 ] - [ 0.0001762500000000, 0.0008417100000000, -0.0002554200000000 ] - [ 0.0004453300000000, 0.0009142000000000, -0.0004189400000000 ] - [ 0.0005446700000000, 0.0010048000000000, -0.0002946600000000 ] - [ 0.0003816100000000, 0.0004830700000000, 0.0012600500000000 ] - [ -0.0007522600000000, 0.0003397300000000, 0.0006935900000000 ] - [ -0.0004292900000000, 0.0002869800000000, 0.0003169700000000 ] - [ -0.0005361200000000, 0.0003634000000000, 0.0003412100000000 ] - [ -0.0006261700000000, 0.0001007100000000, 0.0003053600000000 ] - [ -0.0007712600000000, 0.0017096500000000, 0.0014198800000000 ] - [ 0.0011132100000000, -0.0001050000000000, 0.0012182600000000 ] - [ -0.0010096900000000, -0.0002565900000000, 0.0001872200000000 ] - [ 0.0000083200000000, -0.0020689100000000, 0.0015403700000000 ] - [ -0.0004731100000000, -0.0002348500000000, 0.0004299800000000 ] - [ -0.0005458600000000, -0.0002899100000000, 0.0003794500000000 ] - [ -0.0004831700000000, -0.0002873100000000, 0.0003274800000000 ] - [ 0.0001100000000000, -0.0005143500000000, 0.0011286600000000 ] - [ 0.0002925300000000, 0.0000162200000000, 0.0009494100000000 ] - [ 0.0001245700000000, 0.0003662600000000, 0.0008149400000000 ] - [ 0.0000909500000000, -0.0001266100000000, 0.0005510800000000 ] - [ 0.0001212600000000, -0.0002256700000000, 0.0005382100000000 ] - [ 0.0001194500000000, -0.0001177700000000, 0.0005470800000000 ] - [ -0.0005466300000000, -0.0046674100000000, -0.0028317300000000 ] - [ 0.0002661400000000, 0.0004055700000000, 0.0001369800000000 ] - [ 0.0000327100000000, 0.0002505200000000, 0.0004275400000000 ] - [ 0.0000335100000000, 0.0003301100000000, 0.0003576300000000 ] - [ 0.0012898100000000, 0.0017813400000000, -0.0002602700000000 ] - [ 0.0000157200000000, 0.0002557700000000, 0.0002865900000000 ] - [ -0.0019045700000000, -0.0022045900000000, 0.0007364800000000 ] - [ 0.0122937500000000, 0.0068856100000000, -0.0095633700000000 ] - [ -0.0013012200000000, -0.0014515100000000, -0.0003597700000000 ] - [ -0.0010641100000000, -0.0012430200000000, -0.0004733900000000 ] - [ -0.0011729700000000, -0.0013861000000000, -0.0003376800000000 ] - [ -0.0011624000000000, -0.0016815900000000, -0.0001960800000000 ] - [ -0.0010537100000000, 0.0013781100000000, -0.0003546500000000 ] - [ -0.0013885000000000, 0.0015024800000000, -0.0002414900000000 ] - [ -0.0010304900000000, 0.0012543400000000, -0.0003246600000000 ] - [ -0.0012851000000000, 0.0013942700000000, -0.0003229000000000 ] - [ -0.0010950900000000, 0.0013122900000000, -0.0003138200000000 ] - [ -0.0011238100000000, 0.0013680100000000, -0.0002597800000000 ] - [ -0.0000229400000000, 0.0003165500000000, 0.0003596900000000 ] - [ -0.0148305600000000, 0.0218085600000000, -0.0386600000000000 ] - [ 0.0004226100000000, -0.0002574000000000, 0.0007885500000000 ] - [ -0.0002088100000000, 0.0001998100000000, 0.0002500700000000 ] - [ -0.0000338100000000, 0.0001831300000000, 0.0004022000000000 ] - [ -0.0000232500000000, 0.0003153000000000, 0.0002275300000000 ] - [ -0.0002095000000000, -0.0001503400000000, 0.0005339800000000 ] - [ 0.0000525000000000, -0.0000405900000000, 0.0008601700000000 ] - [ -0.0000394200000000, -0.0001577200000000, 0.0004944600000000 ] - [ -0.0000181000000000, -0.0001197200000000, 0.0005787300000000 ] - [ -0.0004457700000000, -0.0006332300000000, 0.0002305900000000 ] - [ 0.0002321700000000, -0.0000059300000000, 0.0006697800000000 ]- atom: 25 displacement: [ 0.0099976998849244, 0.0000000000000000, 0.0002144691376016 ] forces: - [ -0.0030680900000000, 0.0013832100000000, -0.0027503900000000 ] - [ 0.0007872800000000, 0.0008993000000000, 0.0005533400000000 ] - [ 0.0004192400000000, 0.0012019200000000, 0.0004249300000000 ] - [ 0.0003215900000000, 0.0009668100000000, 0.0002315500000000 ] - [ 0.0003764400000000, 0.0009691900000000, 0.0003038700000000 ] - [ 0.0003701300000000, 0.0009180100000000, 0.0002791000000000 ] - [ 0.0016953400000000, -0.0010041900000000, -0.0003618600000000 ] - [ 0.0002394600000000, -0.0008453500000000, 0.0001963500000000 ] - [ 0.0003451800000000, -0.0009802400000000, 0.0002884700000000 ] - [ 0.0003434100000000, -0.0006558000000000, 0.0001992300000000 ] - [ 0.0005469700000000, -0.0014381800000000, -0.0003110300000000 ] - [ 0.0003693100000000, -0.0007535900000000, 0.0003372500000000 ] - [ 0.0006228200000000, 0.0006675200000000, 0.0003387700000000 ] - [ 0.0010891300000000, 0.0005558500000000, -0.0003080900000000 ] - [ 0.0011168400000000, 0.0008585900000000, -0.0000369300000000 ] - [ 0.0010096500000000, 0.0008106400000000, -0.0001322800000000 ] - [ 0.0007722900000000, 0.0008685900000000, -0.0004636300000000 ] - [ 0.0010997000000000, 0.0008391700000000, -0.0001222700000000 ] - [ 0.0277238300000000, 0.0176862800000000, -0.0234324700000000 ] - [ 0.0005100900000000, -0.0002081900000000, 0.0001963100000000 ] - [ 0.0012724000000000, -0.0008215500000000, -0.0001318900000000 ] - [ 0.0009529400000000, -0.0006606000000000, -0.0001457400000000 ] - [ 0.0011316100000000, -0.0014772300000000, -0.0002970900000000 ] - [ 0.0010739600000000, -0.0006128300000000, 0.0001054600000000 ] - [ -0.0374835700000000, -0.0227438500000000, 0.0255419900000000 ] - [ -0.0002764100000000, 0.0004048300000000, -0.0007959700000000 ] - [ -0.0004150700000000, 0.0003415500000000, -0.0006671100000000 ] - [ -0.0004135200000000, 0.0003125500000000, -0.0006663900000000 ] - [ -0.0004143000000000, 0.0003943400000000, -0.0007026800000000 ] - [ -0.0004121800000000, 0.0002991000000000, -0.0006965500000000 ] - [ -0.0003662500000000, -0.0003748400000000, -0.0007997100000000 ] - [ -0.0004420300000000, -0.0002807500000000, -0.0006178400000000 ] - [ -0.0004121900000000, -0.0003426600000000, -0.0006993800000000 ] - [ -0.0004243600000000, -0.0003331700000000, -0.0006709700000000 ] - [ -0.0003689900000000, -0.0003548800000000, -0.0006839000000000 ] - [ -0.0004035700000000, -0.0003489700000000, -0.0006797400000000 ] - [ 0.0001420300000000, -0.0000572400000000, -0.0000979100000000 ] - [ -0.0003309100000000, 0.0001114700000000, 0.0001716600000000 ] - [ 0.0001116600000000, -0.0000817200000000, -0.0000987200000000 ] - [ 0.0000718200000000, -0.0000136600000000, -0.0001203600000000 ] - [ 0.0001009300000000, 0.0000200700000000, -0.0001962300000000 ] - [ 0.0000026500000000, 0.0000875700000000, -0.0000867900000000 ] - [ -0.0002042600000000, 0.0000094100000000, -0.0001077300000000 ] - [ 0.0011886500000000, 0.0002679400000000, -0.0003869800000000 ] - [ 0.0001285000000000, 0.0000165400000000, -0.0001203100000000 ] - [ 0.0000785400000000, -0.0000305100000000, -0.0001825400000000 ] - [ 0.0000650300000000, 0.0000127800000000, -0.0001227800000000 ] - [ 0.0000923200000000, -0.0000051600000000, -0.0001221200000000 ] - [ -0.0011817800000000, -0.0010762600000000, 0.0009069900000000 ] - [ 0.0007863500000000, -0.0011732100000000, -0.0002234800000000 ] - [ 0.0005052400000000, -0.0009676600000000, -0.0002900800000000 ] - [ 0.0005182300000000, -0.0010527000000000, -0.0002361000000000 ] - [ 0.0003194500000000, -0.0002040800000000, 0.0001968500000000 ] - [ 0.0004164200000000, -0.0008899200000000, -0.0003116900000000 ] - [ 0.0008415400000000, 0.0012092900000000, 0.0003880400000000 ] - [ 0.0004386000000000, 0.0010215200000000, -0.0002182000000000 ] - [ 0.0004909900000000, 0.0009044200000000, -0.0003551600000000 ] - [ 0.0005126600000000, 0.0009892600000000, -0.0002471500000000 ] - [ 0.0005152100000000, 0.0009651100000000, -0.0002832700000000 ] - [ 0.0005016500000000, 0.0009710900000000, -0.0002962100000000 ] - [ -0.0005573200000000, 0.0002768900000000, 0.0004679000000000 ] - [ -0.0004403200000000, 0.0003437200000000, 0.0003746200000000 ] - [ -0.0004622700000000, 0.0003232400000000, 0.0003825900000000 ] - [ -0.0004661400000000, 0.0002240300000000, 0.0003413000000000 ] - [ -0.0004409000000000, 0.0004136900000000, 0.0005581400000000 ] - [ -0.0005498100000000, 0.0003326900000000, 0.0003003000000000 ] - [ 0.0010045000000000, -0.0021203500000000, 0.0023638800000000 ] - [ -0.0006322800000000, -0.0002280200000000, 0.0001336900000000 ] - [ -0.0005229200000000, -0.0003780100000000, 0.0003248200000000 ] - [ -0.0005199600000000, -0.0004971200000000, 0.0005603300000000 ] - [ -0.0004700400000000, -0.0003048800000000, 0.0003043600000000 ] - [ -0.0005415100000000, -0.0003712500000000, 0.0003816700000000 ] - [ -0.0003343800000000, -0.0001831900000000, 0.0006612200000000 ] - [ 0.0004157300000000, -0.0002433100000000, 0.0004733300000000 ] - [ -0.0001168100000000, -0.0004787600000000, 0.0005867800000000 ] - [ 0.0000904900000000, -0.0002413200000000, 0.0004637000000000 ] - [ 0.0001095400000000, -0.0001181500000000, 0.0004794700000000 ] - [ -0.0000179300000000, -0.0004947700000000, 0.0002988000000000 ] - [ 0.0000910800000000, -0.0000491800000000, 0.0000054100000000 ] - [ 0.0000844900000000, 0.0002093300000000, 0.0004619700000000 ] - [ 0.0000732800000000, 0.0001876400000000, 0.0004578500000000 ] - [ 0.0000783500000000, 0.0001998400000000, 0.0004680400000000 ] - [ 0.0004651500000000, -0.0003635200000000, 0.0009699600000000 ] - [ 0.0000284600000000, 0.0002241800000000, 0.0004363700000000 ] - [ -0.0011460900000000, -0.0013118500000000, -0.0003257900000000 ] - [ -0.0010272500000000, -0.0012556000000000, -0.0003497900000000 ] - [ -0.0011366600000000, -0.0013493200000000, -0.0003498100000000 ] - [ -0.0011797500000000, -0.0013805000000000, -0.0003538300000000 ] - [ -0.0011671000000000, -0.0013787900000000, -0.0003690800000000 ] - [ -0.0010526400000000, -0.0013089700000000, -0.0003320700000000 ] - [ 0.0001676100000000, 0.0006148400000000, -0.0001825200000000 ] - [ 0.0055528100000000, 0.0012305700000000, -0.0052023800000000 ] - [ -0.0011064900000000, 0.0013439600000000, -0.0003511300000000 ] - [ -0.0012654900000000, 0.0014895500000000, -0.0003576200000000 ] - [ -0.0010743000000000, 0.0012748900000000, -0.0003654400000000 ] - [ -0.0012887800000000, 0.0015631300000000, -0.0003164500000000 ] - [ -0.0000739700000000, 0.0001994600000000, 0.0004490600000000 ] - [ 0.0000063400000000, 0.0001586600000000, 0.0003890900000000 ] - [ -0.0000530800000000, 0.0001790000000000, 0.0004596500000000 ] - [ -0.0000202600000000, 0.0001625100000000, 0.0004544300000000 ] - [ -0.0000475600000000, 0.0001707400000000, 0.0004649100000000 ] - [ 0.0000178900000000, 0.0001539500000000, 0.0005463600000000 ] - [ -0.0000521100000000, -0.0000985200000000, 0.0004421400000000 ] - [ 0.0035087500000000, 0.0057163600000000, 0.0003531100000000 ] - [ -0.0000165200000000, -0.0001691200000000, 0.0004620100000000 ] - [ -0.0000302800000000, -0.0001453600000000, 0.0004898200000000 ] - [ 0.0005199100000000, 0.0003873100000000, 0.0010079800000000 ] - [ 0.0001959100000000, -0.0000852100000000, 0.0006984200000000 ]- atom: 25 displacement: [ -0.0099976998849244, 0.0000000000000000, -0.0002144691376016 ] forces: - [ 0.0038231100000000, 0.0003453900000000, 0.0033315700000000 ] - [ -0.0000588600000000, 0.0008385300000000, -0.0000101000000000 ] - [ 0.0003116600000000, 0.0005396600000000, 0.0001170900000000 ] - [ 0.0004089500000000, 0.0007779000000000, 0.0003091800000000 ] - [ 0.0003562300000000, 0.0007665100000000, 0.0002441400000000 ] - [ 0.0003594900000000, 0.0008215700000000, 0.0002625200000000 ] - [ -0.0009381400000000, -0.0007443000000000, 0.0009127800000000 ] - [ 0.0004910400000000, -0.0008983000000000, 0.0003513400000000 ] - [ 0.0003863700000000, -0.0007627600000000, 0.0002572100000000 ] - [ 0.0003921500000000, -0.0010841700000000, 0.0003503000000000 ] - [ 0.0001831200000000, -0.0002994300000000, 0.0008595700000000 ] - [ 0.0003641300000000, -0.0009740200000000, 0.0002110900000000 ] - [ 0.0014443200000000, 0.0008992500000000, -0.0005739100000000 ] - [ 0.0009795000000000, 0.0009980000000000, 0.0000651600000000 ] - [ 0.0009519300000000, 0.0006858200000000, -0.0002079600000000 ] - [ 0.0010592400000000, 0.0007356500000000, -0.0001134600000000 ] - [ 0.0012988900000000, 0.0006727600000000, 0.0002249000000000 ] - [ 0.0009672000000000, 0.0007059900000000, -0.0001239800000000 ] - [ -0.0252223500000000, -0.0185631900000000, 0.0224256700000000 ] - [ 0.0015522600000000, -0.0013495200000000, -0.0004550300000000 ] - [ 0.0007998700000000, -0.0007326600000000, -0.0001139100000000 ] - [ 0.0011163400000000, -0.0008915000000000, -0.0000984300000000 ] - [ 0.0009298400000000, -0.0000748200000000, 0.0000410500000000 ] - [ 0.0009933300000000, -0.0009383600000000, -0.0003565700000000 ] - [ 0.0361477100000000, 0.0226371000000000, -0.0259653800000000 ] - [ -0.0005452300000000, 0.0002601200000000, -0.0005636100000000 ] - [ -0.0004095700000000, 0.0003226800000000, -0.0006921900000000 ] - [ -0.0004107600000000, 0.0003513500000000, -0.0006920400000000 ] - [ -0.0004102300000000, 0.0002688100000000, -0.0006557900000000 ] - [ -0.0004114800000000, 0.0003646000000000, -0.0006614900000000 ] - [ -0.0004564500000000, -0.0002915700000000, -0.0005615400000000 ] - [ -0.0003826700000000, -0.0003829600000000, -0.0007411900000000 ] - [ -0.0004123400000000, -0.0003206300000000, -0.0006595900000000 ] - [ -0.0003989800000000, -0.0003307400000000, -0.0006878600000000 ] - [ -0.0004556200000000, -0.0003081100000000, -0.0006750700000000 ] - [ -0.0004204000000000, -0.0003144500000000, -0.0006789300000000 ] - [ 0.0000330900000000, 0.0000195700000000, -0.0001490900000000 ] - [ 0.0005093600000000, -0.0001143200000000, -0.0004597900000000 ] - [ 0.0000774600000000, 0.0000403400000000, -0.0001483700000000 ] - [ 0.0001017800000000, -0.0000218700000000, -0.0001264700000000 ] - [ 0.0000827900000000, -0.0000624600000000, -0.0000485000000000 ] - [ 0.0001772000000000, -0.0001283200000000, -0.0001583000000000 ] - [ 0.0003791000000000, 0.0000272100000000, -0.0001407700000000 ] - [ -0.0010094600000000, -0.0002283500000000, 0.0001160300000000 ] - [ 0.0000588000000000, 0.0000257300000000, -0.0001245500000000 ] - [ 0.0000989500000000, 0.0000698500000000, -0.0000628800000000 ] - [ 0.0001052400000000, 0.0000242200000000, -0.0001251600000000 ] - [ 0.0000956900000000, 0.0000489600000000, -0.0001236900000000 ] - [ 0.0021981400000000, -0.0009254900000000, -0.0014417700000000 ] - [ 0.0002302000000000, -0.0008095900000000, -0.0003308300000000 ] - [ 0.0005138600000000, -0.0010174300000000, -0.0002615100000000 ] - [ 0.0004931900000000, -0.0009371600000000, -0.0003044800000000 ] - [ 0.0007038200000000, -0.0017896300000000, -0.0007436100000000 ] - [ 0.0005998000000000, -0.0011013100000000, -0.0002312400000000 ] - [ 0.0001738600000000, 0.0007739100000000, -0.0009480900000000 ] - [ 0.0005816800000000, 0.0009634000000000, -0.0003349300000000 ] - [ 0.0005278800000000, 0.0010843500000000, -0.0001914200000000 ] - [ 0.0005003100000000, 0.0010003600000000, -0.0002934000000000 ] - [ 0.0004984300000000, 0.0010267300000000, -0.0002570500000000 ] - [ 0.0005212900000000, 0.0010138400000000, -0.0002615500000000 ] - [ -0.0004339700000000, 0.0003539200000000, 0.0002141300000000 ] - [ -0.0005445100000000, 0.0002899700000000, 0.0003150000000000 ] - [ -0.0005241100000000, 0.0003122000000000, 0.0003079300000000 ] - [ -0.0005281800000000, 0.0004057100000000, 0.0003370000000000 ] - [ -0.0005469800000000, 0.0002171000000000, 0.0001265100000000 ] - [ -0.0004399000000000, 0.0002967600000000, 0.0003824700000000 ] - [ -0.0020901400000000, 0.0014864600000000, -0.0016894200000000 ] - [ -0.0003518500000000, -0.0004076700000000, 0.0005599300000000 ] - [ -0.0004623400000000, -0.0002553300000000, 0.0003663400000000 ] - [ -0.0004627100000000, -0.0001312800000000, 0.0001324900000000 ] - [ -0.0005200100000000, -0.0003229100000000, 0.0003772600000000 ] - [ -0.0004391300000000, -0.0002635500000000, 0.0003175200000000 ] - [ 0.0004889400000000, -0.0002700200000000, 0.0002717500000000 ] - [ -0.0002614600000000, -0.0002088900000000, 0.0004415100000000 ] - [ 0.0002674200000000, 0.0000327800000000, 0.0003323700000000 ] - [ 0.0000633200000000, -0.0002131500000000, 0.0004546100000000 ] - [ 0.0000450400000000, -0.0003383500000000, 0.0004407100000000 ] - [ 0.0001707900000000, 0.0000575300000000, 0.0006208400000000 ] - [ 0.0000628500000000, 0.0005030500000000, 0.0009193300000000 ] - [ 0.0000669000000000, 0.0002321000000000, 0.0004580700000000 ] - [ 0.0000778400000000, 0.0002576700000000, 0.0004608600000000 ] - [ 0.0000733000000000, 0.0002635400000000, 0.0004496800000000 ] - [ -0.0003183700000000, 0.0008280100000000, -0.0000605000000000 ] - [ 0.0001239700000000, 0.0002354000000000, 0.0004819100000000 ] - [ -0.0011361000000000, -0.0013906700000000, -0.0003642800000000 ] - [ -0.0012557500000000, -0.0014491500000000, -0.0003397300000000 ] - [ -0.0011445500000000, -0.0013527800000000, -0.0003396400000000 ] - [ -0.0011004000000000, -0.0013203400000000, -0.0003357900000000 ] - [ -0.0011133000000000, -0.0013223100000000, -0.0003203200000000 ] - [ -0.0012278300000000, -0.0013922700000000, -0.0003574100000000 ] - [ -0.0024871500000000, 0.0020977000000000, -0.0005157300000000 ] - [ -0.0077154800000000, 0.0014784300000000, 0.0044110200000000 ] - [ -0.0011754600000000, 0.0013587000000000, -0.0003375500000000 ] - [ -0.0010190400000000, 0.0012141000000000, -0.0003319300000000 ] - [ -0.0012079500000000, 0.0014273700000000, -0.0003237600000000 ] - [ -0.0009923000000000, 0.0011399000000000, -0.0003719600000000 ] - [ 0.0000201100000000, 0.0001252300000000, 0.0004871600000000 ] - [ -0.0000594200000000, 0.0001655000000000, 0.0005451400000000 ] - [ 0.0000004200000000, 0.0001462400000000, 0.0004758600000000 ] - [ -0.0000342200000000, 0.0001634900000000, 0.0004810100000000 ] - [ -0.0000058300000000, 0.0001541700000000, 0.0004705500000000 ] - [ -0.0000721400000000, 0.0001718200000000, 0.0003873000000000 ] - [ -0.0000001900000000, -0.0002274000000000, 0.0004955000000000 ] - [ -0.0035405000000000, -0.0059711700000000, 0.0005550400000000 ] - [ -0.0000378700000000, -0.0001567500000000, 0.0004729100000000 ] - [ -0.0000242900000000, -0.0001805400000000, 0.0004454800000000 ] - [ -0.0005786500000000, -0.0007145800000000, -0.0000731300000000 ] - [ -0.0002449000000000, -0.0002384900000000, 0.0002418200000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0010753400000000, 0.0014422500000000, -0.0016758700000000 ] - [ 0.0007116400000000, 0.0008751500000000, 0.0006157000000000 ] - [ 0.0004516300000000, 0.0016136000000000, 0.0003459100000000 ] - [ 0.0002506800000000, 0.0010849700000000, 0.0001188800000000 ] - [ 0.0003698900000000, 0.0008688200000000, 0.0002930800000000 ] - [ 0.0003578900000000, 0.0008197300000000, 0.0002652300000000 ] - [ 0.0017181300000000, -0.0011176100000000, 0.0004856400000000 ] - [ 0.0002346200000000, -0.0008371000000000, 0.0001467300000000 ] - [ 0.0003689700000000, -0.0011140500000000, 0.0003188600000000 ] - [ 0.0003691800000000, -0.0008878400000000, 0.0002637000000000 ] - [ 0.0003093000000000, -0.0013451900000000, -0.0003930700000000 ] - [ 0.0003583700000000, -0.0010702200000000, 0.0002910200000000 ] - [ 0.0008913500000000, 0.0005724600000000, 0.0003322700000000 ] - [ 0.0010827200000000, 0.0006780400000000, -0.0002808200000000 ] - [ 0.0011613200000000, 0.0008082400000000, 0.0000734800000000 ] - [ 0.0010003500000000, 0.0007584200000000, -0.0001002800000000 ] - [ 0.0009179100000000, 0.0007618500000000, -0.0002647400000000 ] - [ 0.0010736300000000, 0.0007529800000000, -0.0001247900000000 ] - [ 0.0186653800000000, 0.0311407100000000, -0.0263193100000000 ] - [ 0.0003381200000000, 0.0000017900000000, -0.0000443200000000 ] - [ 0.0012181700000000, -0.0011211900000000, -0.0002964100000000 ] - [ 0.0010486600000000, -0.0008054700000000, -0.0001357600000000 ] - [ 0.0010398500000000, -0.0014266700000000, -0.0003138400000000 ] - [ 0.0011212200000000, -0.0007159400000000, 0.0000976400000000 ] - [ -0.0240416400000000, -0.0382053400000000, 0.0267726100000000 ] - [ -0.0003394500000000, 0.0003393700000000, -0.0007201600000000 ] - [ -0.0003487600000000, 0.0003837000000000, -0.0007116600000000 ] - [ -0.0004460500000000, 0.0003134700000000, -0.0006593600000000 ] - [ -0.0004025400000000, 0.0003838800000000, -0.0007099400000000 ] - [ -0.0004309500000000, 0.0003140300000000, -0.0006968500000000 ] - [ -0.0003704300000000, -0.0002592600000000, -0.0007420600000000 ] - [ -0.0004649000000000, -0.0002703800000000, -0.0006201600000000 ] - [ -0.0004006300000000, -0.0003689400000000, -0.0007111000000000 ] - [ -0.0004112600000000, -0.0003317300000000, -0.0006845600000000 ] - [ -0.0003885300000000, -0.0003418600000000, -0.0006831300000000 ] - [ -0.0003948700000000, -0.0003423600000000, -0.0006867900000000 ] - [ 0.0001723400000000, -0.0001080000000000, -0.0000437500000000 ] - [ 0.0001868000000000, 0.0015099200000000, -0.0016976500000000 ] - [ 0.0000905200000000, -0.0000182300000000, -0.0001272100000000 ] - [ 0.0000529000000000, 0.0000519000000000, -0.0001343000000000 ] - [ 0.0000885000000000, 0.0000591800000000, -0.0001817600000000 ] - [ 0.0000649600000000, 0.0000801300000000, -0.0001183900000000 ] - [ -0.0001942700000000, -0.0000295800000000, -0.0001566500000000 ] - [ 0.0006883800000000, 0.0003897400000000, -0.0005388600000000 ] - [ 0.0001513100000000, 0.0000091600000000, -0.0001076500000000 ] - [ 0.0000171400000000, -0.0001004200000000, -0.0001910000000000 ] - [ 0.0000851800000000, 0.0000405900000000, -0.0001067700000000 ] - [ 0.0000916800000000, 0.0000273800000000, -0.0001135900000000 ] - [ 0.0006308000000000, 0.0008114000000000, -0.0021625800000000 ] - [ 0.0007864000000000, -0.0012254900000000, -0.0001986600000000 ] - [ 0.0004798800000000, -0.0008953600000000, -0.0003257800000000 ] - [ 0.0004889600000000, -0.0009764700000000, -0.0002774700000000 ] - [ 0.0008088300000000, 0.0005725000000000, 0.0005737000000000 ] - [ 0.0004972500000000, -0.0009429600000000, -0.0003166100000000 ] - [ 0.0006718300000000, 0.0010951300000000, 0.0001208200000000 ] - [ 0.0004458900000000, 0.0009976300000000, -0.0002650300000000 ] - [ 0.0005047400000000, 0.0008081300000000, -0.0004111700000000 ] - [ 0.0005131700000000, 0.0009783700000000, -0.0002209700000000 ] - [ 0.0005222900000000, 0.0009944400000000, -0.0002764000000000 ] - [ 0.0005131100000000, 0.0010021800000000, -0.0002758000000000 ] - [ -0.0007102400000000, 0.0002048000000000, 0.0000057500000000 ] - [ -0.0003778900000000, 0.0003132400000000, 0.0003518800000000 ] - [ -0.0004919700000000, 0.0003825800000000, 0.0003594100000000 ] - [ -0.0004975100000000, 0.0003076700000000, 0.0003425200000000 ] - [ -0.0004442900000000, 0.0003545200000000, 0.0004865400000000 ] - [ -0.0005279100000000, 0.0003713300000000, 0.0003618000000000 ] - [ -0.0006668600000000, 0.0000408000000000, 0.0013054700000000 ] - [ -0.0004935000000000, -0.0002736100000000, 0.0001939500000000 ] - [ -0.0005427200000000, -0.0004611300000000, 0.0003681400000000 ] - [ -0.0004370600000000, -0.0004327300000000, 0.0007018700000000 ] - [ -0.0004527100000000, -0.0002739200000000, 0.0003132200000000 ] - [ -0.0004615900000000, -0.0002902900000000, 0.0003823600000000 ] - [ -0.0000967600000000, -0.0005693600000000, 0.0009740800000000 ] - [ 0.0000240600000000, -0.0001142900000000, 0.0005478100000000 ] - [ 0.0000102500000000, 0.0001996600000000, 0.0004517500000000 ] - [ 0.0000970500000000, -0.0002450900000000, 0.0004795200000000 ] - [ 0.0001046900000000, -0.0000708800000000, 0.0004885500000000 ] - [ 0.0000454500000000, -0.0002597200000000, 0.0004189900000000 ] - [ -0.0001520000000000, -0.0001197500000000, 0.0003942600000000 ] - [ 0.0000941700000000, 0.0001472400000000, 0.0004867700000000 ] - [ 0.0000678400000000, 0.0002467800000000, 0.0004427200000000 ] - [ 0.0000692400000000, 0.0002759600000000, 0.0004448600000000 ] - [ 0.0001873400000000, 0.0000302800000000, 0.0006369900000000 ] - [ 0.0000316000000000, 0.0002624300000000, 0.0004114400000000 ] - [ -0.0011762200000000, -0.0013340700000000, -0.0003175400000000 ] - [ -0.0010904400000000, -0.0012858400000000, -0.0003621900000000 ] - [ -0.0011235800000000, -0.0013400600000000, -0.0003470800000000 ] - [ -0.0011639100000000, -0.0013676500000000, -0.0003627700000000 ] - [ -0.0011506700000000, -0.0013534800000000, -0.0003552500000000 ] - [ -0.0010896200000000, -0.0013221400000000, -0.0003350100000000 ] - [ -0.0008477400000000, 0.0006497600000000, -0.0006559100000000 ] - [ -0.0009381200000000, -0.0026677500000000, 0.0017909600000000 ] - [ -0.0011229800000000, 0.0013516100000000, -0.0003607700000000 ] - [ -0.0013664500000000, 0.0015201200000000, -0.0003471600000000 ] - [ -0.0011178100000000, 0.0012960800000000, -0.0003679500000000 ] - [ -0.0012938800000000, 0.0015516100000000, -0.0002934400000000 ] - [ -0.0000578500000000, 0.0001779600000000, 0.0004602700000000 ] - [ -0.0000342100000000, 0.0001748300000000, 0.0003872900000000 ] - [ 0.0000169600000000, 0.0001132000000000, 0.0004907000000000 ] - [ -0.0000806400000000, 0.0002091100000000, 0.0004087300000000 ] - [ -0.0000224400000000, 0.0001537300000000, 0.0004707000000000 ] - [ -0.0000051100000000, 0.0001594100000000, 0.0004968600000000 ] - [ 0.0000159500000000, -0.0001194000000000, 0.0005197100000000 ] - [ 0.0052149000000000, 0.0050447500000000, 0.0001444500000000 ] - [ -0.0000319900000000, -0.0001688600000000, 0.0004636100000000 ] - [ -0.0000388300000000, -0.0001283100000000, 0.0005247600000000 ] - [ 0.0001039000000000, 0.0000804900000000, 0.0005870200000000 ] - [ 0.0001198900000000, 0.0000948100000000, 0.0007171600000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0018079800000000, 0.0002928200000000, 0.0022286900000000 ] - [ 0.0000199600000000, 0.0008618300000000, -0.0000702800000000 ] - [ 0.0002800800000000, 0.0001422700000000, 0.0002034500000000 ] - [ 0.0004854900000000, 0.0006566500000000, 0.0004245800000000 ] - [ 0.0003612000000000, 0.0008745100000000, 0.0002551300000000 ] - [ 0.0003705000000000, 0.0009201300000000, 0.0002814400000000 ] - [ -0.0009997500000000, -0.0006195100000000, 0.0000663800000000 ] - [ 0.0005043200000000, -0.0008976700000000, 0.0003966100000000 ] - [ 0.0003620600000000, -0.0006269500000000, 0.0002260000000000 ] - [ 0.0003625800000000, -0.0008475000000000, 0.0002859700000000 ] - [ 0.0004224500000000, -0.0004036000000000, 0.0009481000000000 ] - [ 0.0003765700000000, -0.0006725200000000, 0.0002587200000000 ] - [ 0.0011830200000000, 0.0009623400000000, -0.0005715100000000 ] - [ 0.0009837100000000, 0.0008660400000000, 0.0000371000000000 ] - [ 0.0009086000000000, 0.0007417800000000, -0.0003142500000000 ] - [ 0.0010673700000000, 0.0007892200000000, -0.0001430900000000 ] - [ 0.0011505100000000, 0.0007849500000000, 0.0000206600000000 ] - [ 0.0009941900000000, 0.0007928600000000, -0.0001187900000000 ] - [ -0.0159439500000000, -0.0323685100000000, 0.0253984700000000 ] - [ 0.0017239600000000, -0.0015483000000000, -0.0002054800000000 ] - [ 0.0008502600000000, -0.0004241200000000, 0.0000510400000000 ] - [ 0.0010195700000000, -0.0007395200000000, -0.0001072300000000 ] - [ 0.0010295900000000, -0.0001141200000000, 0.0000766200000000 ] - [ 0.0009458300000000, -0.0008343400000000, -0.0003434000000000 ] - [ 0.0225153400000000, 0.0385419000000000, -0.0273811000000000 ] - [ -0.0004836400000000, 0.0003255200000000, -0.0006362700000000 ] - [ -0.0004727900000000, 0.0002816900000000, -0.0006466200000000 ] - [ -0.0003762600000000, 0.0003525300000000, -0.0006975500000000 ] - [ -0.0004195600000000, 0.0002815800000000, -0.0006484100000000 ] - [ -0.0003906400000000, 0.0003523300000000, -0.0006605600000000 ] - [ -0.0004535300000000, -0.0004050000000000, -0.0006148000000000 ] - [ -0.0003570400000000, -0.0003950500000000, -0.0007370300000000 ] - [ -0.0004213600000000, -0.0002979300000000, -0.0006473400000000 ] - [ -0.0004106400000000, -0.0003350500000000, -0.0006733200000000 ] - [ -0.0004332800000000, -0.0003241000000000, -0.0006742300000000 ] - [ -0.0004273600000000, -0.0003238400000000, -0.0006709200000000 ] - [ -0.0000020400000000, 0.0000671000000000, -0.0002032000000000 ] - [ -0.0000013200000000, -0.0015399100000000, 0.0014284000000000 ] - [ 0.0001003600000000, -0.0000307900000000, -0.0001195300000000 ] - [ 0.0001111900000000, -0.0000900500000000, -0.0001131200000000 ] - [ 0.0000944200000000, -0.0001025000000000, -0.0000650200000000 ] - [ 0.0001033800000000, -0.0001173800000000, -0.0001293800000000 ] - [ 0.0003694400000000, 0.0000721900000000, -0.0000904500000000 ] - [ -0.0005066400000000, -0.0003429400000000, 0.0003026200000000 ] - [ 0.0000411800000000, 0.0000399600000000, -0.0001391900000000 ] - [ 0.0001535200000000, 0.0001386000000000, -0.0000581300000000 ] - [ 0.0000773600000000, -0.0000034000000000, -0.0001413700000000 ] - [ 0.0000871900000000, 0.0000163800000000, -0.0001331300000000 ] - [ 0.0003827400000000, -0.0027377000000000, 0.0015464000000000 ] - [ 0.0002356000000000, -0.0007608400000000, -0.0003600200000000 ] - [ 0.0005474200000000, -0.0010887000000000, -0.0002417500000000 ] - [ 0.0005257900000000, -0.0010164600000000, -0.0002674600000000 ] - [ 0.0002042800000000, -0.0025963100000000, -0.0011605200000000 ] - [ 0.0005196200000000, -0.0010467500000000, -0.0002335900000000 ] - [ 0.0003429500000000, 0.0008981900000000, -0.0006675400000000 ] - [ 0.0005778200000000, 0.0009898000000000, -0.0002935200000000 ] - [ 0.0005181400000000, 0.0011743600000000, -0.0001505400000000 ] - [ 0.0004996900000000, 0.0010139800000000, -0.0003217500000000 ] - [ 0.0004962000000000, 0.0009943100000000, -0.0002760400000000 ] - [ 0.0005141400000000, 0.0009805000000000, -0.0002906400000000 ] - [ -0.0002815300000000, 0.0004223200000000, 0.0006830000000000 ] - [ -0.0006105100000000, 0.0003174900000000, 0.0003468100000000 ] - [ -0.0004927000000000, 0.0002504100000000, 0.0003468700000000 ] - [ -0.0004985500000000, 0.0003148500000000, 0.0003409300000000 ] - [ -0.0005425400000000, 0.0002794300000000, 0.0002136300000000 ] - [ -0.0004667200000000, 0.0002560000000000, 0.0003247300000000 ] - [ -0.0003606200000000, -0.0007274900000000, -0.0006005800000000 ] - [ -0.0004934800000000, -0.0003564200000000, 0.0005051700000000 ] - [ -0.0004450700000000, -0.0001722700000000, 0.0003323000000000 ] - [ -0.0005558600000000, -0.0001881100000000, -0.0000108700000000 ] - [ -0.0005388500000000, -0.0003545300000000, 0.0003798300000000 ] - [ -0.0005209900000000, -0.0003448600000000, 0.0003265600000000 ] - [ 0.0002494500000000, 0.0001161400000000, -0.0000412500000000 ] - [ 0.0001271600000000, -0.0003286200000000, 0.0003708900000000 ] - [ 0.0001438700000000, -0.0006456300000000, 0.0004644100000000 ] - [ 0.0000550800000000, -0.0002140100000000, 0.0004378200000000 ] - [ 0.0000484000000000, -0.0003964200000000, 0.0004289500000000 ] - [ 0.0001050600000000, -0.0001808900000000, 0.0004969100000000 ] - [ 0.0003028700000000, 0.0005689300000000, 0.0005134100000000 ] - [ 0.0000551900000000, 0.0002881600000000, 0.0004308100000000 ] - [ 0.0000821900000000, 0.0002005200000000, 0.0004758900000000 ] - [ 0.0000825500000000, 0.0001903000000000, 0.0004733300000000 ] - [ -0.0000359000000000, 0.0004116200000000, 0.0002823500000000 ] - [ 0.0001199500000000, 0.0001949100000000, 0.0005073300000000 ] - [ -0.0011059300000000, -0.0013674400000000, -0.0003760000000000 ] - [ -0.0011903500000000, -0.0014166800000000, -0.0003316800000000 ] - [ -0.0011593700000000, -0.0013643200000000, -0.0003474000000000 ] - [ -0.0011193000000000, -0.0013366200000000, -0.0003310800000000 ] - [ -0.0011315400000000, -0.0013500100000000, -0.0003387000000000 ] - [ -0.0011929800000000, -0.0013812000000000, -0.0003583900000000 ] - [ -0.0014227000000000, 0.0020525900000000, -0.0000292600000000 ] - [ -0.0013407200000000, 0.0053510300000000, -0.0024640400000000 ] - [ -0.0011586800000000, 0.0013507200000000, -0.0003331500000000 ] - [ -0.0009163900000000, 0.0011823100000000, -0.0003467600000000 ] - [ -0.0011645400000000, 0.0014078700000000, -0.0003257500000000 ] - [ -0.0009865000000000, 0.0011485200000000, -0.0004018400000000 ] - [ 0.0000028000000000, 0.0001529900000000, 0.0004767200000000 ] - [ -0.0000210700000000, 0.0001558300000000, 0.0005485400000000 ] - [ -0.0000716600000000, 0.0002174700000000, 0.0004462700000000 ] - [ 0.0000254000000000, 0.0001214600000000, 0.0005280700000000 ] - [ -0.0000332600000000, 0.0001773400000000, 0.0004652400000000 ] - [ -0.0000495000000000, 0.0001705000000000, 0.0004405000000000 ] - [ -0.0000697100000000, -0.0002094000000000, 0.0004193200000000 ] - [ -0.0051796100000000, -0.0053144000000000, 0.0007546100000000 ] - [ -0.0000238700000000, -0.0001626000000000, 0.0004728300000000 ] - [ -0.0000161800000000, -0.0002031200000000, 0.0004109700000000 ] - [ -0.0001549900000000, -0.0004053500000000, 0.0003592800000000 ] - [ -0.0001756000000000, -0.0004342900000000, 0.0002141800000000 ]- atom: 25 displacement: [ -0.0021219046125690, 0.0000000000000000, 0.0097722832958914 ] forces: - [ 0.0016450100000000, 0.0001690600000000, 0.0023961900000000 ] - [ 0.0000314900000000, 0.0008912500000000, -0.0001399700000000 ] - [ 0.0003782300000000, 0.0004944200000000, 0.0000171000000000 ] - [ 0.0003109300000000, 0.0009365200000000, 0.0000589700000000 ] - [ 0.0003585100000000, 0.0008522700000000, 0.0002338000000000 ] - [ 0.0003685900000000, 0.0008499300000000, 0.0002754100000000 ] - [ -0.0023271600000000, -0.0001946800000000, 0.0004921400000000 ] - [ 0.0005644700000000, -0.0009072700000000, 0.0005303800000000 ] - [ 0.0003866300000000, -0.0006226000000000, 0.0002550300000000 ] - [ 0.0003820500000000, -0.0009953500000000, 0.0003279600000000 ] - [ 0.0000287800000000, -0.0015205900000000, 0.0013226100000000 ] - [ 0.0004191100000000, -0.0008800200000000, 0.0002589900000000 ] - [ 0.0012810000000000, 0.0008417600000000, -0.0006205600000000 ] - [ 0.0009429800000000, 0.0009240600000000, -0.0001039100000000 ] - [ 0.0009178600000000, 0.0007764300000000, -0.0003898700000000 ] - [ 0.0010289700000000, 0.0007143400000000, -0.0002265100000000 ] - [ 0.0011459300000000, 0.0007262900000000, 0.0000445600000000 ] - [ 0.0009823900000000, 0.0007538700000000, -0.0001494400000000 ] - [ -0.0258226900000000, -0.0297114200000000, 0.0450214900000000 ] - [ 0.0022566400000000, -0.0015405200000000, -0.0001945700000000 ] - [ 0.0009403600000000, -0.0005630200000000, 0.0000774600000000 ] - [ 0.0010187800000000, -0.0007971500000000, -0.0000507200000000 ] - [ 0.0008099900000000, 0.0001580200000000, 0.0002012800000000 ] - [ 0.0010352800000000, -0.0008734900000000, -0.0002828000000000 ] - [ 0.0330264700000000, 0.0311065200000000, -0.0511234700000000 ] - [ -0.0005593200000000, 0.0002754200000000, -0.0005811200000000 ] - [ -0.0004381000000000, 0.0003003000000000, -0.0006803500000000 ] - [ -0.0004336100000000, 0.0003183500000000, -0.0006806600000000 ] - [ -0.0004039500000000, 0.0002868100000000, -0.0006718300000000 ] - [ -0.0004031200000000, 0.0003578500000000, -0.0006747600000000 ] - [ -0.0005434400000000, -0.0002614800000000, -0.0005753600000000 ] - [ -0.0003490100000000, -0.0003998900000000, -0.0007248100000000 ] - [ -0.0004364000000000, -0.0002984700000000, -0.0006306500000000 ] - [ -0.0004051600000000, -0.0003266500000000, -0.0006581300000000 ] - [ -0.0004296400000000, -0.0003228300000000, -0.0006760000000000 ] - [ -0.0004185400000000, -0.0003207700000000, -0.0006691600000000 ] - [ 0.0000206800000000, 0.0000570800000000, -0.0002189400000000 ] - [ -0.0000061700000000, -0.0026815200000000, 0.0020653300000000 ] - [ 0.0000930700000000, 0.0000146300000000, -0.0001481300000000 ] - [ 0.0001004400000000, -0.0000657900000000, -0.0001312600000000 ] - [ 0.0000630700000000, -0.0000742200000000, -0.0000652900000000 ] - [ 0.0001614500000000, 0.0000068500000000, -0.0002317000000000 ] - [ 0.0003695000000000, 0.0000651600000000, -0.0000833600000000 ] - [ -0.0005473100000000, -0.0004467500000000, 0.0006346000000000 ] - [ 0.0001339400000000, 0.0000623500000000, -0.0000546500000000 ] - [ 0.0000953600000000, 0.0001020000000000, -0.0000331200000000 ] - [ 0.0000943000000000, 0.0000223700000000, -0.0001285200000000 ] - [ 0.0000898400000000, 0.0000329200000000, -0.0001190400000000 ] - [ 0.0017956000000000, -0.0022881900000000, -0.0000328600000000 ] - [ 0.0001220300000000, -0.0007392400000000, -0.0003991400000000 ] - [ 0.0005186200000000, -0.0010585400000000, -0.0002638600000000 ] - [ 0.0005254300000000, -0.0009859800000000, -0.0002887900000000 ] - [ 0.0011396600000000, -0.0008089100000000, -0.0007321500000000 ] - [ 0.0005448400000000, -0.0010706200000000, -0.0002508100000000 ] - [ 0.0003886700000000, 0.0009255400000000, -0.0004768800000000 ] - [ 0.0005579200000000, 0.0009894900000000, -0.0002694100000000 ] - [ 0.0005134400000000, 0.0011085900000000, -0.0001614900000000 ] - [ 0.0005108600000000, 0.0010307900000000, -0.0001904600000000 ] - [ 0.0005026400000000, 0.0010118800000000, -0.0002618600000000 ] - [ 0.0005138400000000, 0.0010015600000000, -0.0002699600000000 ] - [ -0.0001187000000000, 0.0003176300000000, 0.0005677100000000 ] - [ -0.0006610900000000, 0.0002973600000000, 0.0003180700000000 ] - [ -0.0005088800000000, 0.0002490000000000, 0.0003195200000000 ] - [ -0.0005087500000000, 0.0003572900000000, 0.0003459600000000 ] - [ -0.0005042200000000, 0.0003623200000000, 0.0001218300000000 ] - [ -0.0004840700000000, 0.0002858700000000, 0.0003323800000000 ] - [ -0.0004606300000000, 0.0005964900000000, 0.0010592900000000 ] - [ -0.0004742200000000, -0.0003746700000000, 0.0005987800000000 ] - [ -0.0004489100000000, -0.0002414800000000, 0.0004074800000000 ] - [ -0.0003735300000000, -0.0003435400000000, 0.0006235200000000 ] - [ -0.0005352200000000, -0.0003537000000000, 0.0003963300000000 ] - [ -0.0004905200000000, -0.0003084500000000, 0.0003174500000000 ] - [ 0.0000349300000000, 0.0001244500000000, 0.0030460300000000 ] - [ -0.0001258400000000, -0.0002401400000000, 0.0004000200000000 ] - [ 0.0003099000000000, -0.0005344000000000, 0.0003265300000000 ] - [ 0.0000469700000000, -0.0002250500000000, 0.0004150800000000 ] - [ 0.0000354800000000, -0.0004050400000000, 0.0004225000000000 ] - [ 0.0001526600000000, -0.0000164800000000, 0.0005774400000000 ] - [ -0.0001311700000000, 0.0005494400000000, 0.0012790500000000 ] - [ 0.0000781500000000, 0.0001961500000000, 0.0004995200000000 ] - [ 0.0000867600000000, 0.0002001500000000, 0.0004847400000000 ] - [ 0.0000864800000000, 0.0002182700000000, 0.0004794900000000 ] - [ -0.0000908700000000, 0.0005364500000000, 0.0002058400000000 ] - [ 0.0001176000000000, 0.0001859900000000, 0.0005133200000000 ] - [ -0.0011028500000000, -0.0013645300000000, -0.0003730800000000 ] - [ -0.0012289400000000, -0.0014271500000000, -0.0003339000000000 ] - [ -0.0011404300000000, -0.0013497000000000, -0.0003424000000000 ] - [ -0.0011257400000000, -0.0013547000000000, -0.0003265500000000 ] - [ -0.0011229600000000, -0.0013370800000000, -0.0003329000000000 ] - [ -0.0011807100000000, -0.0013517900000000, -0.0003699900000000 ] - [ -0.0013652300000000, 0.0020407800000000, 0.0001555600000000 ] - [ -0.0067571500000000, 0.0036063600000000, 0.0007545100000000 ] - [ -0.0011545800000000, 0.0013517300000000, -0.0003372000000000 ] - [ -0.0010107100000000, 0.0012777800000000, -0.0003155300000000 ] - [ -0.0012098000000000, 0.0014180000000000, -0.0003274100000000 ] - [ -0.0008878900000000, 0.0010456000000000, -0.0004045000000000 ] - [ 0.0000185900000000, 0.0001104000000000, 0.0005079800000000 ] - [ -0.0000188300000000, 0.0001358900000000, 0.0005756400000000 ] - [ -0.0000934800000000, 0.0002488900000000, 0.0004322400000000 ] - [ 0.0000450600000000, 0.0001145900000000, 0.0005370000000000 ] - [ -0.0000239200000000, 0.0001704600000000, 0.0004716000000000 ] - [ -0.0000524500000000, 0.0001689800000000, 0.0004362500000000 ] - [ -0.0000956500000000, -0.0002206100000000, 0.0004021700000000 ] - [ -0.0004080900000000, -0.0008269500000000, -0.0048895700000000 ] - [ -0.0000243800000000, -0.0001573000000000, 0.0004680300000000 ] - [ -0.0000253500000000, -0.0002177900000000, 0.0003938100000000 ] - [ -0.0004008900000000, -0.0005905100000000, 0.0001077700000000 ] - [ -0.0002579800000000, -0.0003340000000000, 0.0001556400000000 ]- atom: 25 displacement: [ 0.0021219046125690, 0.0000000000000000, -0.0097722832958914 ] forces: - [ -0.0009133700000000, 0.0015567900000000, -0.0018207800000000 ] - [ 0.0007016300000000, 0.0008437800000000, 0.0006875700000000 ] - [ 0.0003599200000000, 0.0012426900000000, 0.0005288300000000 ] - [ 0.0004178400000000, 0.0008043700000000, 0.0004844400000000 ] - [ 0.0003745300000000, 0.0008827700000000, 0.0003147000000000 ] - [ 0.0003604400000000, 0.0008864000000000, 0.0002698300000000 ] - [ 0.0030936300000000, -0.0015587800000000, 0.0000581600000000 ] - [ 0.0001630900000000, -0.0008300000000000, 0.0000126900000000 ] - [ 0.0003474800000000, -0.0011217500000000, 0.0002909000000000 ] - [ 0.0003496600000000, -0.0007481500000000, 0.0002188400000000 ] - [ 0.0007093900000000, -0.0001975300000000, -0.0008078000000000 ] - [ 0.0003121400000000, -0.0008541700000000, 0.0002868600000000 ] - [ 0.0007834900000000, 0.0007112000000000, 0.0003768700000000 ] - [ 0.0011251000000000, 0.0006262000000000, -0.0001417900000000 ] - [ 0.0011502000000000, 0.0007653400000000, 0.0001441200000000 ] - [ 0.0010375400000000, 0.0008301300000000, -0.0000202200000000 ] - [ 0.0009218800000000, 0.0008182300000000, -0.0002903600000000 ] - [ 0.0010845100000000, 0.0007914400000000, -0.0000975600000000 ] - [ 0.0291248600000000, 0.0293885200000000, -0.0462719700000000 ] - [ -0.0002125600000000, 0.0000186100000000, -0.0000451100000000 ] - [ 0.0011295600000000, -0.0009915200000000, -0.0003256500000000 ] - [ 0.0010490300000000, -0.0007529300000000, -0.0001962200000000 ] - [ 0.0012702600000000, -0.0017187500000000, -0.0004488000000000 ] - [ 0.0010263400000000, -0.0006785500000000, 0.0000285100000000 ] - [ -0.0351269600000000, -0.0316965200000000, 0.0508102800000000 ] - [ -0.0002602500000000, 0.0003903600000000, -0.0007727900000000 ] - [ -0.0003830400000000, 0.0003662800000000, -0.0006735100000000 ] - [ -0.0003892800000000, 0.0003477900000000, -0.0006716600000000 ] - [ -0.0004194400000000, 0.0003787500000000, -0.0006807300000000 ] - [ -0.0004176100000000, 0.0003083900000000, -0.0006774700000000 ] - [ -0.0002761700000000, -0.0004059800000000, -0.0007775600000000 ] - [ -0.0004742400000000, -0.0002656400000000, -0.0006280300000000 ] - [ -0.0003849100000000, -0.0003674700000000, -0.0007223400000000 ] - [ -0.0004161900000000, -0.0003395000000000, -0.0006952300000000 ] - [ -0.0003918700000000, -0.0003432100000000, -0.0006770300000000 ] - [ -0.0004032100000000, -0.0003450800000000, -0.0006836300000000 ] - [ 0.0001527600000000, -0.0001041200000000, -0.0000278500000000 ] - [ 0.0001879300000000, 0.0027005400000000, -0.0023843900000000 ] - [ 0.0000946900000000, -0.0000661700000000, -0.0001014200000000 ] - [ 0.0000697600000000, 0.0000223300000000, -0.0001192900000000 ] - [ 0.0001208800000000, 0.0000229300000000, -0.0001831900000000 ] - [ 0.0000103000000000, -0.0000555100000000, -0.0000139800000000 ] - [ -0.0001953100000000, -0.0000197000000000, -0.0001673300000000 ] - [ 0.0007272900000000, 0.0004821700000000, -0.0008609400000000 ] - [ 0.0000530100000000, -0.0000103400000000, -0.0001932500000000 ] - [ 0.0000694600000000, -0.0000570000000000, -0.0002154600000000 ] - [ 0.0000736200000000, 0.0000228700000000, -0.0001219100000000 ] - [ 0.0000921800000000, 0.0000184300000000, -0.0001297600000000 ] - [ -0.0007877700000000, 0.0003128700000000, -0.0005245600000000 ] - [ 0.0009071000000000, -0.0012570600000000, -0.0001588900000000 ] - [ 0.0005030800000000, -0.0009278300000000, -0.0002999300000000 ] - [ 0.0004888100000000, -0.0010076600000000, -0.0002603000000000 ] - [ -0.0001292000000000, -0.0011654800000000, 0.0001948300000000 ] - [ 0.0004745700000000, -0.0009238300000000, -0.0003009800000000 ] - [ 0.0006281500000000, 0.0010669800000000, -0.0000766700000000 ] - [ 0.0004645400000000, 0.0009989500000000, -0.0002923900000000 ] - [ 0.0005119800000000, 0.0008799300000000, -0.0004034800000000 ] - [ 0.0005046500000000, 0.0009628600000000, -0.0003581600000000 ] - [ 0.0005154400000000, 0.0009821100000000, -0.0002909500000000 ] - [ 0.0005114300000000, 0.0009860200000000, -0.0002971800000000 ] - [ -0.0008793000000000, 0.0003074400000000, 0.0001265700000000 ] - [ -0.0003281500000000, 0.0003290300000000, 0.0003816800000000 ] - [ -0.0004824000000000, 0.0003792700000000, 0.0003824000000000 ] - [ -0.0004890600000000, 0.0002628900000000, 0.0003430300000000 ] - [ -0.0004878400000000, 0.0002588700000000, 0.0005800900000000 ] - [ -0.0005091900000000, 0.0003351100000000, 0.0003617100000000 ] - [ -0.0005808000000000, -0.0012379100000000, -0.0003083600000000 ] - [ -0.0005168400000000, -0.0002511600000000, 0.0000984900000000 ] - [ -0.0005411200000000, -0.0003876400000000, 0.0002962600000000 ] - [ -0.0006175300000000, -0.0002741300000000, 0.0000676800000000 ] - [ -0.0004587600000000, -0.0002656300000000, 0.0002952700000000 ] - [ -0.0004960100000000, -0.0003173300000000, 0.0003885800000000 ] - [ 0.0001127600000000, -0.0005990700000000, -0.0022228800000000 ] - [ 0.0002803700000000, -0.0002067200000000, 0.0005149500000000 ] - [ -0.0001614100000000, 0.0000871100000000, 0.0005904900000000 ] - [ 0.0001050800000000, -0.0002291000000000, 0.0005011800000000 ] - [ 0.0001161300000000, -0.0000485700000000, 0.0004926400000000 ] - [ -0.0000015000000000, -0.0004169400000000, 0.0003399100000000 ] - [ 0.0002726700000000, -0.0000784900000000, -0.0003437300000000 ] - [ 0.0000719700000000, 0.0002438200000000, 0.0004174300000000 ] - [ 0.0000619300000000, 0.0002474600000000, 0.0004304400000000 ] - [ 0.0000635100000000, 0.0002447700000000, 0.0004348300000000 ] - [ 0.0002393900000000, -0.0000898300000000, 0.0007071600000000 ] - [ 0.0000327000000000, 0.0002687900000000, 0.0004021600000000 ] - [ -0.0011762100000000, -0.0013385600000000, -0.0003263000000000 ] - [ -0.0010503100000000, -0.0012765700000000, -0.0003641400000000 ] - [ -0.0011387600000000, -0.0013526000000000, -0.0003572700000000 ] - [ -0.0011520600000000, -0.0013464800000000, -0.0003722700000000 ] - [ -0.0011559800000000, -0.0013650500000000, -0.0003660600000000 ] - [ -0.0010988300000000, -0.0013492800000000, -0.0003296300000000 ] - [ -0.0008967500000000, 0.0006410400000000, -0.0008598300000000 ] - [ 0.0045522200000000, -0.0009164100000000, -0.0014715200000000 ] - [ -0.0011250500000000, 0.0013513900000000, -0.0003611600000000 ] - [ -0.0012723300000000, 0.0014266600000000, -0.0003836300000000 ] - [ -0.0010695800000000, 0.0012840000000000, -0.0003715300000000 ] - [ -0.0013967000000000, 0.0016618100000000, -0.0002949600000000 ] - [ -0.0000717300000000, 0.0002234400000000, 0.0004348800000000 ] - [ -0.0000341600000000, 0.0001978300000000, 0.0003674500000000 ] - [ 0.0000424300000000, 0.0000835900000000, 0.0005110500000000 ] - [ -0.0000989600000000, 0.0002194500000000, 0.0004051200000000 ] - [ -0.0000289400000000, 0.0001627800000000, 0.0004707900000000 ] - [ -0.0000007600000000, 0.0001637200000000, 0.0005067400000000 ] - [ 0.0000437000000000, -0.0001115800000000, 0.0005403200000000 ] - [ 0.0003530400000000, 0.0004991100000000, 0.0058895300000000 ] - [ -0.0000291800000000, -0.0001760900000000, 0.0004746900000000 ] - [ -0.0000274000000000, -0.0001155800000000, 0.0005499100000000 ] - [ 0.0003465200000000, 0.0002587600000000, 0.0008413800000000 ] - [ 0.0002064400000000, 0.0000057600000000, 0.0007895100000000 ]- atom: 37 displacement: [ 0.0099976998849244, 0.0000000000000000, 0.0002144691376016 ] forces: - [ 0.0003370800000000, 0.0009727500000000, 0.0001569500000000 ] - [ 0.0003235300000000, 0.0009179900000000, 0.0002633200000000 ] - [ 0.0001727600000000, 0.0008104100000000, 0.0000180100000000 ] - [ 0.0005199500000000, 0.0007084000000000, 0.0003342700000000 ] - [ 0.0003752400000000, 0.0010930800000000, 0.0002935500000000 ] - [ 0.0003724200000000, 0.0008680800000000, 0.0002377100000000 ] - [ -0.0004065800000000, -0.0009292500000000, 0.0003159800000000 ] - [ 0.0674556000000000, -0.0258493500000000, 0.0027080000000000 ] - [ 0.0003488900000000, -0.0008014200000000, 0.0002862900000000 ] - [ 0.0004337600000000, -0.0006157900000000, 0.0003826400000000 ] - [ 0.0003448900000000, -0.0007158700000000, 0.0002908700000000 ] - [ 0.0004794500000000, -0.0007420800000000, 0.0002933600000000 ] - [ 0.0007721800000000, 0.0004348900000000, -0.0002073700000000 ] - [ 0.0005934900000000, 0.0010461800000000, 0.0003364200000000 ] - [ 0.0008783800000000, 0.0007997900000000, -0.0005236300000000 ] - [ 0.0014446900000000, 0.0003626000000000, 0.0001253400000000 ] - [ 0.0010514700000000, 0.0008901600000000, -0.0001363400000000 ] - [ 0.0010461500000000, 0.0008442200000000, -0.0001239500000000 ] - [ -0.0002024700000000, -0.0004267600000000, -0.0004145300000000 ] - [ 0.0105512900000000, 0.0024169200000000, -0.0061282700000000 ] - [ 0.0006485000000000, -0.0006761400000000, -0.0001710700000000 ] - [ 0.0030281400000000, -0.0008959700000000, 0.0007413600000000 ] - [ 0.0010059300000000, -0.0006615000000000, -0.0001371800000000 ] - [ 0.0010757600000000, -0.0005824300000000, -0.0000738000000000 ] - [ -0.0003557300000000, 0.0004155600000000, -0.0007375800000000 ] - [ -0.0008253700000000, 0.0003902000000000, -0.0008289200000000 ] - [ -0.0004003800000000, 0.0003224800000000, -0.0007122800000000 ] - [ -0.0005007400000000, 0.0003101100000000, -0.0006290200000000 ] - [ -0.0003939400000000, 0.0003244900000000, -0.0006844200000000 ] - [ -0.0004272600000000, 0.0003049600000000, -0.0006740600000000 ] - [ -0.0007133700000000, -0.0000442800000000, -0.0004563900000000 ] - [ 0.0006878300000000, -0.0009154400000000, -0.0010801700000000 ] - [ -0.0003777000000000, -0.0003866100000000, -0.0006348700000000 ] - [ -0.0004251500000000, -0.0002612800000000, -0.0006682400000000 ] - [ -0.0004235600000000, -0.0003366800000000, -0.0006783700000000 ] - [ -0.0004083300000000, -0.0003328900000000, -0.0006854900000000 ] - [ -0.0898884000000000, 0.0236487100000000, 0.0019071500000000 ] - [ 0.0002982000000000, -0.0000667400000000, -0.0001771000000000 ] - [ 0.0000310900000000, -0.0000596000000000, -0.0001452700000000 ] - [ 0.0001064400000000, -0.0000064400000000, -0.0001326000000000 ] - [ 0.0000227600000000, -0.0000585000000000, -0.0001051900000000 ] - [ 0.0001060800000000, -0.0000634500000000, -0.0000997700000000 ] - [ 0.0000647000000000, 0.0000425500000000, -0.0000933000000000 ] - [ 0.0001144000000000, -0.0000241500000000, -0.0001428800000000 ] - [ 0.0000087400000000, 0.0000348100000000, -0.0001298800000000 ] - [ 0.0001661500000000, 0.0001000600000000, -0.0000185400000000 ] - [ 0.0000644900000000, 0.0000065100000000, -0.0001263200000000 ] - [ 0.0000739000000000, -0.0000395500000000, -0.0001354200000000 ] - [ 0.0023402000000000, -0.0015879900000000, 0.0003716700000000 ] - [ 0.0060600400000000, 0.0001354200000000, -0.0048646200000000 ] - [ 0.0005848400000000, -0.0010565700000000, -0.0002680100000000 ] - [ 0.0003475700000000, -0.0009630200000000, -0.0003771300000000 ] - [ 0.0005370800000000, -0.0010263300000000, -0.0002616800000000 ] - [ 0.0005354000000000, -0.0010063900000000, -0.0002866100000000 ] - [ 0.0005507500000000, 0.0010337500000000, -0.0002176600000000 ] - [ 0.0005183300000000, 0.0009521400000000, -0.0003079900000000 ] - [ 0.0005977100000000, 0.0010895200000000, -0.0001717200000000 ] - [ 0.0004477000000000, 0.0010082800000000, -0.0002957000000000 ] - [ 0.0005071200000000, 0.0009429000000000, -0.0002883900000000 ] - [ 0.0004901400000000, 0.0009761200000000, -0.0002726600000000 ] - [ 0.0009042600000000, 0.0002112100000000, -0.0002493700000000 ] - [ 0.0054418600000000, -0.0003574600000000, 0.0047784300000000 ] - [ -0.0004373900000000, 0.0002644600000000, 0.0003004400000000 ] - [ -0.0005052000000000, 0.0001560000000000, 0.0003974100000000 ] - [ -0.0004683900000000, 0.0002814900000000, 0.0003137700000000 ] - [ -0.0005115400000000, 0.0002970700000000, 0.0003057400000000 ] - [ -0.0004573800000000, -0.0003510400000000, 0.0003640300000000 ] - [ -0.0005238600000000, -0.0003754100000000, 0.0003795700000000 ] - [ -0.0003470200000000, -0.0002989800000000, 0.0004711200000000 ] - [ -0.0005001200000000, -0.0002658900000000, 0.0003032300000000 ] - [ -0.0005146000000000, -0.0004294500000000, 0.0003686800000000 ] - [ -0.0005069900000000, -0.0003313100000000, 0.0003585400000000 ] - [ 0.0000779100000000, -0.0002606800000000, 0.0005205300000000 ] - [ 0.0002087300000000, 0.0000280200000000, 0.0003296800000000 ] - [ 0.0002136100000000, -0.0001259600000000, 0.0005206300000000 ] - [ 0.0017571300000000, -0.0028714500000000, 0.0001988600000000 ] - [ 0.0000785900000000, -0.0002975900000000, 0.0004465400000000 ] - [ 0.0000640300000000, -0.0003312600000000, 0.0004221500000000 ] - [ 0.0001172800000000, 0.0002834500000000, 0.0005029900000000 ] - [ 0.0000489900000000, 0.0003369700000000, 0.0003911100000000 ] - [ 0.0001712000000000, -0.0000361300000000, 0.0006280800000000 ] - [ 0.0000498300000000, 0.0002957300000000, 0.0004270000000000 ] - [ 0.0000987800000000, 0.0001520000000000, 0.0005103400000000 ] - [ 0.0000878100000000, 0.0002020700000000, 0.0004748200000000 ] - [ -0.0011694900000000, -0.0013532300000000, -0.0003464800000000 ] - [ -0.0008600700000000, -0.0011152000000000, -0.0002554100000000 ] - [ -0.0011524000000000, -0.0012662200000000, -0.0003780500000000 ] - [ -0.0011583400000000, -0.0013930700000000, -0.0003151900000000 ] - [ -0.0011648400000000, -0.0013658800000000, -0.0003445300000000 ] - [ -0.0011679100000000, -0.0013732500000000, -0.0003468200000000 ] - [ -0.0024908000000000, 0.0009983100000000, 0.0007694700000000 ] - [ -0.0006467700000000, 0.0010246100000000, -0.0003478000000000 ] - [ -0.0024952000000000, 0.0019184100000000, -0.0004603800000000 ] - [ -0.0010667400000000, 0.0012978400000000, -0.0003126700000000 ] - [ -0.0011037200000000, 0.0013119300000000, -0.0003463400000000 ] - [ -0.0011189000000000, 0.0013217500000000, -0.0003420500000000 ] - [ -0.0000824700000000, 0.0002324800000000, 0.0004136900000000 ] - [ 0.0000053700000000, 0.0001522300000000, 0.0004782600000000 ] - [ -0.0002948200000000, 0.0002935500000000, 0.0003945200000000 ] - [ -0.0004991300000000, 0.0008383900000000, 0.0002775700000000 ] - [ -0.0000363100000000, 0.0001683200000000, 0.0004611100000000 ] - [ -0.0000823100000000, 0.0001883500000000, 0.0004568200000000 ] - [ -0.0007395300000000, -0.0006569900000000, 0.0009046700000000 ] - [ 0.0003683900000000, 0.0000039900000000, 0.0006147800000000 ] - [ -0.0002911800000000, 0.0000435700000000, 0.0004409800000000 ] - [ 0.0000110500000000, -0.0001460400000000, 0.0004906500000000 ] - [ -0.0000578400000000, -0.0002114700000000, 0.0004039900000000 ] - [ -0.0000257800000000, -0.0001598300000000, 0.0004663800000000 ]- atom: 37 displacement: [ -0.0099976998849244, 0.0000000000000000, -0.0002144691376016 ] forces: - [ 0.0003875600000000, 0.0007706700000000, 0.0003905800000000 ] - [ 0.0003999800000000, 0.0008228400000000, 0.0002842300000000 ] - [ 0.0005477100000000, 0.0009349500000000, 0.0005259400000000 ] - [ 0.0002042900000000, 0.0010354900000000, 0.0002109800000000 ] - [ 0.0003472000000000, 0.0006470100000000, 0.0002511300000000 ] - [ 0.0003498600000000, 0.0008773200000000, 0.0003065500000000 ] - [ 0.0011247200000000, -0.0008147200000000, 0.0002249900000000 ] - [ -0.0696980400000000, 0.0255444200000000, -0.0023306600000000 ] - [ 0.0003731800000000, -0.0009527600000000, 0.0002576600000000 ] - [ 0.0002944400000000, -0.0011258400000000, 0.0001624500000000 ] - [ 0.0003813900000000, -0.0010262500000000, 0.0002544600000000 ] - [ 0.0002445300000000, -0.0010141900000000, 0.0002498300000000 ] - [ 0.0013007400000000, 0.0011121500000000, -0.0000308000000000 ] - [ 0.0014831700000000, 0.0004981600000000, -0.0005765800000000 ] - [ 0.0011899100000000, 0.0007476600000000, 0.0002836400000000 ] - [ 0.0006264000000000, 0.0011810300000000, -0.0003632500000000 ] - [ 0.0010163100000000, 0.0006544900000000, -0.0001050900000000 ] - [ 0.0010231600000000, 0.0007001400000000, -0.0001161100000000 ] - [ 0.0022535400000000, -0.0010949100000000, 0.0001736600000000 ] - [ -0.0084611300000000, -0.0040265100000000, 0.0059898700000000 ] - [ 0.0014200800000000, -0.0008718200000000, -0.0000702300000000 ] - [ -0.0009550200000000, -0.0006464600000000, -0.0009770900000000 ] - [ 0.0010634300000000, -0.0008842000000000, -0.0001024500000000 ] - [ 0.0009937100000000, -0.0009656600000000, -0.0001675300000000 ] - [ -0.0004662800000000, 0.0002429400000000, -0.0006301900000000 ] - [ -0.0000027300000000, 0.0002740500000000, -0.0005511100000000 ] - [ -0.0004187100000000, 0.0003373400000000, -0.0006566500000000 ] - [ -0.0003222200000000, 0.0003484100000000, -0.0007381300000000 ] - [ -0.0004277400000000, 0.0003343100000000, -0.0006827500000000 ] - [ -0.0003943500000000, 0.0003540500000000, -0.0006931700000000 ] - [ -0.0001145000000000, -0.0006087500000000, -0.0009068800000000 ] - [ -0.0015157900000000, 0.0002609000000000, -0.0002853500000000 ] - [ -0.0004431400000000, -0.0002719500000000, -0.0007330500000000 ] - [ -0.0003972600000000, -0.0003972600000000, -0.0006990100000000 ] - [ -0.0003985000000000, -0.0003224700000000, -0.0006892800000000 ] - [ -0.0004125200000000, -0.0003262800000000, -0.0006815700000000 ] - [ 0.0932064600000000, -0.0250545300000000, -0.0020704800000000 ] - [ -0.0001390000000000, 0.0000403400000000, -0.0000640800000000 ] - [ 0.0001369800000000, 0.0000295800000000, -0.0000961900000000 ] - [ 0.0000338300000000, -0.0000121600000000, -0.0001110500000000 ] - [ 0.0001252900000000, 0.0000373900000000, -0.0001374500000000 ] - [ 0.0000605300000000, 0.0000332000000000, -0.0001413600000000 ] - [ 0.0001025100000000, -0.0000109700000000, -0.0001492700000000 ] - [ 0.0000597700000000, 0.0000545300000000, -0.0001002800000000 ] - [ 0.0001506500000000, -0.0000080300000000, -0.0001121300000000 ] - [ -0.0000239200000000, -0.0000792200000000, -0.0002250900000000 ] - [ 0.0000795300000000, 0.0000155200000000, -0.0001165500000000 ] - [ 0.0000798100000000, 0.0000654000000000, -0.0001063700000000 ] - [ -0.0012578200000000, -0.0004065700000000, -0.0008991200000000 ] - [ -0.0051536300000000, -0.0021247100000000, 0.0044196200000000 ] - [ 0.0004533200000000, -0.0009147000000000, -0.0003002000000000 ] - [ 0.0006783200000000, -0.0010187500000000, -0.0001674600000000 ] - [ 0.0004905800000000, -0.0009553900000000, -0.0002830500000000 ] - [ 0.0004996400000000, -0.0009671800000000, -0.0002747300000000 ] - [ 0.0004724000000000, 0.0009484100000000, -0.0003230000000000 ] - [ 0.0005078200000000, 0.0010295100000000, -0.0002388500000000 ] - [ 0.0004402100000000, 0.0008831800000000, -0.0003944600000000 ] - [ 0.0005834300000000, 0.0009700300000000, -0.0002553600000000 ] - [ 0.0005263200000000, 0.0010353400000000, -0.0002673200000000 ] - [ 0.0005468100000000, 0.0009981900000000, -0.0002906200000000 ] - [ -0.0018464300000000, 0.0004285900000000, 0.0009169200000000 ] - [ -0.0065227500000000, 0.0010054800000000, -0.0041844500000000 ] - [ -0.0005349600000000, 0.0003874200000000, 0.0004058400000000 ] - [ -0.0004788300000000, 0.0004832100000000, 0.0002829600000000 ] - [ -0.0005152800000000, 0.0003592100000000, 0.0003667000000000 ] - [ -0.0004629300000000, 0.0003512800000000, 0.0003947000000000 ] - [ -0.0005301900000000, -0.0002888300000000, 0.0003112500000000 ] - [ -0.0004519300000000, -0.0002556800000000, 0.0002938000000000 ] - [ -0.0006280600000000, -0.0003525500000000, 0.0002300900000000 ] - [ -0.0004781800000000, -0.0003773300000000, 0.0003853100000000 ] - [ -0.0004627300000000, -0.0002146600000000, 0.0003242800000000 ] - [ -0.0004653800000000, -0.0003168700000000, 0.0003436200000000 ] - [ 0.0000803800000000, -0.0002143800000000, 0.0004043300000000 ] - [ -0.0000520100000000, -0.0005230100000000, 0.0005957500000000 ] - [ -0.0000525300000000, -0.0003525700000000, 0.0004047300000000 ] - [ -0.0016125700000000, 0.0024257900000000, 0.0007227200000000 ] - [ 0.0000831600000000, -0.0002047500000000, 0.0004790900000000 ] - [ 0.0000960000000000, -0.0001386900000000, 0.0005026800000000 ] - [ 0.0000416300000000, 0.0002155300000000, 0.0004221300000000 ] - [ 0.0001106900000000, 0.0001429400000000, 0.0005355200000000 ] - [ -0.0000122900000000, 0.0005244300000000, 0.0002969300000000 ] - [ 0.0001102900000000, 0.0002035700000000, 0.0004986700000000 ] - [ 0.0000587700000000, 0.0003116000000000, 0.0004142300000000 ] - [ 0.0000698900000000, 0.0002711500000000, 0.0004490200000000 ] - [ -0.0011146700000000, -0.0013410200000000, -0.0003397400000000 ] - [ -0.0014245900000000, -0.0015786200000000, -0.0004307500000000 ] - [ -0.0011304800000000, -0.0014257500000000, -0.0003093200000000 ] - [ -0.0011249400000000, -0.0012992700000000, -0.0003709600000000 ] - [ -0.0011179000000000, -0.0013268600000000, -0.0003414200000000 ] - [ -0.0011148700000000, -0.0013195700000000, -0.0003401900000000 ] - [ 0.0002028100000000, 0.0016854400000000, -0.0014479000000000 ] - [ -0.0016248100000000, 0.0016577700000000, -0.0003383100000000 ] - [ 0.0002034900000000, 0.0007624000000000, -0.0002365800000000 ] - [ -0.0012178900000000, 0.0013957500000000, -0.0003726000000000 ] - [ -0.0011803500000000, 0.0013817100000000, -0.0003401500000000 ] - [ -0.0011646000000000, 0.0013709400000000, -0.0003452000000000 ] - [ 0.0000229700000000, 0.0000910900000000, 0.0005152300000000 ] - [ -0.0000657000000000, 0.0001729800000000, 0.0004497900000000 ] - [ 0.0002330400000000, 0.0000304300000000, 0.0005362100000000 ] - [ 0.0004432600000000, -0.0005236200000000, 0.0006543700000000 ] - [ -0.0000235300000000, 0.0001554100000000, 0.0004686500000000 ] - [ 0.0000224800000000, 0.0001342400000000, 0.0004732900000000 ] - [ 0.0006782900000000, 0.0003367700000000, 0.0000150400000000 ] - [ -0.0004265100000000, -0.0003288400000000, 0.0003141900000000 ] - [ 0.0002300100000000, -0.0003650000000000, 0.0004893700000000 ] - [ -0.0000707700000000, -0.0001783600000000, 0.0004385400000000 ] - [ -0.0000005500000000, -0.0001104200000000, 0.0005259000000000 ] - [ -0.0000352100000000, -0.0001651600000000, 0.0004615400000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003537300000000, 0.0006374800000000, 0.0004411300000000 ] - [ 0.0007619400000000, 0.0004364700000000, 0.0011961600000000 ] - [ 0.0004865500000000, 0.0009433500000000, 0.0005623400000000 ] - [ 0.0003026000000000, 0.0013286900000000, 0.0003461200000000 ] - [ 0.0002836700000000, 0.0008626900000000, 0.0000862400000000 ] - [ 0.0003658900000000, 0.0006850000000000, 0.0002580800000000 ] - [ 0.0006947900000000, -0.0005600300000000, -0.0000992800000000 ] - [ -0.0198599000000000, 0.0121832100000000, -0.0014775300000000 ] - [ 0.0004124300000000, -0.0011637500000000, 0.0003957100000000 ] - [ 0.0003526600000000, -0.0016141100000000, 0.0004275500000000 ] - [ 0.0003733700000000, -0.0009193000000000, 0.0001938400000000 ] - [ 0.0006426700000000, -0.0017093300000000, 0.0000322200000000 ] - [ 0.0011547400000000, 0.0010509900000000, -0.0000071400000000 ] - [ 0.0011913500000000, 0.0010354300000000, 0.0002698800000000 ] - [ 0.0011690800000000, 0.0007825300000000, 0.0000941000000000 ] - [ 0.0010339100000000, 0.0008056900000000, 0.0003216100000000 ] - [ 0.0009518500000000, 0.0005280300000000, -0.0001084500000000 ] - [ 0.0010686700000000, 0.0004532000000000, -0.0000311300000000 ] - [ 0.0011949700000000, -0.0004680100000000, -0.0002183700000000 ] - [ 0.0024960200000000, 0.0003171000000000, 0.0014128700000000 ] - [ 0.0012931700000000, -0.0010078400000000, -0.0000930900000000 ] - [ 0.0010849700000000, -0.0020105200000000, -0.0014689000000000 ] - [ 0.0010743000000000, -0.0010815200000000, -0.0001842900000000 ] - [ 0.0011378400000000, -0.0014554400000000, -0.0002560500000000 ] - [ -0.0004441100000000, 0.0002452900000000, -0.0006112400000000 ] - [ -0.0002433400000000, 0.0018475400000000, -0.0033821700000000 ] - [ -0.0003633600000000, 0.0004127400000000, -0.0007236900000000 ] - [ -0.0002975600000000, 0.0004297900000000, -0.0006270800000000 ] - [ -0.0004659300000000, 0.0003370300000000, -0.0006544900000000 ] - [ -0.0003998900000000, 0.0003998900000000, -0.0007262000000000 ] - [ -0.0003937500000000, -0.0003817600000000, -0.0007248600000000 ] - [ -0.0006610800000000, 0.0000344000000000, -0.0002663200000000 ] - [ -0.0003992300000000, -0.0003450000000000, -0.0007190300000000 ] - [ -0.0003527000000000, -0.0004507700000000, -0.0007547000000000 ] - [ -0.0004014800000000, -0.0003088100000000, -0.0006824000000000 ] - [ -0.0003800600000000, -0.0003253500000000, -0.0006850200000000 ] - [ 0.0245282500000000, -0.0220109000000000, 0.0029386200000000 ] - [ 0.0000093300000000, -0.0001053300000000, 0.0000185500000000 ] - [ 0.0000273000000000, 0.0001465500000000, -0.0001503400000000 ] - [ 0.0000134500000000, 0.0000182200000000, -0.0001197000000000 ] - [ 0.0000258000000000, 0.0001488200000000, -0.0001494700000000 ] - [ 0.0000780700000000, 0.0000149900000000, -0.0001359000000000 ] - [ 0.0000542800000000, -0.0000624700000000, -0.0004342100000000 ] - [ 0.0001049300000000, 0.0000094600000000, -0.0001764300000000 ] - [ 0.0000503800000000, -0.0001218800000000, -0.0002204600000000 ] - [ -0.0000274000000000, -0.0000644700000000, -0.0002136500000000 ] - [ 0.0000714200000000, 0.0001017700000000, -0.0000681000000000 ] - [ 0.0001173100000000, 0.0000611600000000, -0.0000608800000000 ] - [ 0.0002196600000000, -0.0010425800000000, -0.0002159300000000 ] - [ -0.0004975100000000, -0.0025576200000000, 0.0005390600000000 ] - [ 0.0004794400000000, -0.0008956300000000, -0.0003619700000000 ] - [ 0.0004781800000000, -0.0006464400000000, -0.0003169200000000 ] - [ 0.0004698800000000, -0.0009512500000000, -0.0002693000000000 ] - [ 0.0004043200000000, -0.0006954400000000, -0.0003722600000000 ] - [ 0.0005113900000000, 0.0009613200000000, -0.0003588100000000 ] - [ 0.0004827000000000, 0.0008842800000000, -0.0005290200000000 ] - [ 0.0004801700000000, 0.0009028200000000, -0.0004093700000000 ] - [ 0.0005401000000000, 0.0008528700000000, -0.0003782700000000 ] - [ 0.0005567000000000, 0.0010400800000000, -0.0002378000000000 ] - [ 0.0005634200000000, 0.0010664000000000, -0.0002581900000000 ] - [ -0.0004608100000000, 0.0002470600000000, 0.0005256800000000 ] - [ -0.0013247200000000, -0.0008753200000000, 0.0000220100000000 ] - [ -0.0005284400000000, 0.0004031600000000, 0.0003250200000000 ] - [ -0.0005753600000000, 0.0006318300000000, 0.0001666900000000 ] - [ -0.0005117700000000, 0.0003599200000000, 0.0004069200000000 ] - [ -0.0004463900000000, 0.0005229600000000, 0.0005985900000000 ] - [ -0.0005061700000000, -0.0002509500000000, 0.0003036400000000 ] - [ 0.0005063700000000, 0.0007793800000000, -0.0006230100000000 ] - [ -0.0008508000000000, -0.0005429300000000, 0.0000195100000000 ] - [ -0.0006024400000000, -0.0005038000000000, 0.0003888900000000 ] - [ -0.0001879800000000, -0.0001211500000000, 0.0005578300000000 ] - [ -0.0004340600000000, -0.0002311900000000, 0.0003435900000000 ] - [ 0.0000263300000000, -0.0002525700000000, 0.0005015800000000 ] - [ 0.0002667700000000, 0.0009698100000000, 0.0004605200000000 ] - [ 0.0000572600000000, -0.0004091200000000, 0.0004814100000000 ] - [ -0.0041685300000000, 0.0051789600000000, 0.0009943600000000 ] - [ 0.0001182000000000, -0.0000043200000000, 0.0005502800000000 ] - [ 0.0001102100000000, 0.0001129500000000, 0.0005331700000000 ] - [ 0.0000650100000000, 0.0001668900000000, 0.0004372400000000 ] - [ 0.0000846900000000, 0.0000359400000000, 0.0004645500000000 ] - [ 0.0000776600000000, 0.0002997800000000, 0.0004605600000000 ] - [ 0.0000678600000000, 0.0003566000000000, 0.0004390300000000 ] - [ 0.0000563700000000, 0.0004305100000000, 0.0003773300000000 ] - [ 0.0000047600000000, 0.0005480800000000, 0.0002871900000000 ] - [ -0.0012027600000000, -0.0014172700000000, -0.0003707200000000 ] - [ -0.0012758100000000, -0.0014424100000000, -0.0003832700000000 ] - [ -0.0010978800000000, -0.0013135600000000, -0.0003888300000000 ] - [ -0.0011721200000000, -0.0013854800000000, -0.0003529600000000 ] - [ -0.0010834500000000, -0.0012947400000000, -0.0003498100000000 ] - [ -0.0010666100000000, -0.0012770300000000, -0.0003343300000000 ] - [ -0.0017026700000000, 0.0025072300000000, -0.0008450200000000 ] - [ -0.0011882900000000, 0.0012088800000000, -0.0004017800000000 ] - [ -0.0014288900000000, 0.0031469700000000, 0.0006053500000000 ] - [ -0.0011696700000000, 0.0015961900000000, -0.0004557900000000 ] - [ -0.0013364300000000, 0.0015107000000000, -0.0003306900000000 ] - [ -0.0012154500000000, 0.0014029900000000, -0.0003445300000000 ] - [ -0.0000203300000000, 0.0001440500000000, 0.0004146300000000 ] - [ -0.0000668200000000, 0.0001697700000000, 0.0004376000000000 ] - [ -0.0002147100000000, 0.0003754000000000, 0.0002692900000000 ] - [ 0.0000126800000000, 0.0001621300000000, 0.0004710200000000 ] - [ -0.0000385900000000, 0.0001881200000000, 0.0004197200000000 ] - [ 0.0001075800000000, 0.0000763200000000, 0.0005214900000000 ] - [ -0.0001862400000000, -0.0006179400000000, 0.0001113200000000 ] - [ -0.0000873700000000, -0.0001492900000000, 0.0004799200000000 ] - [ -0.0001460200000000, 0.0001432500000000, 0.0008863200000000 ] - [ -0.0000739200000000, -0.0001967900000000, 0.0004403400000000 ] - [ 0.0000529400000000, -0.0000426400000000, 0.0006064200000000 ] - [ -0.0002035900000000, -0.0003571200000000, 0.0002760400000000 ]- atom: 37 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003772900000000, 0.0010975200000000, 0.0001046400000000 ] - [ -0.0000335000000000, 0.0013042400000000, -0.0006582200000000 ] - [ 0.0002437100000000, 0.0007963000000000, -0.0000209800000000 ] - [ 0.0004338000000000, 0.0004031700000000, 0.0002004600000000 ] - [ 0.0004459600000000, 0.0008752900000000, 0.0004606400000000 ] - [ 0.0003661900000000, 0.0010504500000000, 0.0002886000000000 ] - [ 0.0000330800000000, -0.0011801500000000, 0.0006459300000000 ] - [ 0.0202573400000000, -0.0140106800000000, 0.0020023200000000 ] - [ 0.0003225800000000, -0.0005727100000000, 0.0001477800000000 ] - [ 0.0003797000000000, -0.0001182100000000, 0.0001218100000000 ] - [ 0.0003588900000000, -0.0008213500000000, 0.0003554500000000 ] - [ 0.0000849700000000, -0.0000254900000000, 0.0005149200000000 ] - [ 0.0009065500000000, 0.0004886700000000, -0.0002488100000000 ] - [ 0.0008747200000000, 0.0005046300000000, -0.0005302300000000 ] - [ 0.0008938900000000, 0.0007609300000000, -0.0003527400000000 ] - [ 0.0010308100000000, 0.0007379000000000, -0.0005769000000000 ] - [ 0.0011117700000000, 0.0010151400000000, -0.0001471700000000 ] - [ 0.0009944600000000, 0.0010904300000000, -0.0002248700000000 ] - [ 0.0008657900000000, -0.0010772100000000, -0.0000373300000000 ] - [ -0.0004509400000000, -0.0019147600000000, -0.0016208200000000 ] - [ 0.0007688400000000, -0.0005341500000000, -0.0001609400000000 ] - [ 0.0009836600000000, 0.0004680900000000, 0.0012131600000000 ] - [ 0.0009897000000000, -0.0004621200000000, -0.0000698600000000 ] - [ 0.0009246100000000, -0.0000851800000000, 0.0000025000000000 ] - [ -0.0003761900000000, 0.0004187000000000, -0.0007475300000000 ] - [ -0.0005974700000000, -0.0012038300000000, 0.0020590300000000 ] - [ -0.0004580100000000, 0.0002501200000000, -0.0006342600000000 ] - [ -0.0005231500000000, 0.0002332800000000, -0.0007300800000000 ] - [ -0.0003547400000000, 0.0003261900000000, -0.0007041300000000 ] - [ -0.0004206900000000, 0.0002630500000000, -0.0006316800000000 ] - [ -0.0004276700000000, -0.0002808300000000, -0.0006333900000000 ] - [ -0.0001587200000000, -0.0006988200000000, -0.0010972000000000 ] - [ -0.0004218800000000, -0.0003182100000000, -0.0006389600000000 ] - [ -0.0004684700000000, -0.0002130700000000, -0.0006037400000000 ] - [ -0.0004185900000000, -0.0003555200000000, -0.0006768000000000 ] - [ -0.0004414700000000, -0.0003382100000000, -0.0006737000000000 ] - [ -0.0240170700000000, 0.0220638500000000, -0.0032761000000000 ] - [ 0.0001488000000000, 0.0000655100000000, -0.0002586200000000 ] - [ 0.0001358400000000, -0.0001892900000000, -0.0000887900000000 ] - [ 0.0001313000000000, -0.0000536300000000, -0.0001208200000000 ] - [ 0.0001283000000000, -0.0001873000000000, -0.0000900400000000 ] - [ 0.0000792300000000, -0.0000546700000000, -0.0001033500000000 ] - [ 0.0001049300000000, 0.0001062100000000, 0.0001979100000000 ] - [ 0.0000481400000000, 0.0000300100000000, -0.0000636400000000 ] - [ 0.0001094900000000, 0.0001640200000000, -0.0000193800000000 ] - [ 0.0001707500000000, 0.0001004500000000, -0.0000262700000000 ] - [ 0.0000770400000000, -0.0000640900000000, -0.0001730700000000 ] - [ 0.0000413000000000, -0.0000192500000000, -0.0001790600000000 ] - [ 0.0008162100000000, -0.0009407700000000, -0.0003498700000000 ] - [ 0.0015651100000000, 0.0005746500000000, -0.0011301700000000 ] - [ 0.0005609100000000, -0.0010875100000000, -0.0002113800000000 ] - [ 0.0005532700000000, -0.0013423800000000, -0.0002411800000000 ] - [ 0.0005637000000000, -0.0010349700000000, -0.0002936000000000 ] - [ 0.0006311200000000, -0.0012926400000000, -0.0001913400000000 ] - [ 0.0005234900000000, 0.0010246800000000, -0.0002076000000000 ] - [ 0.0005509100000000, 0.0011047500000000, -0.0000303100000000 ] - [ 0.0005592800000000, 0.0010807400000000, -0.0001638800000000 ] - [ 0.0004906000000000, 0.0011355500000000, -0.0001804200000000 ] - [ 0.0004767000000000, 0.0009468800000000, -0.0003258200000000 ] - [ 0.0004729600000000, 0.0009180200000000, -0.0003121100000000 ] - [ -0.0005276800000000, 0.0003858300000000, 0.0001808400000000 ] - [ 0.0003710700000000, 0.0015009300000000, 0.0007101700000000 ] - [ -0.0004524200000000, 0.0002310900000000, 0.0003896300000000 ] - [ -0.0004143000000000, -0.0000042000000000, 0.0005325000000000 ] - [ -0.0004756100000000, 0.0002706300000000, 0.0002963400000000 ] - [ -0.0005398700000000, 0.0001063600000000, 0.0001044200000000 ] - [ -0.0004784700000000, -0.0003809900000000, 0.0004071700000000 ] - [ -0.0014999900000000, -0.0014158600000000, 0.0013311200000000 ] - [ -0.0001280500000000, -0.0000910500000000, 0.0006985900000000 ] - [ -0.0003858200000000, -0.0001246300000000, 0.0003115700000000 ] - [ -0.0007986700000000, -0.0005091700000000, 0.0001491100000000 ] - [ -0.0005499400000000, -0.0004016500000000, 0.0003684200000000 ] - [ 0.0001311200000000, -0.0002180000000000, 0.0004225700000000 ] - [ -0.0001227000000000, -0.0014739700000000, 0.0004657600000000 ] - [ 0.0001004700000000, -0.0000626600000000, 0.0004430900000000 ] - [ 0.0042802600000000, -0.0055869500000000, -0.0000722700000000 ] - [ 0.0000404100000000, -0.0004822300000000, 0.0003750700000000 ] - [ 0.0000467000000000, -0.0005790300000000, 0.0003909100000000 ] - [ 0.0000918900000000, 0.0003192600000000, 0.0004883800000000 ] - [ 0.0000717200000000, 0.0004326200000000, 0.0004605600000000 ] - [ 0.0000784800000000, 0.0001673000000000, 0.0004665200000000 ] - [ 0.0000894100000000, 0.0001236400000000, 0.0004861400000000 ] - [ 0.0001002600000000, 0.0000460600000000, 0.0005478500000000 ] - [ 0.0001515500000000, -0.0000807300000000, 0.0006385100000000 ] - [ -0.0010787700000000, -0.0012820300000000, -0.0003262000000000 ] - [ -0.0010021100000000, -0.0012552900000000, -0.0003128000000000 ] - [ -0.0011826900000000, -0.0013855600000000, -0.0003090100000000 ] - [ -0.0011087500000000, -0.0013137600000000, -0.0003438100000000 ] - [ -0.0011966900000000, -0.0014046000000000, -0.0003479600000000 ] - [ -0.0012143000000000, -0.0014229200000000, -0.0003633100000000 ] - [ -0.0005700400000000, 0.0001668800000000, 0.0001618800000000 ] - [ -0.0010912000000000, 0.0014909600000000, -0.0002938900000000 ] - [ -0.0008446600000000, -0.0004066000000000, -0.0012722900000000 ] - [ -0.0011094500000000, 0.0011032400000000, -0.0002413000000000 ] - [ -0.0009431400000000, 0.0011867900000000, -0.0003659600000000 ] - [ -0.0010650800000000, 0.0012958900000000, -0.0003523300000000 ] - [ -0.0000353600000000, 0.0001878200000000, 0.0005238500000000 ] - [ 0.0000127500000000, 0.0001608400000000, 0.0005001800000000 ] - [ 0.0001603300000000, -0.0000441600000000, 0.0006671400000000 ] - [ -0.0000707700000000, 0.0001740000000000, 0.0004652600000000 ] - [ -0.0000169300000000, 0.0001429800000000, 0.0005179500000000 ] - [ -0.0001628900000000, 0.0002555200000000, 0.0004167300000000 ] - [ 0.0001375100000000, 0.0002998100000000, 0.0008190800000000 ] - [ 0.0000353600000000, -0.0001806500000000, 0.0004583300000000 ] - [ 0.0000883600000000, -0.0004689300000000, 0.0000554100000000 ] - [ 0.0000190400000000, -0.0001340300000000, 0.0004973900000000 ] - [ -0.0001092300000000, -0.0002894800000000, 0.0003311200000000 ] - [ 0.0001497900000000, 0.0000282500000000, 0.0006635800000000 ]- atom: 37 displacement: [ -0.0021219046125690, 0.0000000000000000, 0.0097722832958914 ] forces: - [ 0.0003646800000000, 0.0009532600000000, 0.0000554000000000 ] - [ -0.0001476500000000, 0.0011914800000000, -0.0008304800000000 ] - [ 0.0002164800000000, 0.0008552900000000, -0.0001194400000000 ] - [ 0.0004125600000000, 0.0006255200000000, -0.0000580300000000 ] - [ 0.0003798000000000, 0.0010581200000000, 0.0002776700000000 ] - [ 0.0003617700000000, 0.0010292000000000, 0.0002416900000000 ] - [ 0.0007622400000000, -0.0009093500000000, -0.0000526800000000 ] - [ -0.0163342900000000, 0.0041198100000000, 0.0039808800000000 ] - [ 0.0003697300000000, -0.0006798200000000, 0.0003290100000000 ] - [ 0.0003688400000000, -0.0006384700000000, 0.0002671200000000 ] - [ 0.0003786100000000, -0.0008314000000000, 0.0004454500000000 ] - [ 0.0004441800000000, -0.0009126100000000, 0.0005156900000000 ] - [ 0.0007923800000000, 0.0004577800000000, -0.0003397500000000 ] - [ 0.0018281400000000, 0.0000549400000000, -0.0008204100000000 ] - [ 0.0009842300000000, 0.0007264400000000, -0.0003767500000000 ] - [ 0.0007974300000000, 0.0010887100000000, -0.0006771400000000 ] - [ 0.0010564100000000, 0.0008985200000000, -0.0001437800000000 ] - [ 0.0009861700000000, 0.0009265100000000, -0.0002429800000000 ] - [ 0.0018484600000000, -0.0015060800000000, 0.0002956800000000 ] - [ -0.0050867800000000, -0.0010725200000000, 0.0032302800000000 ] - [ 0.0011315800000000, -0.0006705700000000, -0.0000613700000000 ] - [ 0.0010149600000000, -0.0005269200000000, 0.0003644700000000 ] - [ 0.0010133200000000, -0.0006251200000000, -0.0000487600000000 ] - [ 0.0010284800000000, -0.0004760300000000, 0.0000323800000000 ] - [ -0.0003944900000000, 0.0003895000000000, -0.0007619500000000 ] - [ -0.0000669900000000, -0.0012333300000000, 0.0016584900000000 ] - [ -0.0004847400000000, 0.0002736300000000, -0.0006344100000000 ] - [ -0.0003552700000000, 0.0003385300000000, -0.0007962200000000 ] - [ -0.0003886900000000, 0.0003264400000000, -0.0007009900000000 ] - [ -0.0004032500000000, 0.0003247200000000, -0.0006910500000000 ] - [ -0.0003323400000000, -0.0003562000000000, -0.0006853500000000 ] - [ -0.0008984800000000, 0.0001995400000000, 0.0000826300000000 ] - [ -0.0004157600000000, -0.0003325700000000, -0.0006243100000000 ] - [ -0.0004684200000000, -0.0002780700000000, -0.0006074400000000 ] - [ -0.0004051300000000, -0.0003455000000000, -0.0006877200000000 ] - [ -0.0004088700000000, -0.0003381300000000, -0.0006773300000000 ] - [ 0.0218033200000000, -0.0019841700000000, -0.0170425600000000 ] - [ -0.0000239100000000, 0.0001311200000000, -0.0001231600000000 ] - [ 0.0001210100000000, -0.0000437000000000, -0.0001419000000000 ] - [ 0.0001029500000000, -0.0000387400000000, -0.0001432800000000 ] - [ 0.0000631000000000, -0.0000365200000000, -0.0001518800000000 ] - [ 0.0000679300000000, -0.0000091200000000, -0.0001502500000000 ] - [ 0.0000871300000000, 0.0003176700000000, 0.0003716600000000 ] - [ 0.0000627700000000, 0.0000866000000000, -0.0000110200000000 ] - [ 0.0001020400000000, 0.0001206700000000, 0.0000160600000000 ] - [ 0.0001622500000000, 0.0000930100000000, -0.0000022800000000 ] - [ 0.0000682300000000, -0.0000363500000000, -0.0001293600000000 ] - [ 0.0000572100000000, -0.0000324900000000, -0.0001288300000000 ] - [ 0.0002043300000000, -0.0007147100000000, -0.0001452600000000 ] - [ -0.0038887400000000, -0.0016708900000000, 0.0015469500000000 ] - [ 0.0005027200000000, -0.0010061500000000, -0.0002849100000000 ] - [ 0.0005499900000000, -0.0011048400000000, -0.0002717000000000 ] - [ 0.0005510300000000, -0.0010000000000000, -0.0003229500000000 ] - [ 0.0005956100000000, -0.0009770700000000, -0.0004138200000000 ] - [ 0.0005377300000000, 0.0010730500000000, -0.0001533800000000 ] - [ 0.0005655500000000, 0.0011418700000000, 0.0000698100000000 ] - [ 0.0005499100000000, 0.0010763300000000, -0.0001272900000000 ] - [ 0.0004534900000000, 0.0011108900000000, -0.0000934600000000 ] - [ 0.0004952200000000, 0.0009377500000000, -0.0002919700000000 ] - [ 0.0004953300000000, 0.0009380000000000, -0.0002827800000000 ] - [ -0.0012727500000000, 0.0005128400000000, 0.0007326100000000 ] - [ 0.0038508800000000, 0.0004015900000000, 0.0024479000000000 ] - [ -0.0004592000000000, 0.0002183900000000, 0.0002868100000000 ] - [ -0.0004764300000000, 0.0002523600000000, 0.0003117400000000 ] - [ -0.0005577100000000, 0.0003305700000000, 0.0002311200000000 ] - [ -0.0005313000000000, 0.0003199500000000, 0.0002676600000000 ] - [ -0.0004678400000000, -0.0003450300000000, 0.0004257800000000 ] - [ -0.0015197800000000, -0.0014457000000000, 0.0014267400000000 ] - [ -0.0002453900000000, -0.0002557400000000, 0.0006358500000000 ] - [ -0.0004458100000000, -0.0002803200000000, 0.0004376400000000 ] - [ -0.0005401400000000, -0.0004317500000000, 0.0003836700000000 ] - [ -0.0005064800000000, -0.0003921000000000, 0.0003906800000000 ] - [ 0.0001430200000000, -0.0002533000000000, 0.0003715100000000 ] - [ -0.0000266600000000, -0.0001573800000000, 0.0002135800000000 ] - [ 0.0000149900000000, -0.0002831600000000, 0.0004301500000000 ] - [ 0.0005524500000000, -0.0008517700000000, -0.0007091400000000 ] - [ 0.0000421600000000, -0.0004032800000000, 0.0003765700000000 ] - [ 0.0000653700000000, -0.0003636000000000, 0.0004254800000000 ] - [ 0.0001118600000000, 0.0002506800000000, 0.0005490400000000 ] - [ 0.0000879600000000, 0.0002873500000000, 0.0006109600000000 ] - [ 0.0001379900000000, 0.0000374100000000, 0.0005846100000000 ] - [ 0.0001034300000000, 0.0001248100000000, 0.0005240200000000 ] - [ 0.0000886900000000, 0.0001610100000000, 0.0005186800000000 ] - [ 0.0001541700000000, 0.0000357000000000, 0.0006485900000000 ] - [ -0.0011886400000000, -0.0014052400000000, -0.0003224700000000 ] - [ -0.0009832400000000, -0.0012006800000000, -0.0003394000000000 ] - [ -0.0011934400000000, -0.0014333600000000, -0.0002962000000000 ] - [ -0.0011675800000000, -0.0013791500000000, -0.0003196600000000 ] - [ -0.0011611500000000, -0.0013744700000000, -0.0003416100000000 ] - [ -0.0011716600000000, -0.0013872000000000, -0.0003531400000000 ] - [ 0.0002735500000000, 0.0004695200000000, -0.0007190100000000 ] - [ -0.0014833200000000, 0.0016991900000000, -0.0002545800000000 ] - [ -0.0008076100000000, 0.0022432500000000, 0.0001432500000000 ] - [ -0.0011378600000000, 0.0012160500000000, -0.0003005700000000 ] - [ -0.0010638700000000, 0.0012757200000000, -0.0003578300000000 ] - [ -0.0010909400000000, 0.0013052300000000, -0.0003482600000000 ] - [ -0.0000102700000000, 0.0001971200000000, 0.0004759300000000 ] - [ 0.0000045100000000, 0.0001499000000000, 0.0005075400000000 ] - [ 0.0003369700000000, -0.0001417600000000, 0.0007467300000000 ] - [ -0.0003591200000000, 0.0007358000000000, 0.0001977700000000 ] - [ -0.0000271500000000, 0.0001540700000000, 0.0005001800000000 ] - [ -0.0000448300000000, 0.0001691300000000, 0.0004728100000000 ] - [ 0.0000387000000000, -0.0004621200000000, 0.0034130100000000 ] - [ -0.0002771500000000, -0.0002649600000000, 0.0003530900000000 ] - [ -0.0000498100000000, -0.0001534100000000, 0.0004103200000000 ] - [ -0.0000311100000000, -0.0001572900000000, 0.0004515700000000 ] - [ -0.0000939200000000, -0.0002410600000000, 0.0003585400000000 ] - [ 0.0001499500000000, 0.0000387600000000, 0.0006687900000000 ]- atom: 37 displacement: [ 0.0021219046125690, 0.0000000000000000, -0.0097722832958914 ] forces: - [ 0.0003687100000000, 0.0007835500000000, 0.0004955000000000 ] - [ 0.0008768900000000, 0.0005471200000000, 0.0013654400000000 ] - [ 0.0005125800000000, 0.0008769700000000, 0.0006666700000000 ] - [ 0.0003164300000000, 0.0011044000000000, 0.0006081300000000 ] - [ 0.0003513600000000, 0.0006782500000000, 0.0002725900000000 ] - [ 0.0003682300000000, 0.0007056500000000, 0.0003050400000000 ] - [ -0.0000388800000000, -0.0008274800000000, 0.0005975600000000 ] - [ 0.0172108000000000, -0.0059202800000000, -0.0035629700000000 ] - [ 0.0003650600000000, -0.0010566000000000, 0.0002125400000000 ] - [ 0.0003631100000000, -0.0010891900000000, 0.0002793300000000 ] - [ 0.0003554100000000, -0.0009033600000000, 0.0000972800000000 ] - [ 0.0002874400000000, -0.0008312900000000, 0.0000330300000000 ] - [ 0.0012720700000000, 0.0010848700000000, 0.0000940700000000 ] - [ 0.0002231000000000, 0.0014896000000000, 0.0005703500000000 ] - [ 0.0010811800000000, 0.0008203100000000, 0.0001307500000000 ] - [ 0.0012737900000000, 0.0004511100000000, 0.0004348200000000 ] - [ 0.0010093600000000, 0.0006488100000000, -0.0001019200000000 ] - [ 0.0010797300000000, 0.0006219000000000, -0.0000019300000000 ] - [ 0.0002171800000000, -0.0000424600000000, -0.0005393000000000 ] - [ 0.0070188600000000, -0.0006360400000000, -0.0033049400000000 ] - [ 0.0009323000000000, -0.0008727400000000, -0.0001821200000000 ] - [ 0.0010496900000000, -0.0010063300000000, -0.0005993300000000 ] - [ 0.0010520300000000, -0.0009187300000000, -0.0001945800000000 ] - [ 0.0010365500000000, -0.0010661600000000, -0.0002753100000000 ] - [ -0.0004273900000000, 0.0002710500000000, -0.0006031400000000 ] - [ -0.0007662700000000, 0.0018619500000000, -0.0029830600000000 ] - [ -0.0003365300000000, 0.0003867500000000, -0.0007309600000000 ] - [ -0.0004683000000000, 0.0003205700000000, -0.0005682600000000 ] - [ -0.0004324800000000, 0.0003342400000000, -0.0006639900000000 ] - [ -0.0004183800000000, 0.0003356600000000, -0.0006740000000000 ] - [ -0.0004913400000000, -0.0003027600000000, -0.0006783000000000 ] - [ 0.0000925100000000, -0.0008788500000000, -0.0014746000000000 ] - [ -0.0004050900000000, -0.0003283100000000, -0.0007416000000000 ] - [ -0.0003536800000000, -0.0003815500000000, -0.0007575300000000 ] - [ -0.0004161500000000, -0.0003152600000000, -0.0006772500000000 ] - [ -0.0004119100000000, -0.0003227400000000, -0.0006882200000000 ] - [ -0.0216685400000000, 0.0022545600000000, 0.0165974500000000 ] - [ 0.0001772900000000, -0.0001573200000000, -0.0001183500000000 ] - [ 0.0000485500000000, 0.0000088400000000, -0.0000976700000000 ] - [ 0.0000592300000000, 0.0000078400000000, -0.0000973500000000 ] - [ 0.0000860800000000, 0.0000111500000000, -0.0000896300000000 ] - [ 0.0000907400000000, -0.0000204300000000, -0.0000903900000000 ] - [ 0.0000558600000000, -0.0002952700000000, -0.0006136500000000 ] - [ 0.0001033700000000, -0.0000535700000000, -0.0002301800000000 ] - [ 0.0000698000000000, -0.0000837900000000, -0.0002572100000000 ] - [ -0.0000005400000000, -0.0000614800000000, -0.0002389200000000 ] - [ 0.0000786100000000, 0.0000604800000000, -0.0001133100000000 ] - [ 0.0000859900000000, 0.0000561700000000, -0.0001146900000000 ] - [ 0.0008322400000000, -0.0012616400000000, -0.0004108600000000 ] - [ 0.0048744700000000, -0.0003140100000000, -0.0020906900000000 ] - [ 0.0005264200000000, -0.0009749800000000, -0.0002669100000000 ] - [ 0.0004761100000000, -0.0008814100000000, -0.0002724700000000 ] - [ 0.0004785100000000, -0.0009792200000000, -0.0002302500000000 ] - [ 0.0004390800000000, -0.0009997500000000, -0.0001486300000000 ] - [ 0.0004895300000000, 0.0009084700000000, -0.0003952800000000 ] - [ 0.0004711200000000, 0.0008319000000000, -0.0006357500000000 ] - [ 0.0004793100000000, 0.0009043600000000, -0.0004255400000000 ] - [ 0.0005706600000000, 0.0008734700000000, -0.0004506200000000 ] - [ 0.0005418200000000, 0.0010352000000000, -0.0002760800000000 ] - [ 0.0005397600000000, 0.0010358300000000, -0.0002805900000000 ] - [ 0.0003096400000000, 0.0001274200000000, -0.0000431400000000 ] - [ -0.0048296500000000, 0.0002411600000000, -0.0017356600000000 ] - [ -0.0005233500000000, 0.0004209300000000, 0.0004040000000000 ] - [ -0.0005096100000000, 0.0003827100000000, 0.0003726700000000 ] - [ -0.0004224200000000, 0.0003100400000000, 0.0004616300000000 ] - [ -0.0004457300000000, 0.0003248400000000, 0.0004347000000000 ] - [ -0.0005161200000000, -0.0002935900000000, 0.0002610300000000 ] - [ 0.0005351200000000, 0.0007875000000000, -0.0007117000000000 ] - [ -0.0007378800000000, -0.0003850500000000, 0.0000532700000000 ] - [ -0.0005406200000000, -0.0003536400000000, 0.0002425000000000 ] - [ -0.0004351800000000, -0.0002167400000000, 0.0003237300000000 ] - [ -0.0004691500000000, -0.0002549200000000, 0.0003114000000000 ] - [ 0.0000156900000000, -0.0002260600000000, 0.0005539600000000 ] - [ 0.0001877300000000, -0.0003226600000000, 0.0007090600000000 ] - [ 0.0001446600000000, -0.0002009200000000, 0.0004952900000000 ] - [ -0.0003717100000000, 0.0003458100000000, 0.0016315300000000 ] - [ 0.0001159700000000, -0.0000751300000000, 0.0005480500000000 ] - [ 0.0000927800000000, -0.0001069900000000, 0.0004992200000000 ] - [ 0.0000453200000000, 0.0002266000000000, 0.0003761300000000 ] - [ 0.0000681000000000, 0.0001804500000000, 0.0003127900000000 ] - [ 0.0000196000000000, 0.0004570200000000, 0.0003405900000000 ] - [ 0.0000548100000000, 0.0003685500000000, 0.0004013500000000 ] - [ 0.0000678700000000, 0.0003079600000000, 0.0004066800000000 ] - [ 0.0000050700000000, 0.0004576900000000, 0.0002783900000000 ] - [ -0.0010909600000000, -0.0012853300000000, -0.0003647500000000 ] - [ -0.0012961600000000, -0.0014920000000000, -0.0003475100000000 ] - [ -0.0010882300000000, -0.0012589900000000, -0.0003925400000000 ] - [ -0.0011147800000000, -0.0013144200000000, -0.0003671200000000 ] - [ -0.0011219600000000, -0.0013197100000000, -0.0003455500000000 ] - [ -0.0011109100000000, -0.0013070900000000, -0.0003348700000000 ] - [ -0.0025428000000000, 0.0022277600000000, 0.0000216600000000 ] - [ -0.0007987200000000, 0.0009965900000000, -0.0004318400000000 ] - [ -0.0014632200000000, 0.0004598600000000, -0.0008303200000000 ] - [ -0.0011431100000000, 0.0014765500000000, -0.0003850600000000 ] - [ -0.0012163400000000, 0.0014177200000000, -0.0003302800000000 ] - [ -0.0011896100000000, 0.0013883800000000, -0.0003398700000000 ] - [ -0.0000488300000000, 0.0001279300000000, 0.0004580000000000 ] - [ -0.0000641900000000, 0.0001758200000000, 0.0004238200000000 ] - [ -0.0003998700000000, 0.0004729800000000, 0.0001797200000000 ] - [ 0.0002989900000000, -0.0004095000000000, 0.0007351000000000 ] - [ -0.0000319100000000, 0.0001707900000000, 0.0004319200000000 ] - [ -0.0000146000000000, 0.0001560400000000, 0.0004591100000000 ] - [ -0.0000900100000000, 0.0001332100000000, -0.0023959900000000 ] - [ 0.0002195000000000, -0.0000592800000000, 0.0005789000000000 ] - [ -0.0000089200000000, -0.0001740300000000, 0.0005192300000000 ] - [ -0.0000269000000000, -0.0001684400000000, 0.0004800000000000 ] - [ 0.0000353900000000, -0.0000839100000000, 0.0005726600000000 ] - [ -0.0002062300000000, -0.0003618900000000, 0.0002658500000000 ]- atom: 49 displacement: [ 0.0099976998849244, 0.0000000000000000, 0.0002144691376016 ] forces: - [ 0.0002630400000000, 0.0009357000000000, 0.0001048200000000 ] - [ 0.0002685400000000, 0.0009867700000000, 0.0000569100000000 ] - [ 0.0006113500000000, 0.0006402700000000, 0.0007156500000000 ] - [ 0.0002467500000000, 0.0008004800000000, 0.0000912100000000 ] - [ 0.0003863200000000, 0.0009553200000000, 0.0003200200000000 ] - [ 0.0003794100000000, 0.0009177600000000, 0.0003196000000000 ] - [ 0.0220252200000000, 0.0103218800000000, -0.0284070200000000 ] - [ -0.0008009600000000, -0.0007098400000000, 0.0004990800000000 ] - [ 0.0002876900000000, -0.0006806400000000, 0.0001706800000000 ] - [ 0.0004136300000000, -0.0006103500000000, 0.0000155600000000 ] - [ 0.0005637700000000, -0.0008889200000000, 0.0004610500000000 ] - [ 0.0002043800000000, -0.0007522900000000, 0.0005090800000000 ] - [ 0.0009534400000000, 0.0006775500000000, -0.0000105900000000 ] - [ 0.0009438400000000, 0.0006289800000000, -0.0002107200000000 ] - [ 0.0011677900000000, 0.0007270000000000, -0.0000083500000000 ] - [ 0.0009826900000000, 0.0007896200000000, -0.0002017300000000 ] - [ 0.0010296800000000, 0.0008880200000000, -0.0001249900000000 ] - [ 0.0010249100000000, 0.0008808200000000, -0.0001410800000000 ] - [ 0.0112549200000000, -0.0037896800000000, -0.0047177500000000 ] - [ -0.0001218600000000, -0.0011220500000000, 0.0003843600000000 ] - [ 0.0016469300000000, -0.0005817700000000, -0.0006010800000000 ] - [ 0.0001910000000000, -0.0004514200000000, 0.0000384600000000 ] - [ 0.0011093800000000, -0.0004232200000000, -0.0000348300000000 ] - [ 0.0007693100000000, -0.0004423400000000, -0.0002160200000000 ] - [ -0.0021101200000000, 0.0004281500000000, 0.0002872900000000 ] - [ -0.0001262400000000, 0.0006108700000000, -0.0010166400000000 ] - [ -0.0006111500000000, 0.0006503400000000, -0.0000757000000000 ] - [ -0.0005054600000000, 0.0003217800000000, -0.0006566600000000 ] - [ -0.0004174400000000, 0.0002956800000000, -0.0006661600000000 ] - [ -0.0003989700000000, 0.0003144400000000, -0.0006512800000000 ] - [ -0.0000607700000000, -0.0005075000000000, -0.0007245500000000 ] - [ -0.0004829500000000, -0.0002664600000000, -0.0006407800000000 ] - [ -0.0004327900000000, -0.0003216000000000, -0.0006758100000000 ] - [ -0.0004053500000000, -0.0003408100000000, -0.0006669500000000 ] - [ -0.0004061300000000, -0.0003452900000000, -0.0006779900000000 ] - [ -0.0004267100000000, -0.0003311200000000, -0.0006744900000000 ] - [ 0.0018697900000000, -0.0003232100000000, -0.0000566600000000 ] - [ 0.0057169800000000, -0.0010503600000000, -0.0033847200000000 ] - [ 0.0001141200000000, -0.0000788800000000, -0.0000813400000000 ] - [ 0.0001009200000000, -0.0001449400000000, -0.0000427600000000 ] - [ 0.0001637300000000, -0.0000757500000000, -0.0001181800000000 ] - [ -0.0000815000000000, -0.0000673200000000, -0.0001186900000000 ] - [ 0.0001227800000000, 0.0000389400000000, -0.0000848600000000 ] - [ 0.0000921700000000, 0.0000695000000000, -0.0000691900000000 ] - [ 0.0001756600000000, 0.0000772700000000, -0.0000655700000000 ] - [ 0.0000172700000000, 0.0000077400000000, -0.0001895700000000 ] - [ 0.0000832200000000, -0.0000061600000000, -0.0001506400000000 ] - [ 0.0000689200000000, -0.0000127700000000, -0.0001524700000000 ] - [ -0.0414806000000000, -0.0070276800000000, 0.0319944800000000 ] - [ 0.0008700000000000, -0.0010249100000000, -0.0005272900000000 ] - [ 0.0004995600000000, -0.0010292000000000, -0.0002317300000000 ] - [ 0.0008122900000000, -0.0013851200000000, -0.0000682900000000 ] - [ 0.0004988000000000, -0.0010392800000000, -0.0002814000000000 ] - [ 0.0008218200000000, -0.0012268700000000, -0.0003219800000000 ] - [ 0.0005214800000000, 0.0010183100000000, -0.0002383100000000 ] - [ 0.0005284400000000, 0.0010245600000000, -0.0001977200000000 ] - [ 0.0004634400000000, 0.0009715500000000, -0.0003874600000000 ] - [ 0.0005279900000000, 0.0010389400000000, -0.0002245000000000 ] - [ 0.0004944800000000, 0.0009586700000000, -0.0003037600000000 ] - [ 0.0004932800000000, 0.0009696200000000, -0.0002960700000000 ] - [ -0.0012840000000000, 0.0007676900000000, 0.0017868600000000 ] - [ 0.0001545400000000, 0.0003993300000000, 0.0006138500000000 ] - [ -0.0004738300000000, 0.0003238900000000, 0.0003681700000000 ] - [ -0.0004679800000000, 0.0002651800000000, 0.0004097700000000 ] - [ -0.0005140900000000, 0.0003119100000000, 0.0002978200000000 ] - [ -0.0005092800000000, 0.0002932800000000, 0.0002581300000000 ] - [ -0.0006863100000000, -0.0005820600000000, 0.0005850400000000 ] - [ -0.0003526700000000, -0.0002959700000000, 0.0003212700000000 ] - [ -0.0004744600000000, -0.0002904100000000, 0.0000048700000000 ] - [ -0.0002651400000000, -0.0001679600000000, 0.0004707900000000 ] - [ -0.0005937200000000, -0.0003880900000000, 0.0003113400000000 ] - [ -0.0005663200000000, -0.0003691200000000, 0.0003147900000000 ] - [ 0.0000068700000000, -0.0002441300000000, 0.0001904300000000 ] - [ 0.0002729100000000, -0.0001726400000000, 0.0004658800000000 ] - [ -0.0009252300000000, 0.0002145100000000, -0.0001627700000000 ] - [ 0.0002288800000000, -0.0001988700000000, 0.0004675600000000 ] - [ 0.0000730400000000, -0.0003595500000000, 0.0004337400000000 ] - [ 0.0000535900000000, -0.0003837300000000, 0.0004498400000000 ] - [ 0.0000320600000000, 0.0003905800000000, 0.0003532500000000 ] - [ 0.0000960300000000, 0.0002576500000000, 0.0004919500000000 ] - [ 0.0000693000000000, 0.0001835500000000, 0.0004473000000000 ] - [ 0.0000818800000000, 0.0001757600000000, 0.0004687100000000 ] - [ 0.0000921200000000, 0.0001533100000000, 0.0004982400000000 ] - [ 0.0000959500000000, 0.0001339400000000, 0.0005143700000000 ] - [ -0.0010550000000000, -0.0012926100000000, -0.0003554300000000 ] - [ -0.0011289900000000, -0.0013319000000000, -0.0003396900000000 ] - [ -0.0011361900000000, -0.0013436500000000, -0.0003436800000000 ] - [ -0.0011583900000000, -0.0013493100000000, -0.0003617300000000 ] - [ -0.0011602900000000, -0.0013746500000000, -0.0003514400000000 ] - [ -0.0011627100000000, -0.0013773900000000, -0.0003527500000000 ] - [ -0.0004867000000000, 0.0014457500000000, -0.0004648200000000 ] - [ 0.0024844200000000, -0.0019969800000000, 0.0007455000000000 ] - [ -0.0010337100000000, 0.0020577500000000, -0.0005515100000000 ] - [ -0.0014111500000000, 0.0013753400000000, -0.0003642600000000 ] - [ -0.0009853500000000, 0.0012313800000000, -0.0003396100000000 ] - [ -0.0010854900000000, 0.0013181600000000, -0.0003620600000000 ] - [ -0.0000058200000000, 0.0001571300000000, 0.0004911600000000 ] - [ -0.0000528200000000, 0.0002142600000000, 0.0004452000000000 ] - [ -0.0001084900000000, 0.0002206600000000, 0.0004353400000000 ] - [ -0.0000913600000000, 0.0002194600000000, 0.0004484600000000 ] - [ -0.0000202700000000, 0.0001621800000000, 0.0004834200000000 ] - [ -0.0000404400000000, 0.0001760100000000, 0.0004727900000000 ] - [ 0.0009944200000000, 0.0000091300000000, -0.0001871500000000 ] - [ 0.0016724900000000, -0.0001068500000000, 0.0020774000000000 ] - [ 0.0000456700000000, -0.0001712200000000, 0.0004540100000000 ] - [ -0.0000796600000000, -0.0001819700000000, 0.0005305200000000 ] - [ 0.0000059200000000, -0.0001393400000000, 0.0005207900000000 ] - [ -0.0000563800000000, -0.0002281900000000, 0.0003344400000000 ]- atom: 49 displacement: [ -0.0099976998849244, 0.0000000000000000, -0.0002144691376016 ] forces: - [ 0.0004699700000000, 0.0007994800000000, 0.0004400900000000 ] - [ 0.0004693400000000, 0.0007509200000000, 0.0004769500000000 ] - [ 0.0001262100000000, 0.0010903200000000, -0.0001773300000000 ] - [ 0.0004908100000000, 0.0009325600000000, 0.0004544700000000 ] - [ 0.0003520200000000, 0.0007751500000000, 0.0002251800000000 ] - [ 0.0003545900000000, 0.0008155800000000, 0.0002246100000000 ] - [ -0.0212540300000000, -0.0118243900000000, 0.0283554400000000 ] - [ 0.0015472700000000, -0.0010267100000000, 0.0000336700000000 ] - [ 0.0004545600000000, -0.0010487000000000, 0.0003665500000000 ] - [ 0.0003171900000000, -0.0011266200000000, 0.0005389400000000 ] - [ 0.0001750600000000, -0.0008555400000000, 0.0000848500000000 ] - [ 0.0005339100000000, -0.0009752600000000, 0.0000382000000000 ] - [ 0.0011093600000000, 0.0008654700000000, -0.0002426900000000 ] - [ 0.0011141900000000, 0.0009120200000000, -0.0000393700000000 ] - [ 0.0008952000000000, 0.0008156600000000, -0.0002442400000000 ] - [ 0.0010787500000000, 0.0007541400000000, -0.0000505600000000 ] - [ 0.0010324700000000, 0.0006558200000000, -0.0001249400000000 ] - [ 0.0010365600000000, 0.0006640100000000, -0.0001098100000000 ] - [ -0.0088823200000000, 0.0019835300000000, 0.0044683000000000 ] - [ 0.0021847900000000, -0.0004235900000000, -0.0006372400000000 ] - [ 0.0004259600000000, -0.0009486000000000, 0.0003588900000000 ] - [ 0.0018768800000000, -0.0010889700000000, -0.0002913900000000 ] - [ 0.0009543500000000, -0.0011191600000000, -0.0002135000000000 ] - [ 0.0012895600000000, -0.0010983000000000, -0.0000346600000000 ] - [ 0.0012583500000000, 0.0002502300000000, -0.0016456800000000 ] - [ -0.0007006800000000, 0.0000481300000000, -0.0003420100000000 ] - [ -0.0002235000000000, 0.0000022300000000, -0.0012815000000000 ] - [ -0.0003183700000000, 0.0003363000000000, -0.0007031100000000 ] - [ -0.0004097900000000, 0.0003632900000000, -0.0006940800000000 ] - [ -0.0004254000000000, 0.0003450800000000, -0.0007094600000000 ] - [ -0.0007612100000000, -0.0001530000000000, -0.0006349900000000 ] - [ -0.0003440300000000, -0.0003918200000000, -0.0007182100000000 ] - [ -0.0003944300000000, -0.0003363800000000, -0.0006841900000000 ] - [ -0.0004202400000000, -0.0003186500000000, -0.0006923800000000 ] - [ -0.0004189000000000, -0.0003142700000000, -0.0006826100000000 ] - [ -0.0003994000000000, -0.0003282900000000, -0.0006857600000000 ] - [ -0.0017635900000000, 0.0002993900000000, -0.0002008600000000 ] - [ -0.0054581600000000, 0.0010030100000000, 0.0030820600000000 ] - [ 0.0000466600000000, 0.0000452500000000, -0.0001624400000000 ] - [ 0.0000481500000000, 0.0001136500000000, -0.0002005000000000 ] - [ 0.0000016100000000, 0.0000396100000000, -0.0001242100000000 ] - [ 0.0002338000000000, 0.0000378600000000, -0.0001244700000000 ] - [ 0.0000308000000000, -0.0000072800000000, -0.0001579400000000 ] - [ 0.0000670300000000, -0.0000344000000000, -0.0001734900000000 ] - [ -0.0000128700000000, -0.0000409800000000, -0.0001775300000000 ] - [ 0.0001365400000000, 0.0000243300000000, -0.0000532400000000 ] - [ 0.0000740900000000, 0.0000391600000000, -0.0000925900000000 ] - [ 0.0000957000000000, 0.0000488100000000, -0.0000897000000000 ] - [ 0.0421540800000000, 0.0051662000000000, -0.0319815200000000 ] - [ 0.0001586800000000, -0.0009533800000000, -0.0000319800000000 ] - [ 0.0005340000000000, -0.0009495700000000, -0.0003328700000000 ] - [ 0.0002097300000000, -0.0005901200000000, -0.0004915000000000 ] - [ 0.0005311400000000, -0.0009392400000000, -0.0002780600000000 ] - [ 0.0002068000000000, -0.0007582300000000, -0.0002303800000000 ] - [ 0.0005063100000000, 0.0009629200000000, -0.0003177600000000 ] - [ 0.0005042000000000, 0.0009553200000000, -0.0003620500000000 ] - [ 0.0005666600000000, 0.0010083400000000, -0.0001714000000000 ] - [ 0.0004984500000000, 0.0009438800000000, -0.0003288200000000 ] - [ 0.0005304500000000, 0.0010243900000000, -0.0002466100000000 ] - [ 0.0005356100000000, 0.0010109900000000, -0.0002611500000000 ] - [ 0.0003011200000000, -0.0001298700000000, -0.0010531300000000 ] - [ -0.0011442400000000, 0.0002405100000000, 0.0000774300000000 ] - [ -0.0005065900000000, 0.0003159000000000, 0.0003360300000000 ] - [ -0.0005182700000000, 0.0003704000000000, 0.0002820600000000 ] - [ -0.0004689800000000, 0.0003291000000000, 0.0004005800000000 ] - [ -0.0004789400000000, 0.0003410000000000, 0.0004298200000000 ] - [ -0.0002973000000000, -0.0000545100000000, 0.0001094500000000 ] - [ -0.0006297800000000, -0.0003449900000000, 0.0003787100000000 ] - [ -0.0005042900000000, -0.0003476800000000, 0.0007029600000000 ] - [ -0.0007244400000000, -0.0004688700000000, 0.0002199200000000 ] - [ -0.0003930000000000, -0.0002463100000000, 0.0003788700000000 ] - [ -0.0004208600000000, -0.0002698200000000, 0.0003790100000000 ] - [ 0.0001461400000000, -0.0002232100000000, 0.0007302500000000 ] - [ -0.0001162700000000, -0.0002992300000000, 0.0004555600000000 ] - [ 0.0010652500000000, -0.0007238100000000, 0.0010971000000000 ] - [ -0.0000739800000000, -0.0002804900000000, 0.0004556000000000 ] - [ 0.0000835000000000, -0.0001292100000000, 0.0004884500000000 ] - [ 0.0001026600000000, -0.0000888300000000, 0.0004727600000000 ] - [ 0.0001230600000000, 0.0000904200000000, 0.0005712200000000 ] - [ 0.0000582600000000, 0.0002135000000000, 0.0004313900000000 ] - [ 0.0000845000000000, 0.0002871700000000, 0.0004762600000000 ] - [ 0.0000733900000000, 0.0002992700000000, 0.0004555500000000 ] - [ 0.0000620100000000, 0.0003208400000000, 0.0004248600000000 ] - [ 0.0000594300000000, 0.0003462300000000, 0.0004093100000000 ] - [ -0.0012213800000000, -0.0013985600000000, -0.0003333700000000 ] - [ -0.0011503100000000, -0.0013620400000000, -0.0003479000000000 ] - [ -0.0011427600000000, -0.0013498000000000, -0.0003443200000000 ] - [ -0.0011213500000000, -0.0013444200000000, -0.0003261000000000 ] - [ -0.0011192400000000, -0.0013194900000000, -0.0003368500000000 ] - [ -0.0011174600000000, -0.0013165900000000, -0.0003350700000000 ] - [ -0.0018022100000000, 0.0012401300000000, -0.0002221100000000 ] - [ -0.0047053300000000, 0.0046367400000000, -0.0014252700000000 ] - [ -0.0012451800000000, 0.0006145300000000, -0.0001320900000000 ] - [ -0.0008686800000000, 0.0013160500000000, -0.0003246300000000 ] - [ -0.0012925200000000, 0.0014613300000000, -0.0003481000000000 ] - [ -0.0011936600000000, 0.0013753700000000, -0.0003264800000000 ] - [ -0.0000508700000000, 0.0001667500000000, 0.0004451500000000 ] - [ -0.0000029600000000, 0.0001094700000000, 0.0004911300000000 ] - [ 0.0000481900000000, 0.0001062800000000, 0.0004996700000000 ] - [ 0.0000369000000000, 0.0001005500000000, 0.0004898500000000 ] - [ -0.0000368500000000, 0.0001614300000000, 0.0004516600000000 ] - [ -0.0000158400000000, 0.0001475500000000, 0.0004630300000000 ] - [ -0.0010793300000000, -0.0003369300000000, 0.0011418500000000 ] - [ -0.0016898100000000, -0.0002134500000000, -0.0011067000000000 ] - [ -0.0001027000000000, -0.0001512100000000, 0.0004821900000000 ] - [ 0.0000219700000000, -0.0001432000000000, 0.0004026300000000 ] - [ -0.0000623100000000, -0.0001852800000000, 0.0004144100000000 ] - [ 0.0000003200000000, -0.0000943000000000, 0.0005999900000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004760900000000, 0.0006903200000000, 0.0005738800000000 ] - [ 0.0005225100000000, 0.0006120700000000, 0.0006128500000000 ] - [ 0.0003664400000000, 0.0011135700000000, 0.0005159300000000 ] - [ 0.0004977300000000, 0.0009386300000000, 0.0006110400000000 ] - [ 0.0003585500000000, 0.0007302000000000, 0.0002544800000000 ] - [ 0.0002907300000000, 0.0008710100000000, 0.0000965700000000 ] - [ 0.0082165600000000, 0.0097060500000000, -0.0145014400000000 ] - [ 0.0007589300000000, -0.0007564300000000, -0.0000864600000000 ] - [ 0.0004938700000000, -0.0016932900000000, 0.0003312900000000 ] - [ 0.0003430400000000, -0.0012290700000000, 0.0005063500000000 ] - [ -0.0000251100000000, -0.0018565700000000, 0.0002811400000000 ] - [ 0.0005471000000000, -0.0010917400000000, -0.0000417900000000 ] - [ 0.0010175300000000, 0.0010468700000000, 0.0000723400000000 ] - [ 0.0011835600000000, 0.0010114200000000, -0.0000428900000000 ] - [ 0.0008413400000000, 0.0010609800000000, 0.0002391900000000 ] - [ 0.0011613600000000, 0.0008178000000000, 0.0000990200000000 ] - [ 0.0010465200000000, 0.0005072000000000, -0.0001201700000000 ] - [ 0.0009838400000000, 0.0005354700000000, -0.0001025000000000 ] - [ 0.0009045400000000, 0.0005835000000000, 0.0025437500000000 ] - [ 0.0014571000000000, 0.0001130300000000, -0.0005349300000000 ] - [ -0.0001971500000000, -0.0019784400000000, -0.0011524500000000 ] - [ 0.0015105600000000, -0.0009479500000000, -0.0001758300000000 ] - [ 0.0009771800000000, -0.0015921600000000, -0.0002190600000000 ] - [ 0.0013533200000000, -0.0013228100000000, -0.0000409400000000 ] - [ -0.0004554800000000, 0.0020857400000000, -0.0020119300000000 ] - [ -0.0005980900000000, 0.0000999400000000, -0.0004624500000000 ] - [ 0.0003811500000000, 0.0019329700000000, -0.0003201300000000 ] - [ -0.0003052100000000, 0.0003830300000000, -0.0007356900000000 ] - [ -0.0003858000000000, 0.0004255300000000, -0.0007442300000000 ] - [ -0.0004692500000000, 0.0003511100000000, -0.0006851400000000 ] - [ -0.0006282100000000, -0.0002331700000000, -0.0006594400000000 ] - [ -0.0004396000000000, -0.0003267400000000, -0.0006857300000000 ] - [ -0.0003193000000000, -0.0005132500000000, -0.0007825600000000 ] - [ -0.0004052800000000, -0.0003481100000000, -0.0007168800000000 ] - [ -0.0003820400000000, -0.0003302600000000, -0.0006928300000000 ] - [ -0.0003936300000000, -0.0003187100000000, -0.0006870800000000 ] - [ -0.0005025300000000, -0.0000693700000000, 0.0000310500000000 ] - [ 0.0012087200000000, -0.0015801000000000, -0.0005577500000000 ] - [ 0.0000553700000000, 0.0000257900000000, -0.0001375800000000 ] - [ 0.0000721500000000, 0.0002823700000000, -0.0001120300000000 ] - [ 0.0000270800000000, 0.0000781700000000, -0.0001491700000000 ] - [ 0.0001073600000000, 0.0003360400000000, -0.0002264000000000 ] - [ 0.0000488700000000, -0.0000134100000000, -0.0002103100000000 ] - [ 0.0001304900000000, -0.0000943000000000, -0.0002714800000000 ] - [ -0.0000070500000000, -0.0000699800000000, -0.0002291900000000 ] - [ 0.0000719400000000, -0.0001249800000000, -0.0002410100000000 ] - [ 0.0001282500000000, 0.0000624400000000, -0.0000618200000000 ] - [ 0.0001040600000000, 0.0000912500000000, -0.0000689800000000 ] - [ -0.0061503700000000, -0.0236139400000000, 0.0199796900000000 ] - [ 0.0004712500000000, -0.0011622700000000, 0.0000091300000000 ] - [ 0.0004651500000000, -0.0007826900000000, -0.0003346500000000 ] - [ 0.0002829600000000, -0.0006848600000000, -0.0004470600000000 ] - [ 0.0004834400000000, -0.0007760600000000, -0.0003405400000000 ] - [ 0.0001163900000000, -0.0006880900000000, -0.0002206400000000 ] - [ 0.0004898200000000, 0.0009570900000000, -0.0003625700000000 ] - [ 0.0004809700000000, 0.0009603700000000, -0.0003822400000000 ] - [ 0.0005347400000000, 0.0009051100000000, -0.0003963100000000 ] - [ 0.0004699200000000, 0.0008940000000000, -0.0003910400000000 ] - [ 0.0005465400000000, 0.0010533700000000, -0.0002426800000000 ] - [ 0.0005400700000000, 0.0010325700000000, -0.0002287500000000 ] - [ -0.0001135600000000, -0.0007038100000000, -0.0004693100000000 ] - [ -0.0004825300000000, 0.0002574600000000, 0.0002938700000000 ] - [ -0.0006133500000000, 0.0006676200000000, 0.0001523000000000 ] - [ -0.0005213300000000, 0.0003918300000000, 0.0002792700000000 ] - [ -0.0003454200000000, 0.0005857200000000, 0.0006444500000000 ] - [ -0.0004933700000000, 0.0003832100000000, 0.0004852200000000 ] - [ -0.0003995600000000, -0.0000588800000000, 0.0001000700000000 ] - [ -0.0006012200000000, -0.0002433100000000, 0.0002916300000000 ] - [ -0.0006693100000000, -0.0004291900000000, 0.0003242500000000 ] - [ -0.0009643800000000, -0.0006032100000000, 0.0000027700000000 ] - [ -0.0003906800000000, -0.0002105400000000, 0.0003342400000000 ] - [ -0.0001937800000000, -0.0001157600000000, 0.0005496400000000 ] - [ 0.0000503400000000, 0.0010295100000000, 0.0005387900000000 ] - [ -0.0001203800000000, -0.0001970100000000, 0.0005317300000000 ] - [ 0.0025983700000000, 0.0063902900000000, -0.0031905400000000 ] - [ 0.0000423400000000, -0.0003881600000000, 0.0004807000000000 ] - [ 0.0000963700000000, 0.0001634100000000, 0.0005505500000000 ] - [ 0.0001026200000000, 0.0000147200000000, 0.0004941200000000 ] - [ 0.0000855600000000, 0.0000940600000000, 0.0004210200000000 ] - [ 0.0000584400000000, 0.0001447400000000, 0.0004206400000000 ] - [ 0.0000738900000000, 0.0003091600000000, 0.0004485500000000 ] - [ 0.0000705800000000, 0.0002823100000000, 0.0004535600000000 ] - [ 0.0000483200000000, 0.0003682600000000, 0.0003820700000000 ] - [ 0.0000281100000000, 0.0004406100000000, 0.0003403300000000 ] - [ -0.0012824800000000, -0.0014564200000000, -0.0003686400000000 ] - [ -0.0011629000000000, -0.0013718700000000, -0.0003508400000000 ] - [ -0.0011773500000000, -0.0013907600000000, -0.0003431500000000 ] - [ -0.0011044100000000, -0.0013573900000000, -0.0003647900000000 ] - [ -0.0010747000000000, -0.0012834400000000, -0.0003298300000000 ] - [ -0.0010936700000000, -0.0013005000000000, -0.0003342800000000 ] - [ -0.0008208800000000, 0.0016425700000000, -0.0003728200000000 ] - [ -0.0059082800000000, 0.0051941400000000, -0.0012785700000000 ] - [ -0.0009870800000000, 0.0009922800000000, -0.0003881100000000 ] - [ -0.0010327500000000, 0.0013383700000000, -0.0002605800000000 ] - [ -0.0013440700000000, 0.0015053800000000, -0.0003504700000000 ] - [ -0.0013272600000000, 0.0015055200000000, -0.0003257100000000 ] - [ -0.0000800300000000, 0.0001720400000000, 0.0004268700000000 ] - [ -0.0000144100000000, 0.0001120300000000, 0.0004519500000000 ] - [ 0.0000215800000000, 0.0001525100000000, 0.0004929000000000 ] - [ -0.0000540300000000, 0.0001855100000000, 0.0004188200000000 ] - [ 0.0001142000000000, 0.0000582100000000, 0.0005282200000000 ] - [ -0.0000262400000000, 0.0001664400000000, 0.0004439000000000 ] - [ 0.0000620200000000, -0.0002681000000000, 0.0003910000000000 ] - [ 0.0000449800000000, -0.0008666300000000, -0.0001709100000000 ] - [ -0.0000924500000000, -0.0001835400000000, 0.0004568100000000 ] - [ 0.0001582400000000, -0.0000100200000000, 0.0007040800000000 ] - [ -0.0000640300000000, -0.0001695700000000, 0.0004383900000000 ] - [ 0.0000389200000000, -0.0000360800000000, 0.0006828500000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002597100000000, 0.0010434400000000, -0.0000277700000000 ] - [ 0.0002109800000000, 0.0011215700000000, -0.0000709000000000 ] - [ 0.0003697500000000, 0.0006200300000000, 0.0000272800000000 ] - [ 0.0002355600000000, 0.0007970100000000, -0.0000648400000000 ] - [ 0.0003737900000000, 0.0010081300000000, 0.0002903700000000 ] - [ 0.0004400500000000, 0.0008707400000000, 0.0004480600000000 ] - [ -0.0073626400000000, -0.0115226500000000, 0.0148089500000000 ] - [ -0.0000317400000000, -0.0009812300000000, 0.0006323300000000 ] - [ 0.0002363100000000, -0.0000494300000000, 0.0002141300000000 ] - [ 0.0003857000000000, -0.0005068800000000, 0.0000436500000000 ] - [ 0.0007622200000000, 0.0001191600000000, 0.0002599700000000 ] - [ 0.0001843300000000, -0.0006458800000000, 0.0005893700000000 ] - [ 0.0010482000000000, 0.0004926600000000, -0.0003280800000000 ] - [ 0.0008781400000000, 0.0005282500000000, -0.0002107700000000 ] - [ 0.0012236600000000, 0.0004852800000000, -0.0004919100000000 ] - [ 0.0009039300000000, 0.0007279200000000, -0.0003527200000000 ] - [ 0.0010181000000000, 0.0010366100000000, -0.0001319300000000 ] - [ 0.0010796900000000, 0.0010088200000000, -0.0001507900000000 ] - [ 0.0012597300000000, -0.0022137700000000, -0.0027767100000000 ] - [ 0.0006051600000000, -0.0016557900000000, 0.0002912200000000 ] - [ 0.0022554600000000, 0.0004351700000000, 0.0009003000000000 ] - [ 0.0005543200000000, -0.0005898200000000, -0.0000741900000000 ] - [ 0.0010889900000000, 0.0000510200000000, -0.0000337600000000 ] - [ 0.0007092100000000, -0.0002195300000000, -0.0002114700000000 ] - [ -0.0003663800000000, -0.0014677100000000, 0.0006730300000000 ] - [ -0.0002286100000000, 0.0005593600000000, -0.0009047700000000 ] - [ -0.0011951500000000, -0.0012383900000000, -0.0010250000000000 ] - [ -0.0005215300000000, 0.0002740500000000, -0.0006292400000000 ] - [ -0.0004415500000000, 0.0002325800000000, -0.0006210600000000 ] - [ -0.0003578500000000, 0.0003073200000000, -0.0006805600000000 ] - [ -0.0001975100000000, -0.0004266800000000, -0.0007062400000000 ] - [ -0.0003870600000000, -0.0003317700000000, -0.0006795900000000 ] - [ -0.0005083800000000, -0.0001455600000000, -0.0005828100000000 ] - [ -0.0004220100000000, -0.0003102100000000, -0.0006483900000000 ] - [ -0.0004449600000000, -0.0003280400000000, -0.0006728200000000 ] - [ -0.0004336600000000, -0.0003397000000000, -0.0006780900000000 ] - [ 0.0006605100000000, 0.0000458000000000, -0.0002728700000000 ] - [ -0.0010759000000000, 0.0015523600000000, 0.0003348600000000 ] - [ 0.0001261200000000, -0.0000580800000000, -0.0001025900000000 ] - [ 0.0000870200000000, -0.0003071000000000, -0.0001284400000000 ] - [ 0.0001392200000000, -0.0001048600000000, -0.0000917400000000 ] - [ 0.0000424900000000, -0.0003592100000000, -0.0000150400000000 ] - [ 0.0001191000000000, 0.0000431800000000, -0.0000287900000000 ] - [ 0.0000456300000000, 0.0001286400000000, 0.0000327100000000 ] - [ 0.0001886900000000, 0.0001039600000000, -0.0000100300000000 ] - [ 0.0001025600000000, 0.0001562600000000, 0.0000012100000000 ] - [ 0.0000249200000000, -0.0000400600000000, -0.0001798300000000 ] - [ 0.0000592900000000, -0.0000638300000000, -0.0001716000000000 ] - [ 0.0069007300000000, 0.0217918700000000, -0.0203375500000000 ] - [ 0.0005605000000000, -0.0008114400000000, -0.0005716600000000 ] - [ 0.0005632100000000, -0.0011954300000000, -0.0002193700000000 ] - [ 0.0007339700000000, -0.0012951600000000, -0.0000932700000000 ] - [ 0.0005519500000000, -0.0011962100000000, -0.0002256000000000 ] - [ 0.0009115100000000, -0.0012918100000000, -0.0003293200000000 ] - [ 0.0005325500000000, 0.0010264800000000, -0.0001783600000000 ] - [ 0.0005441300000000, 0.0010213900000000, -0.0001632700000000 ] - [ 0.0004857500000000, 0.0010781200000000, -0.0001441600000000 ] - [ 0.0005498900000000, 0.0010904500000000, -0.0001456100000000 ] - [ 0.0004812400000000, 0.0009251400000000, -0.0003091600000000 ] - [ 0.0004934900000000, 0.0009416400000000, -0.0003331800000000 ] - [ -0.0008694200000000, 0.0013393500000000, 0.0011886000000000 ] - [ -0.0004923900000000, 0.0003907200000000, 0.0004097600000000 ] - [ -0.0003640200000000, -0.0000222700000000, 0.0005423500000000 ] - [ -0.0004641000000000, 0.0002460000000000, 0.0003968200000000 ] - [ -0.0006278200000000, 0.0000622700000000, 0.0000608700000000 ] - [ -0.0004868900000000, 0.0002608100000000, 0.0002042300000000 ] - [ -0.0005817500000000, -0.0005794300000000, 0.0005816700000000 ] - [ -0.0003783500000000, -0.0003984300000000, 0.0003965700000000 ] - [ -0.0003156300000000, -0.0002100400000000, 0.0003558300000000 ] - [ -0.0000196400000000, -0.0000333200000000, 0.0006772800000000 ] - [ -0.0005874900000000, -0.0004338200000000, 0.0003598500000000 ] - [ -0.0007779100000000, -0.0005329100000000, 0.0001561500000000 ] - [ 0.0001156500000000, -0.0015464500000000, 0.0003752700000000 ] - [ 0.0002776700000000, -0.0002713600000000, 0.0003914900000000 ] - [ -0.0024157000000000, -0.0067683900000000, 0.0040622600000000 ] - [ 0.0001156700000000, -0.0000990300000000, 0.0004434600000000 ] - [ 0.0000604000000000, -0.0006398700000000, 0.0003737100000000 ] - [ 0.0000530700000000, -0.0004669800000000, 0.0004292900000000 ] - [ 0.0000689600000000, 0.0003656300000000, 0.0005046300000000 ] - [ 0.0000955100000000, 0.0003068900000000, 0.0005039800000000 ] - [ 0.0000809800000000, 0.0001605600000000, 0.0004769500000000 ] - [ 0.0000863400000000, 0.0001981200000000, 0.0004725100000000 ] - [ 0.0001059700000000, 0.0000892000000000, 0.0005423200000000 ] - [ 0.0001271400000000, 0.0000267700000000, 0.0005851600000000 ] - [ -0.0009979900000000, -0.0012373600000000, -0.0003150400000000 ] - [ -0.0011195300000000, -0.0013241700000000, -0.0003328900000000 ] - [ -0.0011060800000000, -0.0013056000000000, -0.0003400900000000 ] - [ -0.0011789800000000, -0.0013389500000000, -0.0003185000000000 ] - [ -0.0012081100000000, -0.0014125100000000, -0.0003543300000000 ] - [ -0.0011893200000000, -0.0013958000000000, -0.0003495300000000 ] - [ -0.0014734400000000, 0.0010369700000000, -0.0003098900000000 ] - [ 0.0036830600000000, -0.0025378400000000, 0.0005949700000000 ] - [ -0.0012939800000000, 0.0016962800000000, -0.0002949800000000 ] - [ -0.0012485600000000, 0.0013560700000000, -0.0004219300000000 ] - [ -0.0009378400000000, 0.0011898800000000, -0.0003331700000000 ] - [ -0.0009556300000000, 0.0011906200000000, -0.0003588100000000 ] - [ 0.0000248300000000, 0.0001466800000000, 0.0005041300000000 ] - [ -0.0000418300000000, 0.0002070400000000, 0.0004788400000000 ] - [ -0.0000808100000000, 0.0001695700000000, 0.0004368600000000 ] - [ -0.0000015500000000, 0.0001337000000000, 0.0005122600000000 ] - [ -0.0001701000000000, 0.0002598800000000, 0.0004032500000000 ] - [ -0.0000295300000000, 0.0001520700000000, 0.0004865300000000 ] - [ -0.0001199500000000, -0.0000516700000000, 0.0005344600000000 ] - [ -0.0001108600000000, 0.0005665300000000, 0.0011078100000000 ] - [ 0.0000357500000000, -0.0001357200000000, 0.0004732000000000 ] - [ -0.0002108200000000, -0.0003064600000000, 0.0002268200000000 ] - [ 0.0000080800000000, -0.0001486700000000, 0.0004915800000000 ] - [ -0.0000955800000000, -0.0002827200000000, 0.0002459100000000 ]- atom: 49 displacement: [ -0.0021219046125690, 0.0000000000000000, 0.0097722832958914 ] forces: - [ 0.0002228800000000, 0.0009113000000000, -0.0001244400000000 ] - [ 0.0002508500000000, 0.0009650800000000, -0.0000937900000000 ] - [ 0.0003467600000000, 0.0008207400000000, -0.0004115300000000 ] - [ 0.0002101600000000, 0.0008530000000000, -0.0002208800000000 ] - [ 0.0003545300000000, 0.0009393700000000, 0.0001784400000000 ] - [ 0.0003883100000000, 0.0010683700000000, 0.0002629200000000 ] - [ -0.0275933300000000, -0.0203925500000000, 0.0502302400000000 ] - [ 0.0008806800000000, -0.0009721400000000, 0.0007675100000000 ] - [ 0.0003698100000000, -0.0004633600000000, 0.0004388500000000 ] - [ 0.0003732700000000, -0.0007734200000000, 0.0004436300000000 ] - [ 0.0003857900000000, -0.0007022900000000, 0.0005366000000000 ] - [ 0.0003632200000000, -0.0006174700000000, 0.0005138800000000 ] - [ 0.0011299300000000, 0.0004394000000000, -0.0007903100000000 ] - [ 0.0005313900000000, 0.0003738600000000, -0.0002400600000000 ] - [ 0.0011632400000000, 0.0007301500000000, -0.0005479800000000 ] - [ 0.0009916900000000, 0.0008300200000000, -0.0006307000000000 ] - [ 0.0010138600000000, 0.0008474200000000, -0.0001684900000000 ] - [ 0.0010385100000000, 0.0008778600000000, -0.0001596300000000 ] - [ -0.0082414700000000, 0.0041075200000000, 0.0035888500000000 ] - [ 0.0022280900000000, -0.0011164300000000, 0.0003245800000000 ] - [ 0.0009171100000000, -0.0006770000000000, 0.0018530600000000 ] - [ 0.0012922000000000, -0.0008433400000000, -0.0001674800000000 ] - [ 0.0010583200000000, -0.0004383100000000, 0.0000053500000000 ] - [ 0.0009405800000000, -0.0005366100000000, -0.0001223200000000 ] - [ 0.0011047300000000, -0.0015275100000000, -0.0003905000000000 ] - [ -0.0004116600000000, 0.0003477800000000, -0.0007162500000000 ] - [ 0.0001058200000000, 0.0011147700000000, -0.0011795600000000 ] - [ -0.0004239500000000, 0.0002885600000000, -0.0006715400000000 ] - [ -0.0004202300000000, 0.0003021600000000, -0.0006731200000000 ] - [ -0.0003745700000000, 0.0003289100000000, -0.0006980400000000 ] - [ 0.0001732600000000, -0.0006779300000000, -0.0007315900000000 ] - [ -0.0003356000000000, -0.0003590400000000, -0.0006670100000000 ] - [ -0.0004854500000000, -0.0002061800000000, -0.0005768400000000 ] - [ -0.0003870900000000, -0.0003780300000000, -0.0005971800000000 ] - [ -0.0004171000000000, -0.0003285100000000, -0.0006710500000000 ] - [ -0.0004118000000000, -0.0003419900000000, -0.0006762300000000 ] - [ 0.0003016100000000, 0.0001203900000000, 0.0001308000000000 ] - [ -0.0056496000000000, 0.0010194600000000, 0.0013871700000000 ] - [ 0.0000785700000000, 0.0000082200000000, -0.0001763200000000 ] - [ 0.0000551700000000, -0.0000749900000000, -0.0002730000000000 ] - [ 0.0000596000000000, -0.0000754700000000, -0.0001329200000000 ] - [ -0.0000005800000000, -0.0000402500000000, -0.0001495000000000 ] - [ 0.0001138700000000, 0.0000834700000000, -0.0000038900000000 ] - [ 0.0000325200000000, 0.0002537400000000, 0.0002185300000000 ] - [ 0.0001553000000000, 0.0001213900000000, 0.0000377100000000 ] - [ 0.0000618400000000, 0.0001142700000000, 0.0000580600000000 ] - [ 0.0000595900000000, -0.0000278100000000, -0.0001242600000000 ] - [ 0.0000810100000000, -0.0000014900000000, -0.0001112800000000 ] - [ 0.0414080100000000, 0.0195226500000000, -0.0672215100000000 ] - [ 0.0002090600000000, -0.0007110600000000, -0.0005731900000000 ] - [ 0.0005219700000000, -0.0010392700000000, -0.0003758800000000 ] - [ 0.0004064400000000, -0.0008649900000000, -0.0003727500000000 ] - [ 0.0005738500000000, -0.0010480300000000, -0.0003622700000000 ] - [ 0.0006566900000000, -0.0011163100000000, -0.0003202500000000 ] - [ 0.0005462700000000, 0.0010809100000000, -0.0001221300000000 ] - [ 0.0005922900000000, 0.0010999200000000, -0.0001296600000000 ] - [ 0.0004178700000000, 0.0011230900000000, -0.0000129500000000 ] - [ 0.0005564200000000, 0.0011060500000000, -0.0000978900000000 ] - [ 0.0004883700000000, 0.0009788300000000, -0.0002451900000000 ] - [ 0.0005009000000000, 0.0009502600000000, -0.0002716200000000 ] - [ -0.0009084000000000, -0.0000262600000000, 0.0083858900000000 ] - [ -0.0008795800000000, 0.0002794600000000, 0.0002273500000000 ] - [ -0.0004495700000000, 0.0000852900000000, 0.0003791400000000 ] - [ -0.0004691900000000, 0.0002410900000000, 0.0002412900000000 ] - [ -0.0005420300000000, 0.0002931700000000, 0.0002178000000000 ] - [ -0.0005639300000000, 0.0002795300000000, 0.0001737300000000 ] - [ -0.0004164900000000, -0.0004019700000000, 0.0005066100000000 ] - [ -0.0004975400000000, -0.0004333100000000, 0.0005114500000000 ] - [ -0.0004889800000000, -0.0001507600000000, 0.0009773700000000 ] - [ -0.0002683400000000, -0.0002423000000000, 0.0006647800000000 ] - [ -0.0004781600000000, -0.0003520700000000, 0.0004231900000000 ] - [ -0.0005629500000000, -0.0004553500000000, 0.0003844200000000 ] - [ -0.0001934900000000, -0.0000216700000000, 0.0003529300000000 ] - [ 0.0000933400000000, -0.0003983900000000, 0.0003270700000000 ] - [ -0.0013559700000000, -0.0041841100000000, 0.0017910700000000 ] - [ 0.0000239000000000, -0.0002027300000000, 0.0003765100000000 ] - [ 0.0000649500000000, -0.0004292800000000, 0.0003966900000000 ] - [ 0.0000699800000000, -0.0003276200000000, 0.0004214200000000 ] - [ 0.0001034400000000, 0.0002166200000000, 0.0006156100000000 ] - [ 0.0001271700000000, 0.0002447400000000, 0.0005812400000000 ] - [ 0.0000943500000000, 0.0001798700000000, 0.0005179600000000 ] - [ 0.0001603600000000, -0.0000084100000000, 0.0006319600000000 ] - [ 0.0001054300000000, 0.0002004100000000, 0.0005370400000000 ] - [ 0.0001123800000000, 0.0001533300000000, 0.0005495500000000 ] - [ -0.0007559100000000, -0.0010156200000000, -0.0002999200000000 ] - [ -0.0012045300000000, -0.0013722800000000, -0.0003116600000000 ] - [ -0.0011618200000000, -0.0013703400000000, -0.0003402500000000 ] - [ -0.0012073000000000, -0.0013796000000000, -0.0003220100000000 ] - [ -0.0011626300000000, -0.0013811500000000, -0.0003531100000000 ] - [ -0.0011486400000000, -0.0013647500000000, -0.0003501600000000 ] - [ -0.0017342100000000, 0.0015881900000000, -0.0002619300000000 ] - [ 0.0002263900000000, 0.0002644400000000, -0.0005251400000000 ] - [ -0.0011387000000000, 0.0008835800000000, -0.0000427000000000 ] - [ -0.0010812800000000, 0.0013330500000000, -0.0003765100000000 ] - [ -0.0010688900000000, 0.0012817100000000, -0.0003407100000000 ] - [ -0.0010559300000000, 0.0012616300000000, -0.0003600200000000 ] - [ 0.0000198100000000, 0.0001531500000000, 0.0005206100000000 ] - [ -0.0000259800000000, 0.0001969700000000, 0.0005636300000000 ] - [ -0.0006732000000000, 0.0006794100000000, 0.0003792600000000 ] - [ 0.0000452500000000, 0.0001012700000000, 0.0005486900000000 ] - [ -0.0001053400000000, 0.0002172600000000, 0.0004432400000000 ] - [ -0.0000235300000000, 0.0001610900000000, 0.0004833200000000 ] - [ -0.0014679500000000, -0.0004967800000000, 0.0008558800000000 ] - [ 0.0013834200000000, -0.0009730700000000, 0.0004626100000000 ] - [ -0.0000484300000000, -0.0001543300000000, 0.0004686200000000 ] - [ 0.0000400800000000, -0.0001352500000000, 0.0001762000000000 ] - [ -0.0000177700000000, -0.0001718200000000, 0.0004548000000000 ] - [ -0.0000734000000000, -0.0002231800000000, 0.0003619800000000 ]- atom: 49 displacement: [ 0.0021219046125690, 0.0000000000000000, -0.0097722832958914 ] forces: - [ 0.0005134100000000, 0.0008196500000000, 0.0006677900000000 ] - [ 0.0004849400000000, 0.0007645200000000, 0.0006321200000000 ] - [ 0.0003825200000000, 0.0009128800000000, 0.0009488500000000 ] - [ 0.0005250900000000, 0.0008787300000000, 0.0007627300000000 ] - [ 0.0003833800000000, 0.0007864700000000, 0.0003668200000000 ] - [ 0.0003444600000000, 0.0006633300000000, 0.0002787900000000 ] - [ 0.0297360800000000, 0.0197991200000000, -0.0517917300000000 ] - [ -0.0001503100000000, -0.0007600400000000, -0.0002322400000000 ] - [ 0.0003679700000000, -0.0012689400000000, 0.0001027100000000 ] - [ 0.0003629100000000, -0.0009572000000000, 0.0000998800000000 ] - [ 0.0003486800000000, -0.0010346900000000, 0.0000076700000000 ] - [ 0.0003716800000000, -0.0011141300000000, 0.0000281300000000 ] - [ 0.0009354600000000, 0.0011061700000000, 0.0005399500000000 ] - [ 0.0015358600000000, 0.0011739200000000, -0.0000098400000000 ] - [ 0.0009001000000000, 0.0008128900000000, 0.0002962500000000 ] - [ 0.0010715500000000, 0.0007146700000000, 0.0003813900000000 ] - [ 0.0010504900000000, 0.0006959500000000, -0.0000813000000000 ] - [ 0.0010262700000000, 0.0006660500000000, -0.0000889700000000 ] - [ 0.0102810000000000, -0.0056446100000000, -0.0037461600000000 ] - [ -0.0001571700000000, -0.0004154700000000, -0.0005627100000000 ] - [ 0.0011434200000000, -0.0008668900000000, -0.0020952300000000 ] - [ 0.0007733800000000, -0.0007014800000000, -0.0000820800000000 ] - [ 0.0010061900000000, -0.0011081300000000, -0.0002534200000000 ] - [ 0.0011253200000000, -0.0010100400000000, -0.0001269600000000 ] - [ -0.0019056900000000, 0.0021520000000000, -0.0009690500000000 ] - [ -0.0004106500000000, 0.0003087100000000, -0.0006477400000000 ] - [ -0.0009243800000000, -0.0004542300000000, -0.0001915400000000 ] - [ -0.0003969800000000, 0.0003702700000000, -0.0006929000000000 ] - [ -0.0004020500000000, 0.0003568800000000, -0.0006917600000000 ] - [ -0.0004472100000000, 0.0003297700000000, -0.0006658800000000 ] - [ -0.0010014700000000, 0.0000220000000000, -0.0006325500000000 ] - [ -0.0004848300000000, -0.0003006000000000, -0.0006976000000000 ] - [ -0.0003366000000000, -0.0004529900000000, -0.0007866400000000 ] - [ -0.0004353400000000, -0.0002807400000000, -0.0007677900000000 ] - [ -0.0004045400000000, -0.0003314600000000, -0.0006937200000000 ] - [ -0.0004093300000000, -0.0003184400000000, -0.0006888300000000 ] - [ -0.0001631800000000, -0.0001439600000000, -0.0003753000000000 ] - [ 0.0058886900000000, -0.0010483500000000, -0.0016488500000000 ] - [ 0.0000803200000000, -0.0000385300000000, -0.0000655100000000 ] - [ 0.0000796400000000, 0.0000554900000000, 0.0000280000000000 ] - [ 0.0000838100000000, 0.0000506400000000, -0.0001090900000000 ] - [ 0.0001523700000000, 0.0000144200000000, -0.0000923400000000 ] - [ 0.0000321900000000, -0.0000580800000000, -0.0002397300000000 ] - [ 0.0001131400000000, -0.0002277600000000, -0.0004615800000000 ] - [ -0.0000129300000000, -0.0000968100000000, -0.0002813300000000 ] - [ 0.0000874900000000, -0.0000873900000000, -0.0003000400000000 ] - [ 0.0001012600000000, 0.0000586800000000, -0.0001180900000000 ] - [ 0.0000744800000000, 0.0000317500000000, -0.0001297900000000 ] - [ -0.0418148100000000, -0.0226616300000000, 0.0689008700000000 ] - [ 0.0008228200000000, -0.0012640100000000, 0.0000124400000000 ] - [ 0.0005127400000000, -0.0009329700000000, -0.0001913300000000 ] - [ 0.0006183400000000, -0.0011163000000000, -0.0001743700000000 ] - [ 0.0004555200000000, -0.0009305400000000, -0.0001906900000000 ] - [ 0.0003729800000000, -0.0008596100000000, -0.0002382800000000 ] - [ 0.0004836800000000, 0.0008973500000000, -0.0004337600000000 ] - [ 0.0004386600000000, 0.0008766000000000, -0.0004283300000000 ] - [ 0.0006117500000000, 0.0008554800000000, -0.0005397900000000 ] - [ 0.0004757100000000, 0.0008705800000000, -0.0004625200000000 ] - [ 0.0005379600000000, 0.0010034000000000, -0.0003035100000000 ] - [ 0.0005235000000000, 0.0010313100000000, -0.0002751200000000 ] - [ -0.0000836300000000, 0.0006661900000000, -0.0078516300000000 ] - [ -0.0000988100000000, 0.0003670000000000, 0.0004720400000000 ] - [ -0.0005262600000000, 0.0005638500000000, 0.0003255100000000 ] - [ -0.0005175500000000, 0.0003991500000000, 0.0004410200000000 ] - [ -0.0004403900000000, 0.0003506100000000, 0.0004722900000000 ] - [ -0.0004154000000000, 0.0003647800000000, 0.0005242500000000 ] - [ -0.0005636800000000, -0.0002405800000000, 0.0001859400000000 ] - [ -0.0004829300000000, -0.0002118500000000, 0.0001840500000000 ] - [ -0.0004990900000000, -0.0004866400000000, -0.0002684500000000 ] - [ -0.0007125200000000, -0.0004045100000000, 0.0000318800000000 ] - [ -0.0005077000000000, -0.0002878100000000, 0.0002612900000000 ] - [ -0.0004228700000000, -0.0001841400000000, 0.0002984500000000 ] - [ 0.0003569300000000, -0.0004761700000000, 0.0005700100000000 ] - [ 0.0000655700000000, -0.0001003600000000, 0.0005999500000000 ] - [ 0.0015264700000000, 0.0037337100000000, -0.0008759300000000 ] - [ 0.0001363800000000, -0.0002996300000000, 0.0005499800000000 ] - [ 0.0000959200000000, -0.0000833300000000, 0.0005302800000000 ] - [ 0.0000897500000000, -0.0001562400000000, 0.0005048400000000 ] - [ 0.0000552300000000, 0.0002783600000000, 0.0003118200000000 ] - [ 0.0000321300000000, 0.0002563500000000, 0.0003459500000000 ] - [ 0.0000640900000000, 0.0003091700000000, 0.0004091600000000 ] - [ -0.0000029000000000, 0.0004913600000000, 0.0002940300000000 ] - [ 0.0000530900000000, 0.0002975300000000, 0.0003901400000000 ] - [ 0.0000457800000000, 0.0003451600000000, 0.0003768500000000 ] - [ -0.0015235800000000, -0.0016766400000000, -0.0003887300000000 ] - [ -0.0010725600000000, -0.0013184100000000, -0.0003779900000000 ] - [ -0.0011147800000000, -0.0013198300000000, -0.0003492300000000 ] - [ -0.0010683900000000, -0.0013106100000000, -0.0003658700000000 ] - [ -0.0011147100000000, -0.0013100200000000, -0.0003356600000000 ] - [ -0.0011278600000000, -0.0013260300000000, -0.0003387000000000 ] - [ -0.0005411500000000, 0.0011020100000000, -0.0004277700000000 ] - [ -0.0025277900000000, 0.0024478600000000, -0.0001755700000000 ] - [ -0.0011384400000000, 0.0018049400000000, -0.0006436500000000 ] - [ -0.0011946900000000, 0.0013562900000000, -0.0003124600000000 ] - [ -0.0012086100000000, 0.0014088900000000, -0.0003475500000000 ] - [ -0.0012211800000000, 0.0014286600000000, -0.0003289400000000 ] - [ -0.0000774500000000, 0.0001722200000000, 0.0004151900000000 ] - [ -0.0000314200000000, 0.0001286800000000, 0.0003716300000000 ] - [ 0.0006218300000000, -0.0003607200000000, 0.0005576000000000 ] - [ -0.0001027000000000, 0.0002238000000000, 0.0003868200000000 ] - [ 0.0000483300000000, 0.0001081400000000, 0.0004920800000000 ] - [ -0.0000330100000000, 0.0001632200000000, 0.0004527100000000 ] - [ 0.0013750800000000, 0.0001644700000000, 0.0000869700000000 ] - [ -0.0014272700000000, 0.0006413700000000, 0.0004659100000000 ] - [ -0.0000085500000000, -0.0001703400000000, 0.0004678500000000 ] - [ -0.0000953800000000, -0.0001884900000000, 0.0007581900000000 ] - [ -0.0000391800000000, -0.0001530000000000, 0.0004811400000000 ] - [ 0.0000160500000000, -0.0001020800000000, 0.0005739000000000 ]- atom: 61 displacement: [ 0.0099976998849244, 0.0000000000000000, 0.0002144691376016 ] forces: - [ 0.0010961600000000, 0.0013722400000000, 0.0003436200000000 ] - [ 0.0002939900000000, 0.0010081700000000, 0.0002028100000000 ] - [ 0.0004262300000000, 0.0003441400000000, -0.0000467200000000 ] - [ 0.0000267000000000, 0.0003681400000000, -0.0003776700000000 ] - [ 0.0003961200000000, 0.0009985200000000, 0.0001889800000000 ] - [ 0.0004137100000000, 0.0023417400000000, 0.0002643600000000 ] - [ 0.0188922200000000, 0.0101695300000000, 0.0270273600000000 ] - [ -0.0005100900000000, -0.0008792500000000, 0.0001501800000000 ] - [ 0.0004298800000000, -0.0008887100000000, 0.0005378100000000 ] - [ 0.0004472100000000, -0.0006422500000000, 0.0005567700000000 ] - [ 0.0003873900000000, -0.0004950300000000, 0.0004383600000000 ] - [ 0.0002844700000000, -0.0008843500000000, 0.0001684300000000 ] - [ 0.0019060900000000, -0.0003670400000000, -0.0008941700000000 ] - [ 0.0005328100000000, 0.0003347900000000, 0.0000179300000000 ] - [ 0.0010850100000000, 0.0004094100000000, 0.0000236200000000 ] - [ 0.0019217600000000, -0.0005213700000000, 0.0003340600000000 ] - [ 0.0011226600000000, 0.0011438200000000, -0.0001670900000000 ] - [ 0.0011287600000000, 0.0012589600000000, -0.0000604000000000 ] - [ 0.0019511400000000, 0.0004607100000000, -0.0015808800000000 ] - [ 0.0007228800000000, -0.0011051600000000, 0.0003329400000000 ] - [ 0.0008785200000000, -0.0013155500000000, -0.0006861000000000 ] - [ 0.0011138500000000, -0.0008261200000000, -0.0001302500000000 ] - [ 0.0010022900000000, -0.0005170500000000, -0.0000786600000000 ] - [ 0.0010420100000000, -0.0006001200000000, -0.0001335000000000 ] - [ -0.0004768700000000, 0.0001077600000000, -0.0003035500000000 ] - [ -0.0003535600000000, 0.0004444300000000, -0.0008424100000000 ] - [ -0.0003519900000000, 0.0003794000000000, -0.0006826900000000 ] - [ -0.0004649500000000, 0.0002992500000000, -0.0006818900000000 ] - [ -0.0003771200000000, 0.0003263300000000, -0.0006892700000000 ] - [ -0.0003774300000000, 0.0003286900000000, -0.0006849700000000 ] - [ 0.0012218700000000, -0.0002146400000000, -0.0002701000000000 ] - [ -0.0005526600000000, -0.0003237700000000, -0.0006862800000000 ] - [ -0.0004401100000000, -0.0002789400000000, -0.0006425800000000 ] - [ -0.0004355300000000, -0.0003940100000000, -0.0005578700000000 ] - [ -0.0003855600000000, -0.0003702600000000, -0.0007157700000000 ] - [ -0.0004631500000000, -0.0003566300000000, -0.0006915200000000 ] - [ 0.0014286200000000, 0.0000187900000000, -0.0006124100000000 ] - [ 0.0060737300000000, -0.0008751300000000, 0.0056965200000000 ] - [ 0.0000930500000000, -0.0000319100000000, -0.0001829800000000 ] - [ 0.0000526500000000, 0.0000339900000000, -0.0001691200000000 ] - [ 0.0001239200000000, -0.0000554600000000, -0.0000731100000000 ] - [ 0.0000575600000000, -0.0000982000000000, -0.0001018600000000 ] - [ 0.0001098300000000, 0.0000331900000000, -0.0000812000000000 ] - [ 0.0000547600000000, -0.0009721400000000, -0.0011567600000000 ] - [ 0.0002018700000000, 0.0003822700000000, 0.0001684800000000 ] - [ 0.0000590900000000, 0.0001247100000000, -0.0000653800000000 ] - [ 0.0000463100000000, -0.0002899100000000, -0.0001784400000000 ] - [ 0.0000536800000000, -0.0000422100000000, -0.0001425500000000 ] - [ -0.0002358300000000, -0.0006279700000000, -0.0007043800000000 ] - [ 0.0011777700000000, -0.0009825200000000, -0.0005309900000000 ] - [ 0.0004982400000000, -0.0008456300000000, -0.0003339200000000 ] - [ 0.0005089900000000, -0.0009863000000000, -0.0003594400000000 ] - [ 0.0005391700000000, -0.0011119900000000, -0.0002351300000000 ] - [ 0.0005494500000000, -0.0010208700000000, -0.0002484900000000 ] - [ 0.0003337500000000, 0.0009043900000000, -0.0002377000000000 ] - [ 0.0006566200000000, 0.0011006500000000, -0.0002463500000000 ] - [ 0.0005260700000000, 0.0011682200000000, -0.0002540700000000 ] - [ 0.0007533100000000, 0.0014647300000000, 0.0000009400000000 ] - [ 0.0004228600000000, 0.0008878900000000, -0.0002814200000000 ] - [ 0.0004539000000000, 0.0006925900000000, -0.0003674400000000 ] - [ -0.0291053200000000, -0.0101170800000000, -0.0317328200000000 ] - [ -0.0002732000000000, 0.0003681100000000, 0.0003569800000000 ] - [ -0.0005644800000000, 0.0003339000000000, 0.0002072300000000 ] - [ -0.0002790200000000, 0.0000218400000000, 0.0000842700000000 ] - [ -0.0005611000000000, 0.0002642100000000, 0.0002090000000000 ] - [ -0.0002871800000000, 0.0002099600000000, 0.0004682700000000 ] - [ -0.0007868000000000, -0.0005045500000000, 0.0003367200000000 ] - [ -0.0003693700000000, -0.0003044400000000, 0.0003551200000000 ] - [ -0.0005642000000000, -0.0002284700000000, 0.0004207500000000 ] - [ -0.0002535600000000, -0.0002328500000000, 0.0006745400000000 ] - [ -0.0005260000000000, -0.0003852400000000, 0.0003980600000000 ] - [ -0.0002668200000000, -0.0006228500000000, 0.0007848600000000 ] - [ 0.0002105800000000, -0.0008706400000000, 0.0005419200000000 ] - [ 0.0000990500000000, -0.0002347800000000, 0.0004872200000000 ] - [ -0.0003082000000000, 0.0018016200000000, 0.0021770200000000 ] - [ 0.0001924200000000, -0.0002198000000000, 0.0004566500000000 ] - [ 0.0000618300000000, -0.0002990500000000, 0.0004121500000000 ] - [ 0.0000533600000000, -0.0004117500000000, 0.0003829600000000 ] - [ 0.0000284300000000, 0.0005901100000000, 0.0004694100000000 ] - [ 0.0001698800000000, 0.0005094900000000, 0.0005151800000000 ] - [ 0.0000342400000000, 0.0002101200000000, 0.0004713800000000 ] - [ 0.0006143800000000, -0.0014656100000000, 0.0014865400000000 ] - [ 0.0000353200000000, -0.0000414000000000, 0.0005423400000000 ] - [ 0.0000970500000000, 0.0001417700000000, 0.0004929500000000 ] - [ -0.0005577400000000, -0.0009032100000000, -0.0001492200000000 ] - [ -0.0010673100000000, -0.0011549700000000, -0.0002596300000000 ] - [ -0.0013542900000000, -0.0014587800000000, -0.0003766500000000 ] - [ -0.0011112500000000, -0.0011817100000000, -0.0003748900000000 ] - [ -0.0012343200000000, -0.0014462400000000, -0.0003526500000000 ] - [ -0.0012876500000000, -0.0014536400000000, -0.0003523800000000 ] - [ -0.0010767300000000, 0.0013429200000000, -0.0003457400000000 ] - [ -0.0011537300000000, 0.0012261800000000, -0.0002627900000000 ] - [ -0.0011092200000000, 0.0013898500000000, -0.0003344600000000 ] - [ -0.0013965000000000, 0.0013740100000000, -0.0003807500000000 ] - [ -0.0011002400000000, 0.0013039400000000, -0.0003357300000000 ] - [ -0.0010787400000000, 0.0012709700000000, -0.0003418200000000 ] - [ 0.0000145400000000, 0.0001257400000000, 0.0004782800000000 ] - [ -0.0001918100000000, 0.0003357500000000, 0.0004378600000000 ] - [ -0.0012587800000000, 0.0013480000000000, -0.0006958000000000 ] - [ -0.0001125400000000, 0.0002308500000000, 0.0004071700000000 ] - [ 0.0000443400000000, 0.0000731700000000, 0.0005618800000000 ] - [ -0.0000864000000000, 0.0001887500000000, 0.0004504900000000 ] - [ -0.0000151200000000, -0.0001737700000000, 0.0004735500000000 ] - [ -0.0002486500000000, -0.0003704600000000, 0.0004776400000000 ] - [ -0.0000015400000000, -0.0001345800000000, 0.0004758300000000 ] - [ -0.0000803700000000, -0.0001060600000000, 0.0006042900000000 ] - [ 0.0000339400000000, -0.0001006500000000, 0.0005109600000000 ] - [ -0.0000952300000000, -0.0002256200000000, 0.0004001400000000 ]- atom: 61 displacement: [ -0.0099976998849244, 0.0000000000000000, -0.0002144691376016 ] forces: - [ -0.0003556300000000, 0.0003571200000000, 0.0002029600000000 ] - [ 0.0004440700000000, 0.0007224100000000, 0.0003411700000000 ] - [ 0.0003121300000000, 0.0013848400000000, 0.0005887700000000 ] - [ 0.0007134700000000, 0.0013653000000000, 0.0009287400000000 ] - [ 0.0003385900000000, 0.0007302200000000, 0.0003571200000000 ] - [ 0.0003198600000000, -0.0006244300000000, 0.0002820800000000 ] - [ -0.0181280300000000, -0.0116346900000000, -0.0258782300000000 ] - [ 0.0012464600000000, -0.0008531400000000, 0.0003916500000000 ] - [ 0.0003038700000000, -0.0008395300000000, 0.0000010400000000 ] - [ 0.0002872000000000, -0.0010885200000000, -0.0000166600000000 ] - [ 0.0003448800000000, -0.0012467400000000, 0.0001032800000000 ] - [ 0.0004497800000000, -0.0008447600000000, 0.0003753300000000 ] - [ 0.0001755800000000, 0.0018780600000000, 0.0006060000000000 ] - [ 0.0015464100000000, 0.0012185000000000, -0.0002661200000000 ] - [ 0.0009860000000000, 0.0011422900000000, -0.0002695500000000 ] - [ 0.0001416800000000, 0.0021043200000000, -0.0005993100000000 ] - [ 0.0009435300000000, 0.0004013600000000, -0.0000777700000000 ] - [ 0.0009369100000000, 0.0002835300000000, -0.0001843200000000 ] - [ 0.0001358200000000, -0.0020178500000000, 0.0013420100000000 ] - [ 0.0013394500000000, -0.0004331300000000, -0.0005846400000000 ] - [ 0.0011974000000000, -0.0002213800000000, 0.0004558600000000 ] - [ 0.0009486900000000, -0.0007174000000000, -0.0001137000000000 ] - [ 0.0010650900000000, -0.0010301400000000, -0.0001633400000000 ] - [ 0.0010237900000000, -0.0009461000000000, -0.0001101400000000 ] - [ -0.0003428800000000, 0.0005552500000000, -0.0010673000000000 ] - [ -0.0004660900000000, 0.0002156700000000, -0.0005248800000000 ] - [ -0.0004672100000000, 0.0002821400000000, -0.0006872000000000 ] - [ -0.0003522900000000, 0.0003629200000000, -0.0006889300000000 ] - [ -0.0004411800000000, 0.0003363200000000, -0.0006817900000000 ] - [ -0.0004407800000000, 0.0003334300000000, -0.0006859100000000 ] - [ -0.0019431600000000, -0.0004842800000000, -0.0011144900000000 ] - [ -0.0002657200000000, -0.0003374600000000, -0.0006829300000000 ] - [ -0.0003783600000000, -0.0003835400000000, -0.0007275200000000 ] - [ -0.0003826500000000, -0.0002683300000000, -0.0008142300000000 ] - [ -0.0004321500000000, -0.0002922200000000, -0.0006551300000000 ] - [ -0.0003549800000000, -0.0003056900000000, -0.0006791600000000 ] - [ -0.0013313400000000, -0.0000403000000000, 0.0003901400000000 ] - [ -0.0058307100000000, 0.0008379400000000, -0.0058653900000000 ] - [ 0.0000516000000000, 0.0000065900000000, -0.0000546800000000 ] - [ 0.0000808600000000, -0.0000570700000000, -0.0000701800000000 ] - [ 0.0000263700000000, 0.0000282300000000, -0.0001651300000000 ] - [ 0.0000788700000000, 0.0000785100000000, -0.0001379700000000 ] - [ 0.0000413400000000, -0.0000049600000000, -0.0001578800000000 ] - [ 0.0000932000000000, 0.0009925300000000, 0.0009098700000000 ] - [ -0.0000584600000000, -0.0003591600000000, -0.0004107200000000 ] - [ 0.0000692500000000, -0.0001052000000000, -0.0001748300000000 ] - [ 0.0000942000000000, 0.0003170900000000, -0.0000605100000000 ] - [ 0.0000892400000000, 0.0000671000000000, -0.0000963800000000 ] - [ 0.0012608000000000, -0.0013456200000000, 0.0001089500000000 ] - [ -0.0001408300000000, -0.0009924800000000, -0.0000338300000000 ] - [ 0.0005437400000000, -0.0011297500000000, -0.0002338400000000 ] - [ 0.0005288500000000, -0.0009914000000000, -0.0001977300000000 ] - [ 0.0005015100000000, -0.0008595700000000, -0.0003321400000000 ] - [ 0.0004843000000000, -0.0009579300000000, -0.0003052400000000 ] - [ 0.0007010700000000, 0.0010746700000000, -0.0003180800000000 ] - [ 0.0003754500000000, 0.0008770900000000, -0.0003075200000000 ] - [ 0.0005123300000000, 0.0008038700000000, -0.0003160700000000 ] - [ 0.0002824800000000, 0.0005067500000000, -0.0005627500000000 ] - [ 0.0006153300000000, 0.0010883700000000, -0.0002795300000000 ] - [ 0.0005858400000000, 0.0012853600000000, -0.0001953200000000 ] - [ 0.0280069100000000, 0.0105764300000000, 0.0318842900000000 ] - [ -0.0007007800000000, 0.0002821800000000, 0.0003545300000000 ] - [ -0.0004072100000000, 0.0003137400000000, 0.0005053200000000 ] - [ -0.0007010100000000, 0.0006256800000000, 0.0006183900000000 ] - [ -0.0004119700000000, 0.0003846400000000, 0.0005015000000000 ] - [ -0.0006941300000000, 0.0004330700000000, 0.0002267100000000 ] - [ -0.0001929500000000, -0.0001379500000000, 0.0003596000000000 ] - [ -0.0006128300000000, -0.0003376400000000, 0.0003368600000000 ] - [ -0.0004063100000000, -0.0004212100000000, 0.0002912400000000 ] - [ -0.0007265300000000, -0.0004122200000000, 0.0000218300000000 ] - [ -0.0004509400000000, -0.0002597200000000, 0.0003031000000000 ] - [ -0.0007131600000000, -0.0000215800000000, -0.0000868700000000 ] - [ -0.0000498400000000, 0.0003745000000000, 0.0003864600000000 ] - [ 0.0000617900000000, -0.0002510200000000, 0.0004412600000000 ] - [ 0.0004480900000000, -0.0023112000000000, -0.0012716800000000 ] - [ -0.0000308200000000, -0.0002865600000000, 0.0004715700000000 ] - [ 0.0000999500000000, -0.0002076500000000, 0.0005159300000000 ] - [ 0.0001082900000000, -0.0000813800000000, 0.0005461400000000 ] - [ 0.0001320000000000, -0.0000798200000000, 0.0004605100000000 ] - [ -0.0000113900000000, -0.0000181900000000, 0.0004129600000000 ] - [ 0.0001259400000000, 0.0002844900000000, 0.0004572100000000 ] - [ -0.0004597500000000, 0.0019800200000000, -0.0005687700000000 ] - [ 0.0001234900000000, 0.0005314500000000, 0.0003863300000000 ] - [ 0.0000618200000000, 0.0003428800000000, 0.0004351700000000 ] - [ -0.0017418500000000, -0.0018034500000000, -0.0005482700000000 ] - [ -0.0012236800000000, -0.0015383600000000, -0.0004227300000000 ] - [ -0.0009296500000000, -0.0012313400000000, -0.0003145000000000 ] - [ -0.0011773800000000, -0.0015165000000000, -0.0003119300000000 ] - [ -0.0010511700000000, -0.0012487200000000, -0.0003349900000000 ] - [ -0.0009985800000000, -0.0012413400000000, -0.0003345300000000 ] - [ -0.0012077200000000, 0.0013506500000000, -0.0003410400000000 ] - [ -0.0011389900000000, 0.0014738600000000, -0.0004246100000000 ] - [ -0.0011762100000000, 0.0013039700000000, -0.0003524400000000 ] - [ -0.0008916400000000, 0.0013211300000000, -0.0003081800000000 ] - [ -0.0011857900000000, 0.0013910500000000, -0.0003518500000000 ] - [ -0.0012078900000000, 0.0014249400000000, -0.0003458600000000 ] - [ -0.0000786600000000, 0.0002043100000000, 0.0004489500000000 ] - [ 0.0001252000000000, -0.0000005200000000, 0.0004922600000000 ] - [ 0.0011847200000000, -0.0010476000000000, 0.0016385300000000 ] - [ 0.0000500900000000, 0.0000975700000000, 0.0005226200000000 ] - [ -0.0001087500000000, 0.0002578600000000, 0.0003643000000000 ] - [ 0.0000238100000000, 0.0001396900000000, 0.0004777500000000 ] - [ -0.0000465300000000, -0.0001558700000000, 0.0004549800000000 ] - [ 0.0001855800000000, 0.0000421100000000, 0.0004503400000000 ] - [ -0.0000619700000000, -0.0001953200000000, 0.0004514700000000 ] - [ 0.0000171900000000, -0.0002245700000000, 0.0003202200000000 ] - [ -0.0000967900000000, -0.0002281600000000, 0.0004166700000000 ] - [ 0.0000331400000000, -0.0001033700000000, 0.0005272700000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004257200000000, 0.0002782100000000, -0.0001708200000000 ] - [ 0.0003946300000000, 0.0005647800000000, 0.0001122900000000 ] - [ 0.0003751200000000, 0.0014966300000000, 0.0001127800000000 ] - [ 0.0004428500000000, 0.0013767500000000, 0.0003906500000000 ] - [ 0.0003556500000000, 0.0007501600000000, 0.0002267900000000 ] - [ 0.0001851500000000, 0.0001568100000000, -0.0000882600000000 ] - [ 0.0113837700000000, 0.0129317400000000, 0.0221872700000000 ] - [ 0.0003083500000000, -0.0005642400000000, 0.0003407300000000 ] - [ 0.0004534300000000, -0.0015113400000000, 0.0004794800000000 ] - [ 0.0003760700000000, -0.0011242800000000, 0.0003171100000000 ] - [ 0.0002333900000000, -0.0016479200000000, 0.0000605500000000 ] - [ 0.0004821800000000, -0.0008212700000000, 0.0005304700000000 ] - [ -0.0002376800000000, 0.0003894300000000, -0.0005588700000000 ] - [ 0.0009955000000000, 0.0007606100000000, -0.0001601700000000 ] - [ 0.0010734200000000, 0.0012938800000000, 0.0001064700000000 ] - [ -0.0009943200000000, 0.0015392200000000, -0.0020218100000000 ] - [ 0.0009375200000000, 0.0002762700000000, -0.0001124200000000 ] - [ 0.0008965200000000, 0.0002978800000000, -0.0001995000000000 ] - [ 0.0010917500000000, -0.0001623700000000, 0.0001076400000000 ] - [ 0.0009431900000000, -0.0005738900000000, -0.0000827700000000 ] - [ -0.0001401600000000, -0.0014351300000000, -0.0021686000000000 ] - [ 0.0011437600000000, -0.0008620000000000, -0.0000170900000000 ] - [ 0.0011404000000000, -0.0013269800000000, -0.0000740400000000 ] - [ 0.0010633600000000, -0.0010863900000000, -0.0000875800000000 ] - [ -0.0004466500000000, 0.0002215900000000, -0.0006838100000000 ] - [ -0.0003802700000000, 0.0003280800000000, -0.0006910600000000 ] - [ -0.0003110000000000, 0.0003651100000000, -0.0006048400000000 ] - [ -0.0003901500000000, 0.0003873000000000, -0.0007006900000000 ] - [ -0.0003999500000000, 0.0003928200000000, -0.0007443100000000 ] - [ -0.0004990000000000, 0.0003245900000000, -0.0006502400000000 ] - [ 0.0013962000000000, 0.0000430500000000, -0.0012199800000000 ] - [ -0.0004965900000000, -0.0002869100000000, -0.0006365600000000 ] - [ -0.0003450100000000, -0.0004721500000000, -0.0007418000000000 ] - [ -0.0002239000000000, -0.0004521000000000, -0.0006026400000000 ] - [ -0.0004194100000000, -0.0002879200000000, -0.0006372700000000 ] - [ -0.0003566800000000, -0.0002999100000000, -0.0006727600000000 ] - [ -0.0000330500000000, -0.0000897300000000, 0.0000495800000000 ] - [ -0.0006168300000000, -0.0012018100000000, -0.0002007800000000 ] - [ 0.0000363700000000, 0.0000250500000000, -0.0001175500000000 ] - [ 0.0000419500000000, 0.0001943700000000, -0.0001300900000000 ] - [ 0.0000216700000000, 0.0000661000000000, -0.0002340400000000 ] - [ -0.0000819200000000, 0.0002964400000000, -0.0002185800000000 ] - [ 0.0000942800000000, 0.0000807900000000, -0.0000877600000000 ] - [ 0.0001098600000000, 0.0011108000000000, 0.0010219900000000 ] - [ 0.0000526100000000, -0.0002038900000000, -0.0001911100000000 ] - [ 0.0000215600000000, -0.0001697700000000, -0.0001668000000000 ] - [ 0.0001807500000000, 0.0002142100000000, 0.0000099700000000 ] - [ 0.0000838200000000, 0.0001046900000000, -0.0000513600000000 ] - [ 0.0009720700000000, -0.0020128500000000, -0.0005432800000000 ] - [ 0.0005971600000000, -0.0010547500000000, -0.0002986700000000 ] - [ 0.0005166400000000, -0.0007279700000000, -0.0003118800000000 ] - [ 0.0004992100000000, -0.0009306800000000, -0.0003192400000000 ] - [ 0.0005286300000000, -0.0006482200000000, -0.0005105800000000 ] - [ 0.0004707900000000, -0.0009229200000000, -0.0003634800000000 ] - [ 0.0007809100000000, 0.0012533000000000, -0.0001313300000000 ] - [ 0.0004979400000000, 0.0010639000000000, -0.0001736800000000 ] - [ 0.0004930400000000, 0.0008851700000000, -0.0004484900000000 ] - [ 0.0003735800000000, 0.0007109600000000, -0.0003839600000000 ] - [ 0.0005911900000000, 0.0011027200000000, -0.0002235300000000 ] - [ 0.0005691300000000, 0.0011989300000000, -0.0001270300000000 ] - [ -0.0103604700000000, -0.0245483300000000, -0.0237316800000000 ] - [ -0.0004476300000000, 0.0002121800000000, 0.0003128200000000 ] - [ -0.0005458200000000, 0.0004495300000000, 0.0002009500000000 ] - [ -0.0006061000000000, 0.0004576600000000, 0.0003532400000000 ] - [ -0.0004824400000000, 0.0004454200000000, 0.0004287100000000 ] - [ -0.0007906900000000, 0.0004577000000000, 0.0001061600000000 ] - [ -0.0003164500000000, -0.0002902200000000, 0.0005984200000000 ] - [ -0.0005061200000000, -0.0002794500000000, 0.0004237400000000 ] - [ -0.0005904000000000, -0.0005550000000000, 0.0005022300000000 ] - [ -0.0005857200000000, -0.0004604100000000, 0.0003010300000000 ] - [ -0.0004319700000000, -0.0002545100000000, 0.0003603300000000 ] - [ -0.0001933100000000, 0.0000929200000000, 0.0004766100000000 ] - [ -0.0001072900000000, 0.0010099300000000, 0.0001604400000000 ] - [ 0.0000579900000000, -0.0002707700000000, 0.0004027600000000 ] - [ 0.0025495300000000, 0.0063419100000000, 0.0058327600000000 ] - [ 0.0000937200000000, -0.0004744100000000, 0.0004173100000000 ] - [ 0.0000945800000000, 0.0000322300000000, 0.0005071000000000 ] - [ 0.0000953200000000, -0.0000639400000000, 0.0005058800000000 ] - [ 0.0001363400000000, -0.0001979600000000, 0.0005924900000000 ] - [ 0.0000307600000000, -0.0000393100000000, 0.0005246100000000 ] - [ 0.0000972200000000, 0.0002774600000000, 0.0004698900000000 ] - [ -0.0002186300000000, 0.0012059300000000, -0.0000902800000000 ] - [ 0.0001297900000000, 0.0005843300000000, 0.0004262200000000 ] - [ 0.0000551800000000, 0.0004729900000000, 0.0004267400000000 ] - [ -0.0009242100000000, -0.0010757800000000, -0.0000580200000000 ] - [ -0.0015632600000000, -0.0014592200000000, -0.0001063600000000 ] - [ -0.0010372500000000, -0.0016121000000000, -0.0000115000000000 ] - [ -0.0012187200000000, -0.0015075300000000, -0.0003619200000000 ] - [ -0.0010256500000000, -0.0012509400000000, -0.0003378700000000 ] - [ -0.0009579800000000, -0.0012224600000000, -0.0003485200000000 ] - [ -0.0010840100000000, 0.0012492000000000, -0.0003313800000000 ] - [ -0.0010770300000000, 0.0012187500000000, -0.0003481200000000 ] - [ -0.0011003900000000, 0.0014820400000000, -0.0004244100000000 ] - [ -0.0009584700000000, 0.0012762500000000, -0.0002695000000000 ] - [ -0.0011853800000000, 0.0013810500000000, -0.0003534000000000 ] - [ -0.0013078800000000, 0.0014846200000000, -0.0003468900000000 ] - [ -0.0000582600000000, 0.0000832800000000, 0.0004722100000000 ] - [ 0.0001288000000000, 0.0000890000000000, 0.0006289800000000 ] - [ -0.0001384300000000, 0.0040486400000000, 0.0005498100000000 ] - [ -0.0000534800000000, 0.0001786700000000, 0.0004677200000000 ] - [ 0.0000396600000000, 0.0001381100000000, 0.0004784100000000 ] - [ -0.0000043900000000, 0.0001749600000000, 0.0004551000000000 ] - [ -0.0000118700000000, -0.0001271800000000, 0.0004800100000000 ] - [ 0.0000043400000000, -0.0001543800000000, 0.0004071600000000 ] - [ -0.0000780100000000, -0.0002147400000000, 0.0004212100000000 ] - [ 0.0001229300000000, -0.0000910800000000, 0.0009640700000000 ] - [ -0.0000733700000000, -0.0001893000000000, 0.0004612600000000 ] - [ -0.0000021600000000, -0.0001106400000000, 0.0005108000000000 ]- atom: 61 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0011695400000000, 0.0014556900000000, 0.0007228300000000 ] - [ 0.0003447700000000, 0.0011654200000000, 0.0004341400000000 ] - [ 0.0003641100000000, 0.0002253000000000, 0.0004296600000000 ] - [ 0.0002959800000000, 0.0003473900000000, 0.0001546000000000 ] - [ 0.0003827400000000, 0.0009820000000000, 0.0003195700000000 ] - [ 0.0005492500000000, 0.0015766700000000, 0.0006301800000000 ] - [ -0.0104997300000000, -0.0147877100000000, -0.0213301700000000 ] - [ 0.0004272100000000, -0.0011629800000000, 0.0001972300000000 ] - [ 0.0002877000000000, -0.0002158200000000, 0.0000623000000000 ] - [ 0.0003639800000000, -0.0006024100000000, 0.0002299400000000 ] - [ 0.0005077900000000, -0.0000789600000000, 0.0004896900000000 ] - [ 0.0002567100000000, -0.0009122600000000, 0.0000119200000000 ] - [ 0.0023314500000000, 0.0011673800000000, 0.0003024600000000 ] - [ 0.0010801800000000, 0.0007950800000000, -0.0000938700000000 ] - [ 0.0009948600000000, 0.0002544800000000, -0.0003589300000000 ] - [ 0.0030318500000000, 0.0000090500000000, 0.0017240300000000 ] - [ 0.0011289800000000, 0.0012732300000000, -0.0001395700000000 ] - [ 0.0011711000000000, 0.0012511600000000, -0.0000500700000000 ] - [ 0.0009756700000000, -0.0014068200000000, -0.0003500500000000 ] - [ 0.0011232000000000, -0.0009792400000000, -0.0001664300000000 ] - [ 0.0021975100000000, -0.0001112600000000, 0.0019059800000000 ] - [ 0.0009199200000000, -0.0006802000000000, -0.0002328300000000 ] - [ 0.0009249100000000, -0.0002165700000000, -0.0001761100000000 ] - [ 0.0010021100000000, -0.0004590900000000, -0.0001634700000000 ] - [ -0.0003733700000000, 0.0004431500000000, -0.0006829200000000 ] - [ -0.0004392100000000, 0.0003347300000000, -0.0006730300000000 ] - [ -0.0005092600000000, 0.0002958200000000, -0.0007588600000000 ] - [ -0.0004299100000000, 0.0002745500000000, -0.0006634700000000 ] - [ -0.0004192400000000, 0.0002692300000000, -0.0006201200000000 ] - [ -0.0003200700000000, 0.0003370700000000, -0.0007139700000000 ] - [ -0.0022403900000000, -0.0007307000000000, -0.0001368000000000 ] - [ -0.0003220900000000, -0.0003758300000000, -0.0007285900000000 ] - [ -0.0004752700000000, -0.0001893700000000, -0.0006221300000000 ] - [ -0.0005909500000000, -0.0002152800000000, -0.0007577400000000 ] - [ -0.0004001100000000, -0.0003744800000000, -0.0007279100000000 ] - [ -0.0004625700000000, -0.0003621400000000, -0.0006919100000000 ] - [ 0.0001882000000000, 0.0000630400000000, -0.0002942800000000 ] - [ 0.0007443800000000, 0.0011814100000000, -0.0000691700000000 ] - [ 0.0001210000000000, -0.0000555400000000, -0.0001230900000000 ] - [ 0.0000960500000000, -0.0002154900000000, -0.0001119400000000 ] - [ 0.0001348800000000, -0.0000960700000000, -0.0000054900000000 ] - [ 0.0002354300000000, -0.0003271900000000, -0.0000207300000000 ] - [ 0.0000413600000000, -0.0000597100000000, -0.0001556100000000 ] - [ 0.0000468100000000, -0.0010901500000000, -0.0012733900000000 ] - [ 0.0001112900000000, 0.0002388800000000, -0.0000479700000000 ] - [ 0.0001265200000000, 0.0001980700000000, -0.0000742300000000 ] - [ -0.0000433500000000, -0.0001941300000000, -0.0002538000000000 ] - [ 0.0000725800000000, -0.0000748300000000, -0.0001902000000000 ] - [ 0.0000499900000000, 0.0000368800000000, -0.0000362700000000 ] - [ 0.0004306800000000, -0.0009218000000000, -0.0002570000000000 ] - [ 0.0005185700000000, -0.0012456200000000, -0.0002522900000000 ] - [ 0.0005284200000000, -0.0010519900000000, -0.0002286000000000 ] - [ 0.0004999300000000, -0.0013351400000000, -0.0000390000000000 ] - [ 0.0005558900000000, -0.0010593600000000, -0.0001841600000000 ] - [ 0.0002430100000000, 0.0007241600000000, -0.0004194300000000 ] - [ 0.0005372600000000, 0.0009074800000000, -0.0003946200000000 ] - [ 0.0005350000000000, 0.0010955000000000, -0.0001057500000000 ] - [ 0.0006506600000000, 0.0012742300000000, -0.0001580700000000 ] - [ 0.0004352700000000, 0.0008777700000000, -0.0003259300000000 ] - [ 0.0004669600000000, 0.0007718300000000, -0.0004411200000000 ] - [ 0.0093108900000000, 0.0251751300000000, 0.0241964200000000 ] - [ -0.0005365600000000, 0.0004299700000000, 0.0003839700000000 ] - [ -0.0004315900000000, 0.0001948900000000, 0.0005048300000000 ] - [ -0.0003792800000000, 0.0001774000000000, 0.0003330200000000 ] - [ -0.0005011600000000, 0.0001949500000000, 0.0002642100000000 ] - [ -0.0001938800000000, 0.0001782900000000, 0.0005839800000000 ] - [ -0.0006686300000000, -0.0003458100000000, 0.0000866800000000 ] - [ -0.0004695600000000, -0.0003652000000000, 0.0002814100000000 ] - [ -0.0003925600000000, -0.0000846600000000, 0.0001928900000000 ] - [ -0.0004030900000000, -0.0001738900000000, 0.0003806700000000 ] - [ -0.0005545800000000, -0.0003828400000000, 0.0003281900000000 ] - [ -0.0007805100000000, -0.0007396500000000, 0.0002341900000000 ] - [ 0.0002748100000000, -0.0015338800000000, 0.0007823800000000 ] - [ 0.0001007100000000, -0.0002091300000000, 0.0005247200000000 ] - [ -0.0023639600000000, -0.0067473400000000, -0.0048467500000000 ] - [ 0.0000656500000000, -0.0000191200000000, 0.0005091100000000 ] - [ 0.0000652300000000, -0.0005408500000000, 0.0004198800000000 ] - [ 0.0000631200000000, -0.0004202200000000, 0.0004208600000000 ] - [ 0.0000205100000000, 0.0006973300000000, 0.0003336600000000 ] - [ 0.0001258200000000, 0.0005193500000000, 0.0004011500000000 ] - [ 0.0000595300000000, 0.0002055000000000, 0.0004577000000000 ] - [ 0.0003759700000000, -0.0006986300000000, 0.0010156100000000 ] - [ 0.0000268800000000, -0.0001021700000000, 0.0005013600000000 ] - [ 0.0001029800000000, 0.0000327500000000, 0.0005004300000000 ] - [ -0.0013688500000000, -0.0016319400000000, -0.0006402000000000 ] - [ -0.0007098400000000, -0.0012360100000000, -0.0005894100000000 ] - [ -0.0012441700000000, -0.0010870000000000, -0.0006748300000000 ] - [ -0.0010639700000000, -0.0011882600000000, -0.0003278300000000 ] - [ -0.0012576900000000, -0.0014454300000000, -0.0003527300000000 ] - [ -0.0013253100000000, -0.0014740500000000, -0.0003420800000000 ] - [ -0.0011984400000000, 0.0014475800000000, -0.0003591600000000 ] - [ -0.0012079100000000, 0.0014810400000000, -0.0003425000000000 ] - [ -0.0011801200000000, 0.0012127600000000, -0.0002654200000000 ] - [ -0.0013208600000000, 0.0014175400000000, -0.0004206200000000 ] - [ -0.0010959900000000, 0.0013139400000000, -0.0003364400000000 ] - [ -0.0009734700000000, 0.0012103500000000, -0.0003437200000000 ] - [ 0.0000012300000000, 0.0002434000000000, 0.0004640300000000 ] - [ -0.0001897600000000, 0.0002397800000000, 0.0003043700000000 ] - [ 0.0000018200000000, -0.0036050700000000, 0.0003469400000000 ] - [ -0.0000032900000000, 0.0001476900000000, 0.0004682200000000 ] - [ -0.0000982700000000, 0.0001898500000000, 0.0004559200000000 ] - [ -0.0000540100000000, 0.0001517300000000, 0.0004804400000000 ] - [ -0.0000452100000000, -0.0001985500000000, 0.0004559200000000 ] - [ -0.0000605100000000, -0.0001694700000000, 0.0005283300000000 ] - [ 0.0000199700000000, -0.0001121300000000, 0.0005135900000000 ] - [ -0.0001781800000000, -0.0002338100000000, -0.0000246700000000 ] - [ 0.0000160900000000, -0.0001377200000000, 0.0004740500000000 ] - [ -0.0000561200000000, -0.0002169300000000, 0.0004237900000000 ]- atom: 61 displacement: [ -0.0021219046125690, 0.0000000000000000, 0.0097722832958914 ] forces: - [ -0.0005589200000000, 0.0004986400000000, -0.0004509700000000 ] - [ 0.0003213700000000, 0.0008413000000000, -0.0000969600000000 ] - [ 0.0004011300000000, 0.0011458400000000, -0.0005344200000000 ] - [ 0.0001045800000000, 0.0008240900000000, -0.0004818600000000 ] - [ 0.0003468200000000, 0.0009052500000000, 0.0000640900000000 ] - [ 0.0003100600000000, 0.0018123600000000, 0.0000005600000000 ] - [ 0.0207258300000000, 0.0169656600000000, 0.0438002400000000 ] - [ 0.0004664700000000, -0.0011750900000000, 0.0008817800000000 ] - [ 0.0005333100000000, -0.0012435700000000, 0.0006864900000000 ] - [ 0.0004818700000000, -0.0009005200000000, 0.0007077400000000 ] - [ 0.0004585500000000, -0.0001963200000000, 0.0005684600000000 ] - [ 0.0004747800000000, -0.0004991800000000, 0.0007055100000000 ] - [ -0.0005896800000000, 0.0012459600000000, -0.0011786300000000 ] - [ 0.0011295500000000, 0.0006744000000000, -0.0005064900000000 ] - [ 0.0010637500000000, 0.0009337200000000, -0.0001016500000000 ] - [ 0.0023987600000000, -0.0002607000000000, -0.0009437800000000 ] - [ 0.0009404000000000, 0.0005664700000000, -0.0000902100000000 ] - [ 0.0010199500000000, 0.0008748300000000, -0.0001266400000000 ] - [ -0.0007064800000000, 0.0020339500000000, -0.0010135100000000 ] - [ 0.0011473500000000, -0.0002991100000000, -0.0000451300000000 ] - [ 0.0003788400000000, -0.0018147400000000, -0.0013319500000000 ] - [ 0.0014158800000000, -0.0011879600000000, -0.0001176000000000 ] - [ 0.0009828300000000, -0.0007418200000000, -0.0001746700000000 ] - [ 0.0010636900000000, -0.0007413800000000, -0.0000929200000000 ] - [ -0.0002788500000000, 0.0000486600000000, -0.0005156400000000 ] - [ -0.0003954900000000, 0.0003124200000000, -0.0006776000000000 ] - [ -0.0002091400000000, 0.0004539400000000, -0.0008650100000000 ] - [ -0.0004425400000000, 0.0003594500000000, -0.0007051100000000 ] - [ -0.0003826600000000, 0.0003336800000000, -0.0007022200000000 ] - [ -0.0004177300000000, 0.0003333000000000, -0.0006773100000000 ] - [ 0.0012205900000000, -0.0012968300000000, 0.0003237000000000 ] - [ -0.0005948800000000, -0.0001789800000000, -0.0004755800000000 ] - [ -0.0004276000000000, -0.0003579300000000, -0.0006409700000000 ] - [ -0.0002071800000000, -0.0006645000000000, -0.0003875000000000 ] - [ -0.0004580500000000, -0.0002903500000000, -0.0006323900000000 ] - [ -0.0003779700000000, -0.0003502800000000, -0.0007071400000000 ] - [ -0.0008018600000000, 0.0001413300000000, 0.0002540800000000 ] - [ 0.0031544900000000, -0.0001674500000000, 0.0016924400000000 ] - [ 0.0000453500000000, 0.0000417000000000, -0.0002247600000000 ] - [ 0.0000484000000000, 0.0002128400000000, -0.0002022900000000 ] - [ 0.0000252600000000, -0.0000423000000000, -0.0001925900000000 ] - [ 0.0001406700000000, -0.0001800800000000, -0.0001349600000000 ] - [ 0.0000955000000000, 0.0000690200000000, -0.0000326700000000 ] - [ 0.0000922400000000, 0.0011777200000000, 0.0011655400000000 ] - [ 0.0001609100000000, 0.0002754800000000, 0.0001362200000000 ] - [ 0.0000397800000000, -0.0000415400000000, -0.0000309800000000 ] - [ 0.0001070900000000, -0.0001112600000000, -0.0000744700000000 ] - [ 0.0000933900000000, 0.0000422000000000, -0.0000761900000000 ] - [ 0.0018898700000000, -0.0018855700000000, 0.0082966800000000 ] - [ 0.0006335900000000, -0.0010378400000000, -0.0002922200000000 ] - [ 0.0004688600000000, -0.0007373500000000, -0.0004068700000000 ] - [ 0.0004389700000000, -0.0008446300000000, -0.0004604400000000 ] - [ 0.0005223500000000, -0.0011471900000000, -0.0002568900000000 ] - [ 0.0005749900000000, -0.0010426400000000, -0.0003783000000000 ] - [ 0.0007849600000000, 0.0012417400000000, -0.0000813400000000 ] - [ 0.0004494500000000, 0.0010152400000000, -0.0001255800000000 ] - [ 0.0001586400000000, 0.0009711700000000, 0.0002557000000000 ] - [ 0.0005849400000000, 0.0012194000000000, 0.0000016100000000 ] - [ 0.0005006300000000, 0.0010163600000000, -0.0002076800000000 ] - [ 0.0004983700000000, 0.0008572700000000, -0.0002324900000000 ] - [ -0.0247660600000000, -0.0213876100000000, -0.0599453400000000 ] - [ -0.0005180600000000, 0.0002798300000000, -0.0000168000000000 ] - [ -0.0006098200000000, 0.0004012500000000, 0.0000750600000000 ] - [ -0.0004071800000000, 0.0001522400000000, 0.0000189100000000 ] - [ -0.0006045800000000, 0.0001831300000000, 0.0000773000000000 ] - [ -0.0007843900000000, 0.0003549800000000, -0.0000645100000000 ] - [ -0.0004474800000000, -0.0005350300000000, 0.0008340100000000 ] - [ -0.0005100400000000, -0.0003922300000000, 0.0005674300000000 ] - [ -0.0004133400000000, -0.0004956200000000, 0.0009056500000000 ] - [ -0.0002334200000000, -0.0002999500000000, 0.0007940200000000 ] - [ -0.0004371100000000, -0.0003236800000000, 0.0004986700000000 ] - [ -0.0001211800000000, -0.0003839700000000, 0.0008587400000000 ] - [ 0.0001123900000000, -0.0011629000000000, 0.0005281400000000 ] - [ 0.0000629000000000, -0.0004377100000000, 0.0003335100000000 ] - [ 0.0019779800000000, 0.0040372200000000, 0.0029125100000000 ] - [ 0.0000634700000000, -0.0001177400000000, 0.0003969800000000 ] - [ 0.0000652900000000, -0.0001215500000000, 0.0004321800000000 ] - [ 0.0000614400000000, -0.0002316200000000, 0.0004062100000000 ] - [ 0.0001579300000000, -0.0001177000000000, 0.0007000200000000 ] - [ 0.0000588500000000, 0.0002450600000000, 0.0005905900000000 ] - [ 0.0000559100000000, 0.0002196600000000, 0.0004898900000000 ] - [ 0.0004281300000000, -0.0008308800000000, 0.0011413100000000 ] - [ 0.0001628000000000, 0.0004102800000000, 0.0005121200000000 ] - [ 0.0000769700000000, 0.0002580800000000, 0.0004955300000000 ] - [ -0.0009202100000000, -0.0009841400000000, 0.0007221100000000 ] - [ -0.0014366100000000, -0.0015259200000000, -0.0001898100000000 ] - [ -0.0013230400000000, -0.0014205500000000, -0.0004023500000000 ] - [ -0.0011674400000000, -0.0013121700000000, -0.0003683800000000 ] - [ -0.0011757200000000, -0.0014027000000000, -0.0003480000000000 ] - [ -0.0010184900000000, -0.0012807600000000, -0.0003552100000000 ] - [ -0.0011021000000000, 0.0013322100000000, -0.0003128500000000 ] - [ -0.0003860600000000, 0.0006463700000000, -0.0002604800000000 ] - [ -0.0012305500000000, 0.0014345900000000, -0.0003680400000000 ] - [ -0.0012676700000000, 0.0013876600000000, -0.0003052300000000 ] - [ -0.0011332800000000, 0.0013224600000000, -0.0003381600000000 ] - [ -0.0011525500000000, 0.0013232600000000, -0.0003255200000000 ] - [ 0.0000540200000000, 0.0000657800000000, 0.0005968700000000 ] - [ -0.0000448900000000, 0.0003399400000000, 0.0007672800000000 ] - [ -0.0018086100000000, 0.0014330900000000, 0.0017864200000000 ] - [ 0.0000305900000000, 0.0000686200000000, 0.0005655100000000 ] - [ 0.0000853300000000, 0.0000667100000000, 0.0005595000000000 ] - [ -0.0000406300000000, 0.0002095900000000, 0.0004235100000000 ] - [ -0.0001693600000000, -0.0003277200000000, 0.0002909200000000 ] - [ -0.0000930500000000, -0.0004856400000000, 0.0003630600000000 ] - [ -0.0000677000000000, -0.0001527100000000, 0.0004630800000000 ] - [ -0.0000139200000000, -0.0000888700000000, 0.0007451300000000 ] - [ -0.0000637300000000, -0.0001930700000000, 0.0004490300000000 ] - [ -0.0000317300000000, -0.0001678500000000, 0.0004432100000000 ]- atom: 61 displacement: [ 0.0021219046125690, 0.0000000000000000, -0.0097722832958914 ] forces: - [ 0.0013009900000000, 0.0012390700000000, 0.0010012500000000 ] - [ 0.0004123000000000, 0.0008952900000000, 0.0006379100000000 ] - [ 0.0003288100000000, 0.0005835900000000, 0.0010778200000000 ] - [ 0.0006294300000000, 0.0009067800000000, 0.0010263100000000 ] - [ 0.0003870800000000, 0.0008281800000000, 0.0004817300000000 ] - [ 0.0004226100000000, -0.0000769500000000, 0.0005465700000000 ] - [ -0.0189750600000000, -0.0179395800000000, -0.0419560600000000 ] - [ 0.0002595000000000, -0.0005586700000000, -0.0003426400000000 ] - [ 0.0002019400000000, -0.0004924900000000, -0.0001445200000000 ] - [ 0.0002488400000000, -0.0008339000000000, -0.0001614600000000 ] - [ 0.0002777900000000, -0.0015431800000000, -0.0000255300000000 ] - [ 0.0002565000000000, -0.0012380000000000, -0.0001617400000000 ] - [ 0.0026907700000000, 0.0002779300000000, 0.0009415200000000 ] - [ 0.0009366300000000, 0.0008714300000000, 0.0002570100000000 ] - [ 0.0010016900000000, 0.0006118000000000, -0.0001469400000000 ] - [ -0.0003474200000000, 0.0018260400000000, 0.0007120300000000 ] - [ 0.0011264400000000, 0.0009825100000000, -0.0001562500000000 ] - [ 0.0010458000000000, 0.0006733800000000, -0.0001194000000000 ] - [ 0.0027569500000000, -0.0035762100000000, 0.0007773100000000 ] - [ 0.0009166200000000, -0.0012500500000000, -0.0001960400000000 ] - [ 0.0016868100000000, 0.0002693200000000, 0.0010897200000000 ] - [ 0.0006486900000000, -0.0003564600000000, -0.0001289300000000 ] - [ 0.0010827500000000, -0.0008033200000000, -0.0000712100000000 ] - [ 0.0010014300000000, -0.0008044100000000, -0.0001534100000000 ] - [ -0.0005380000000000, 0.0006146600000000, -0.0008527900000000 ] - [ -0.0004229800000000, 0.0003516900000000, -0.0006900800000000 ] - [ -0.0006097600000000, 0.0002084900000000, -0.0005041500000000 ] - [ -0.0003756900000000, 0.0003036700000000, -0.0006610600000000 ] - [ -0.0004360500000000, 0.0003298900000000, -0.0006643200000000 ] - [ -0.0004003100000000, 0.0003295100000000, -0.0006891700000000 ] - [ -0.0020333600000000, 0.0006331700000000, -0.0017315200000000 ] - [ -0.0002240200000000, -0.0004831500000000, -0.0008912200000000 ] - [ -0.0003912200000000, -0.0003045800000000, -0.0007256800000000 ] - [ -0.0006165500000000, 0.0000075400000000, -0.0009847200000000 ] - [ -0.0003593900000000, -0.0003733100000000, -0.0007348200000000 ] - [ -0.0004407800000000, -0.0003133000000000, -0.0006598000000000 ] - [ 0.0009267900000000, -0.0001660700000000, -0.0004866600000000 ] - [ -0.0029946300000000, 0.0001464900000000, -0.0019441500000000 ] - [ 0.0000979300000000, -0.0000696800000000, -0.0000158700000000 ] - [ 0.0000994300000000, -0.0002410900000000, -0.0000380200000000 ] - [ 0.0001202100000000, 0.0000144600000000, -0.0000466900000000 ] - [ 0.0000044600000000, 0.0001520500000000, -0.0001048100000000 ] - [ 0.0000505300000000, -0.0000397100000000, -0.0002074800000000 ] - [ 0.0000472000000000, -0.0011582300000000, -0.0014154200000000 ] - [ -0.0000161600000000, -0.0002459800000000, -0.0003772900000000 ] - [ 0.0001081600000000, 0.0000718900000000, -0.0002082700000000 ] - [ 0.0000356600000000, 0.0001385300000000, -0.0001665700000000 ] - [ 0.0000482000000000, -0.0000141900000000, -0.0001647800000000 ] - [ -0.0008512900000000, -0.0001061300000000, -0.0087020700000000 ] - [ 0.0004021000000000, -0.0009403400000000, -0.0002692200000000 ] - [ 0.0005659700000000, -0.0012436200000000, -0.0001501600000000 ] - [ 0.0005981900000000, -0.0011348300000000, -0.0001016800000000 ] - [ 0.0005134400000000, -0.0008324700000000, -0.0003024800000000 ] - [ 0.0004616800000000, -0.0009371200000000, -0.0001810900000000 ] - [ 0.0002509100000000, 0.0007349400000000, -0.0004834700000000 ] - [ 0.0005883500000000, 0.0009660800000000, -0.0004335300000000 ] - [ 0.0008837700000000, 0.0010145600000000, -0.0008264900000000 ] - [ 0.0004522600000000, 0.0007627600000000, -0.0005613400000000 ] - [ 0.0005358200000000, 0.0009621800000000, -0.0003555500000000 ] - [ 0.0005385600000000, 0.0011214600000000, -0.0003295800000000 ] - [ 0.0227443500000000, 0.0212862600000000, 0.0592937500000000 ] - [ -0.0004599200000000, 0.0003646900000000, 0.0007201600000000 ] - [ -0.0003708800000000, 0.0002413200000000, 0.0006227000000000 ] - [ -0.0005720000000000, 0.0004918400000000, 0.0006852200000000 ] - [ -0.0003756000000000, 0.0004604600000000, 0.0006228000000000 ] - [ -0.0001921600000000, 0.0002877200000000, 0.0007687500000000 ] - [ -0.0005306100000000, -0.0001092700000000, -0.0001305100000000 ] - [ -0.0004679500000000, -0.0002503000000000, 0.0001313500000000 ] - [ -0.0005678400000000, -0.0001456900000000, -0.0002090900000000 ] - [ -0.0007460000000000, -0.0003427100000000, -0.0000932500000000 ] - [ -0.0005418300000000, -0.0003209600000000, 0.0002047600000000 ] - [ -0.0008578100000000, -0.0002617500000000, -0.0001560700000000 ] - [ 0.0000505800000000, 0.0006643400000000, 0.0004005200000000 ] - [ 0.0000990900000000, -0.0000558600000000, 0.0005949300000000 ] - [ -0.0018053200000000, -0.0045116000000000, -0.0019905300000000 ] - [ 0.0000989600000000, -0.0003782000000000, 0.0005309000000000 ] - [ 0.0000962400000000, -0.0003735100000000, 0.0004952500000000 ] - [ 0.0000999600000000, -0.0002640800000000, 0.0005207600000000 ] - [ 0.0000009800000000, 0.0006124200000000, 0.0002271200000000 ] - [ 0.0001020200000000, 0.0002479300000000, 0.0003375200000000 ] - [ 0.0001035000000000, 0.0002784300000000, 0.0004383700000000 ] - [ -0.0002666800000000, 0.0013221100000000, -0.0002112200000000 ] - [ -0.0000030400000000, 0.0000865000000000, 0.0004157200000000 ] - [ 0.0000831800000000, 0.0002336300000000, 0.0004325400000000 ] - [ -0.0013754300000000, -0.0017267500000000, -0.0014489300000000 ] - [ -0.0008455300000000, -0.0011692700000000, -0.0005016300000000 ] - [ -0.0009611000000000, -0.0012754100000000, -0.0002878500000000 ] - [ -0.0011161200000000, -0.0013834100000000, -0.0003210000000000 ] - [ -0.0011082600000000, -0.0012930100000000, -0.0003412900000000 ] - [ -0.0012670700000000, -0.0014159700000000, -0.0003345000000000 ] - [ -0.0011814700000000, 0.0013638900000000, -0.0003768000000000 ] - [ -0.0018931500000000, 0.0020465300000000, -0.0004296900000000 ] - [ -0.0010517400000000, 0.0012593400000000, -0.0003204100000000 ] - [ -0.0010154700000000, 0.0013075500000000, -0.0003839400000000 ] - [ -0.0011499300000000, 0.0013729000000000, -0.0003513600000000 ] - [ -0.0011299800000000, 0.0013718500000000, -0.0003641300000000 ] - [ -0.0001129100000000, 0.0002626500000000, 0.0003363500000000 ] - [ -0.0000121400000000, -0.0000155900000000, 0.0001589000000000 ] - [ 0.0017480000000000, -0.0011087800000000, -0.0008982400000000 ] - [ -0.0000896100000000, 0.0002613200000000, 0.0003667400000000 ] - [ -0.0001449700000000, 0.0002623400000000, 0.0003732200000000 ] - [ -0.0000186900000000, 0.0001204800000000, 0.0005101100000000 ] - [ 0.0001104600000000, -0.0000009400000000, 0.0006401100000000 ] - [ 0.0000355400000000, 0.0001572600000000, 0.0005686000000000 ] - [ 0.0000084200000000, -0.0001767900000000, 0.0004698200000000 ] - [ -0.0000445100000000, -0.0002386100000000, 0.0001874000000000 ] - [ 0.0000050900000000, -0.0001359800000000, 0.0004840900000000 ] - [ -0.0000279600000000, -0.0001617000000000, 0.0004889600000000 ]- atom: 73 displacement: [ 0.0099976998849244, 0.0000000000000000, 0.0002144691376016 ] forces: - [ 0.0004044000000000, 0.0008818000000000, 0.0002151600000000 ] - [ 0.0002908400000000, 0.0009024900000000, 0.0001499400000000 ] - [ 0.0004240400000000, 0.0008641000000000, 0.0002686700000000 ] - [ 0.0001985500000000, 0.0011633300000000, -0.0001127200000000 ] - [ 0.0002952700000000, 0.0008251100000000, 0.0001882500000000 ] - [ 0.0003638500000000, 0.0007786900000000, 0.0002461000000000 ] - [ -0.0000361700000000, -0.0006807300000000, 0.0004284900000000 ] - [ 0.0003666700000000, -0.0008216600000000, 0.0002640100000000 ] - [ 0.0003491100000000, -0.0009165200000000, 0.0003025500000000 ] - [ 0.0003963900000000, -0.0008845800000000, 0.0003054700000000 ] - [ 0.0044788400000000, -0.0076464000000000, 0.0013250700000000 ] - [ 0.0000238200000000, -0.0008445300000000, 0.0002808700000000 ] - [ 0.0012246100000000, 0.0006826000000000, -0.0001266400000000 ] - [ 0.0009094100000000, 0.0010354400000000, -0.0003799200000000 ] - [ 0.0010354700000000, 0.0007199800000000, -0.0001673900000000 ] - [ 0.0010035900000000, 0.0007035500000000, -0.0001718200000000 ] - [ 0.0009592900000000, 0.0006978900000000, -0.0001937500000000 ] - [ 0.0008717700000000, 0.0006182800000000, -0.0001737500000000 ] - [ 0.0035899500000000, -0.0006084400000000, 0.0011298500000000 ] - [ 0.0003409200000000, 0.0001115800000000, -0.0004509800000000 ] - [ 0.0010336800000000, -0.0008610400000000, -0.0000763700000000 ] - [ 0.0010440500000000, -0.0008211400000000, -0.0000730200000000 ] - [ 0.0026502400000000, -0.0006788500000000, -0.0009876500000000 ] - [ 0.0007921400000000, -0.0007946200000000, -0.0001099000000000 ] - [ -0.0008209800000000, 0.0001628400000000, -0.0007516000000000 ] - [ -0.0000745900000000, 0.0002782400000000, -0.0008111100000000 ] - [ -0.0003805100000000, 0.0003547100000000, -0.0007115600000000 ] - [ -0.0005130300000000, 0.0002957900000000, -0.0006166500000000 ] - [ -0.0006079300000000, 0.0002602100000000, -0.0004809800000000 ] - [ -0.0003991000000000, 0.0003478200000000, -0.0007044900000000 ] - [ -0.0004076000000000, -0.0000967200000000, -0.0008636600000000 ] - [ -0.0004051800000000, -0.0003457100000000, -0.0006704600000000 ] - [ -0.0004168000000000, -0.0003185000000000, -0.0006634600000000 ] - [ -0.0004119300000000, -0.0003189100000000, -0.0006647500000000 ] - [ -0.0000095700000000, -0.0004418900000000, -0.0007630300000000 ] - [ -0.0004632900000000, -0.0002809300000000, -0.0006426900000000 ] - [ 0.0000807700000000, -0.0000712500000000, -0.0000613500000000 ] - [ 0.0002201000000000, 0.0001712900000000, -0.0002102300000000 ] - [ 0.0000903500000000, 0.0000168300000000, -0.0001619800000000 ] - [ 0.0000611600000000, 0.0000144400000000, -0.0001421000000000 ] - [ 0.0002221900000000, -0.0000441700000000, -0.0001611700000000 ] - [ 0.0017544400000000, -0.0042421700000000, 0.0006846600000000 ] - [ 0.0001160500000000, 0.0000342100000000, -0.0000795300000000 ] - [ 0.0000560800000000, 0.0000167400000000, -0.0001160800000000 ] - [ 0.0001845500000000, 0.0000249100000000, -0.0000396000000000 ] - [ 0.0000487400000000, 0.0000321100000000, -0.0001041600000000 ] - [ 0.0001071700000000, 0.0000470000000000, -0.0001061400000000 ] - [ 0.0000952800000000, 0.0001009900000000, -0.0000411600000000 ] - [ 0.0004459800000000, -0.0010192900000000, -0.0005776000000000 ] - [ 0.0007096800000000, -0.0011839800000000, -0.0002332900000000 ] - [ 0.0005133400000000, -0.0009662700000000, -0.0003087600000000 ] - [ 0.0004883100000000, -0.0009666800000000, -0.0002917500000000 ] - [ -0.0004532400000000, 0.0014466400000000, -0.0019403300000000 ] - [ 0.0006665100000000, -0.0010271500000000, -0.0003060200000000 ] - [ 0.0004654900000000, 0.0009843100000000, -0.0002606100000000 ] - [ 0.0005375000000000, 0.0010065200000000, -0.0002325100000000 ] - [ 0.0005102100000000, 0.0009914100000000, -0.0002716700000000 ] - [ 0.0005157900000000, 0.0009991700000000, -0.0001898300000000 ] - [ 0.0005300900000000, 0.0010212200000000, -0.0002488300000000 ] - [ 0.0005335400000000, 0.0010423000000000, -0.0002401200000000 ] - [ -0.0003661600000000, 0.0001220400000000, 0.0004049400000000 ] - [ -0.0004736100000000, 0.0002953200000000, 0.0003335500000000 ] - [ -0.0005100400000000, 0.0003351300000000, 0.0003346700000000 ] - [ -0.0005258700000000, 0.0003314800000000, 0.0003134600000000 ] - [ -0.0008704700000000, 0.0028906500000000, 0.0022527400000000 ] - [ -0.0003830800000000, 0.0003280200000000, 0.0003507500000000 ] - [ -0.0005482100000000, -0.0003757200000000, 0.0004184800000000 ] - [ -0.0003997800000000, -0.0002734300000000, 0.0003548200000000 ] - [ -0.0005366900000000, -0.0003372600000000, 0.0003190600000000 ] - [ 0.0000519000000000, -0.0000061500000000, 0.0008323800000000 ] - [ -0.0005395000000000, -0.0003654600000000, 0.0004223300000000 ] - [ -0.0004766000000000, -0.0002913500000000, 0.0003475900000000 ] - [ -0.0101582400000000, 0.0049196200000000, -0.0045152700000000 ] - [ 0.0001450300000000, -0.0002143600000000, 0.0004775500000000 ] - [ 0.0000999500000000, -0.0002091300000000, 0.0004444600000000 ] - [ 0.0000706300000000, -0.0002608000000000, 0.0004464200000000 ] - [ 0.0000997700000000, -0.0002435600000000, 0.0004507300000000 ] - [ 0.0000698900000000, -0.0002044300000000, 0.0004709600000000 ] - [ 0.0000484900000000, 0.0002455800000000, 0.0004706700000000 ] - [ 0.0001361400000000, 0.0000382500000000, 0.0005862800000000 ] - [ 0.0000811600000000, 0.0002484600000000, 0.0004677200000000 ] - [ 0.0000777700000000, 0.0002761900000000, 0.0004594500000000 ] - [ 0.0000702800000000, 0.0002166400000000, 0.0004646000000000 ] - [ 0.0000918600000000, 0.0002054200000000, 0.0004913400000000 ] - [ -0.0011643800000000, -0.0013722400000000, -0.0003331900000000 ] - [ -0.0011796800000000, -0.0013546400000000, -0.0003500300000000 ] - [ -0.0011173900000000, -0.0013322000000000, -0.0003416700000000 ] - [ -0.0011227900000000, -0.0013407500000000, -0.0003451200000000 ] - [ -0.0010055100000000, -0.0012340200000000, -0.0003158000000000 ] - [ -0.0011718100000000, -0.0013423700000000, -0.0003220900000000 ] - [ -0.0006873100000000, 0.0004409000000000, 0.0000501000000000 ] - [ 0.0009741100000000, 0.0018126300000000, 0.0015758900000000 ] - [ -0.0011210900000000, 0.0013322100000000, -0.0003511200000000 ] - [ -0.0011630100000000, 0.0013789800000000, -0.0003344400000000 ] - [ -0.0010631200000000, 0.0012941400000000, -0.0003474100000000 ] - [ -0.0015008400000000, 0.0015131700000000, -0.0002497800000000 ] - [ -0.0001544200000000, 0.0001453700000000, 0.0004096600000000 ] - [ -0.0000704800000000, 0.0001962400000000, 0.0004625900000000 ] - [ -0.0000311500000000, 0.0001833400000000, 0.0004522700000000 ] - [ -0.0000286200000000, 0.0001713200000000, 0.0004665500000000 ] - [ 0.0000004000000000, 0.0001436100000000, 0.0004937000000000 ] - [ -0.0000275000000000, 0.0001727500000000, 0.0004842300000000 ] - [ 0.0000173700000000, -0.0001739900000000, 0.0004753000000000 ] - [ -0.0001216700000000, -0.0003965400000000, 0.0010186900000000 ] - [ -0.0000248600000000, -0.0001559800000000, 0.0004750200000000 ] - [ -0.0000287400000000, -0.0001776800000000, 0.0004634500000000 ] - [ 0.0000205900000000, -0.0001203000000000, 0.0005305900000000 ] - [ -0.0000830000000000, -0.0002074700000000, 0.0004369400000000 ]- atom: 73 displacement: [ -0.0099976998849244, 0.0000000000000000, -0.0002144691376016 ] forces: - [ 0.0003251500000000, 0.0008560800000000, 0.0003336800000000 ] - [ 0.0004381900000000, 0.0008379600000000, 0.0003937200000000 ] - [ 0.0002996700000000, 0.0008762500000000, 0.0002764000000000 ] - [ 0.0005290000000000, 0.0005775600000000, 0.0006624300000000 ] - [ 0.0004321400000000, 0.0009125900000000, 0.0003601600000000 ] - [ 0.0003621800000000, 0.0009578900000000, 0.0003014600000000 ] - [ 0.0007482300000000, -0.0010724700000000, 0.0001161800000000 ] - [ 0.0003616100000000, -0.0009188000000000, 0.0002822300000000 ] - [ 0.0003807900000000, -0.0008295800000000, 0.0002429500000000 ] - [ 0.0003310900000000, -0.0008534600000000, 0.0002433400000000 ] - [ -0.0038566400000000, 0.0061883600000000, -0.0007902800000000 ] - [ 0.0007041100000000, -0.0008923200000000, 0.0002660900000000 ] - [ 0.0008431800000000, 0.0008618000000000, -0.0001285400000000 ] - [ 0.0011586900000000, 0.0005058700000000, 0.0001269600000000 ] - [ 0.0010308300000000, 0.0008217300000000, -0.0000868200000000 ] - [ 0.0010623700000000, 0.0008394600000000, -0.0000804900000000 ] - [ 0.0011085600000000, 0.0008435500000000, -0.0000610100000000 ] - [ 0.0011934100000000, 0.0009234000000000, -0.0000807500000000 ] - [ -0.0015266300000000, -0.0009078400000000, -0.0013454000000000 ] - [ 0.0017267400000000, -0.0016668500000000, 0.0002102300000000 ] - [ 0.0010318000000000, -0.0006836200000000, -0.0001775200000000 ] - [ 0.0010235200000000, -0.0007241800000000, -0.0001796000000000 ] - [ -0.0005791500000000, -0.0008710100000000, 0.0007381800000000 ] - [ 0.0012730100000000, -0.0007477900000000, -0.0001437000000000 ] - [ -0.0000070000000000, 0.0004933400000000, -0.0006101200000000 ] - [ -0.0007562600000000, 0.0003838400000000, -0.0005406100000000 ] - [ -0.0004457500000000, 0.0003041900000000, -0.0006411800000000 ] - [ -0.0003128500000000, 0.0003634800000000, -0.0007363600000000 ] - [ -0.0002192900000000, 0.0004002700000000, -0.0008728000000000 ] - [ -0.0004266000000000, 0.0003114000000000, -0.0006480800000000 ] - [ -0.0004230400000000, -0.0005598400000000, -0.0004882700000000 ] - [ -0.0004205300000000, -0.0003131300000000, -0.0006821100000000 ] - [ -0.0004096400000000, -0.0003399400000000, -0.0006886200000000 ] - [ -0.0004140800000000, -0.0003396600000000, -0.0006886400000000 ] - [ -0.0008169800000000, -0.0002174900000000, -0.0005893200000000 ] - [ -0.0003630600000000, -0.0003777400000000, -0.0007099600000000 ] - [ 0.0000798800000000, 0.0000342600000000, -0.0001839000000000 ] - [ -0.0000505400000000, -0.0002114000000000, -0.0000331000000000 ] - [ 0.0000874500000000, -0.0000607900000000, -0.0000800300000000 ] - [ 0.0000954000000000, -0.0000508400000000, -0.0001025000000000 ] - [ -0.0000516100000000, 0.0000016400000000, -0.0000814600000000 ] - [ -0.0015734300000000, 0.0041840900000000, -0.0009272200000000 ] - [ 0.0000433200000000, 0.0000050500000000, -0.0001642900000000 ] - [ 0.0001086300000000, 0.0000235000000000, -0.0001274200000000 ] - [ -0.0000058900000000, 0.0000203600000000, -0.0002026100000000 ] - [ 0.0001051900000000, 0.0000046300000000, -0.0001396600000000 ] - [ 0.0000573800000000, -0.0000056200000000, -0.0001366800000000 ] - [ 0.0000793100000000, -0.0000553300000000, -0.0002010800000000 ] - [ 0.0005835800000000, -0.0009595200000000, 0.0000140400000000 ] - [ 0.0003180600000000, -0.0007956200000000, -0.0003398700000000 ] - [ 0.0005183200000000, -0.0010138800000000, -0.0002667700000000 ] - [ 0.0005340200000000, -0.0010213100000000, -0.0002642300000000 ] - [ 0.0014889800000000, -0.0034165200000000, 0.0013713200000000 ] - [ 0.0003588800000000, -0.0009603200000000, -0.0002553500000000 ] - [ 0.0005618800000000, 0.0010001700000000, -0.0003063500000000 ] - [ 0.0004931800000000, 0.0009758900000000, -0.0003388000000000 ] - [ 0.0005231200000000, 0.0009887300000000, -0.0003059600000000 ] - [ 0.0005069500000000, 0.0009886900000000, -0.0003662500000000 ] - [ 0.0004943900000000, 0.0009660000000000, -0.0003118900000000 ] - [ 0.0004954200000000, 0.0009424400000000, -0.0003272200000000 ] - [ -0.0006262000000000, 0.0005149300000000, 0.0002939200000000 ] - [ -0.0005142100000000, 0.0003363000000000, 0.0003724900000000 ] - [ -0.0004761200000000, 0.0002979700000000, 0.0003756600000000 ] - [ -0.0004700300000000, 0.0002935200000000, 0.0003772000000000 ] - [ -0.0001078800000000, -0.0022557300000000, -0.0015518200000000 ] - [ -0.0006092600000000, 0.0002979900000000, 0.0003472300000000 ] - [ -0.0004407800000000, -0.0002531600000000, 0.0002849700000000 ] - [ -0.0005879000000000, -0.0003591500000000, 0.0003528400000000 ] - [ -0.0004465700000000, -0.0002960900000000, 0.0003960700000000 ] - [ -0.0010478700000000, -0.0006186800000000, -0.0001421600000000 ] - [ -0.0004541600000000, -0.0002589700000000, 0.0002727000000000 ] - [ -0.0005123800000000, -0.0003374900000000, 0.0003560000000000 ] - [ 0.0103578200000000, -0.0057038400000000, 0.0053667400000000 ] - [ 0.0000085000000000, -0.0002458300000000, 0.0004438500000000 ] - [ 0.0000547500000000, -0.0002536600000000, 0.0004774600000000 ] - [ 0.0000836600000000, -0.0002094800000000, 0.0004748200000000 ] - [ 0.0000542300000000, -0.0002286100000000, 0.0004702900000000 ] - [ 0.0000835200000000, -0.0002470100000000, 0.0004507400000000 ] - [ 0.0001041700000000, 0.0002295100000000, 0.0004519600000000 ] - [ 0.0000160200000000, 0.0004114600000000, 0.0003363400000000 ] - [ 0.0000693100000000, 0.0002061500000000, 0.0004536500000000 ] - [ 0.0000749000000000, 0.0001917200000000, 0.0004616500000000 ] - [ 0.0000818200000000, 0.0002485500000000, 0.0004572900000000 ] - [ 0.0000609700000000, 0.0002639800000000, 0.0004309900000000 ] - [ -0.0011102400000000, -0.0013221500000000, -0.0003668300000000 ] - [ -0.0010954200000000, -0.0013409100000000, -0.0003500700000000 ] - [ -0.0011567300000000, -0.0013618500000000, -0.0003578100000000 ] - [ -0.0011504800000000, -0.0013536800000000, -0.0003542100000000 ] - [ -0.0012681300000000, -0.0014604900000000, -0.0003841400000000 ] - [ -0.0011022900000000, -0.0013521900000000, -0.0003776800000000 ] - [ -0.0015982500000000, 0.0022687400000000, -0.0007532500000000 ] - [ -0.0031916400000000, 0.0008851200000000, -0.0022260200000000 ] - [ -0.0011539600000000, 0.0013628900000000, -0.0003484600000000 ] - [ -0.0011102000000000, 0.0013157000000000, -0.0003653800000000 ] - [ -0.0012105600000000, 0.0014004700000000, -0.0003519800000000 ] - [ -0.0007751700000000, 0.0011840500000000, -0.0004509500000000 ] - [ 0.0000993100000000, 0.0001863000000000, 0.0005317400000000 ] - [ 0.0000206900000000, 0.0001303200000000, 0.0004831600000000 ] - [ -0.0000157800000000, 0.0001409000000000, 0.0004950600000000 ] - [ -0.0000213100000000, 0.0001560600000000, 0.0004788100000000 ] - [ -0.0000506300000000, 0.0001834400000000, 0.0004510800000000 ] - [ -0.0000227000000000, 0.0001546900000000, 0.0004613600000000 ] - [ -0.0000687800000000, -0.0001534300000000, 0.0004687200000000 ] - [ 0.0000723000000000, 0.0000709100000000, -0.0000730300000000 ] - [ -0.0000260900000000, -0.0001709900000000, 0.0004696200000000 ] - [ -0.0000206400000000, -0.0001496400000000, 0.0004817300000000 ] - [ -0.0000711000000000, -0.0002071900000000, 0.0004140100000000 ] - [ 0.0000328500000000, -0.0001190500000000, 0.0005070700000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004299900000000, 0.0013834000000000, 0.0000608200000000 ] - [ 0.0003363400000000, 0.0011518400000000, 0.0001976300000000 ] - [ 0.0004659600000000, 0.0008580000000000, 0.0001534200000000 ] - [ -0.0001175200000000, 0.0017251600000000, -0.0009027300000000 ] - [ 0.0002713100000000, 0.0003489400000000, 0.0003047700000000 ] - [ 0.0003487700000000, 0.0002506500000000, 0.0002464100000000 ] - [ 0.0008563700000000, -0.0018664100000000, 0.0011563200000000 ] - [ 0.0004139300000000, -0.0011657100000000, 0.0006448000000000 ] - [ 0.0003802800000000, -0.0020318100000000, 0.0003316800000000 ] - [ 0.0004744200000000, -0.0013283000000000, 0.0003620000000000 ] - [ -0.0048779400000000, 0.0737579300000000, -0.0019146000000000 ] - [ 0.0002082600000000, 0.0000150600000000, 0.0001837000000000 ] - [ 0.0007487400000000, 0.0017493100000000, 0.0000942100000000 ] - [ 0.0011226300000000, 0.0012939300000000, -0.0003665900000000 ] - [ 0.0010460200000000, 0.0002467900000000, -0.0001410800000000 ] - [ 0.0008177700000000, 0.0003710100000000, -0.0002946700000000 ] - [ 0.0012200600000000, 0.0004024900000000, -0.0006993800000000 ] - [ 0.0005239300000000, 0.0003047400000000, -0.0003443100000000 ] - [ -0.0020970600000000, 0.0001503600000000, -0.0058615200000000 ] - [ 0.0012284800000000, -0.0008125900000000, 0.0000896800000000 ] - [ 0.0012455900000000, -0.0019075500000000, -0.0000617300000000 ] - [ 0.0011831300000000, -0.0014607400000000, 0.0000067200000000 ] - [ 0.0026338500000000, -0.0032336700000000, 0.0018013200000000 ] - [ 0.0006275100000000, -0.0008627100000000, -0.0001880100000000 ] - [ -0.0003848100000000, -0.0000209100000000, -0.0003166600000000 ] - [ -0.0004298200000000, 0.0004326500000000, -0.0007064100000000 ] - [ -0.0003009500000000, 0.0004968100000000, -0.0008461600000000 ] - [ -0.0006948100000000, 0.0002902700000000, -0.0005435100000000 ] - [ -0.0006620700000000, 0.0007489800000000, -0.0010568000000000 ] - [ -0.0004297700000000, 0.0003116900000000, -0.0006819400000000 ] - [ -0.0001338800000000, -0.0006759300000000, -0.0009416800000000 ] - [ -0.0004040900000000, -0.0004010400000000, -0.0006591200000000 ] - [ -0.0003753800000000, -0.0003072200000000, -0.0006537500000000 ] - [ -0.0003748400000000, -0.0002896100000000, -0.0006663800000000 ] - [ 0.0001823200000000, -0.0005177300000000, -0.0008760500000000 ] - [ -0.0004136400000000, -0.0002961400000000, -0.0006410000000000 ] - [ 0.0000538700000000, -0.0000182900000000, -0.0001425400000000 ] - [ 0.0003506100000000, 0.0012373300000000, 0.0000267600000000 ] - [ 0.0000350100000000, 0.0002360700000000, -0.0003050500000000 ] - [ -0.0000334800000000, 0.0003504600000000, -0.0002815700000000 ] - [ 0.0002070800000000, -0.0001751400000000, -0.0001371200000000 ] - [ -0.0025083300000000, 0.0053435800000000, -0.0013014600000000 ] - [ 0.0000488400000000, -0.0000747800000000, -0.0001407100000000 ] - [ -0.0000099100000000, -0.0001930600000000, -0.0002070800000000 ] - [ 0.0003571200000000, 0.0000655000000000, 0.0001564700000000 ] - [ 0.0000174600000000, 0.0001167600000000, -0.0000027100000000 ] - [ 0.0001519100000000, 0.0001895300000000, -0.0000361400000000 ] - [ 0.0001146300000000, 0.0003231500000000, 0.0001090700000000 ] - [ 0.0004907700000000, 0.0003173500000000, -0.0000386500000000 ] - [ 0.0005716700000000, -0.0009603000000000, -0.0004200500000000 ] - [ 0.0004001700000000, -0.0005907200000000, -0.0004973200000000 ] - [ 0.0003522800000000, -0.0007492700000000, -0.0003857700000000 ] - [ 0.0010362200000000, 0.0055455800000000, -0.0041618900000000 ] - [ 0.0005423100000000, -0.0011498400000000, -0.0002129200000000 ] - [ 0.0003522000000000, 0.0008552800000000, -0.0002742900000000 ] - [ 0.0004748700000000, 0.0009120200000000, -0.0002747400000000 ] - [ 0.0005529900000000, 0.0010706300000000, -0.0002053900000000 ] - [ 0.0005525600000000, 0.0010381700000000, 0.0000004100000000 ] - [ 0.0005839200000000, 0.0011293900000000, -0.0002136500000000 ] - [ 0.0006125900000000, 0.0011987200000000, -0.0001665000000000 ] - [ -0.0010928000000000, 0.0016161300000000, -0.0007356100000000 ] - [ -0.0004675300000000, 0.0002979200000000, 0.0001540900000000 ] - [ -0.0005356500000000, 0.0006210100000000, 0.0004693900000000 ] - [ -0.0006522900000000, 0.0005027900000000, 0.0003138600000000 ] - [ 0.0014483200000000, 0.0068158000000000, 0.0050891200000000 ] - [ -0.0004688800000000, 0.0000916600000000, 0.0004661500000000 ] - [ -0.0008396500000000, -0.0007690600000000, 0.0006315000000000 ] - [ -0.0007443500000000, -0.0006054200000000, 0.0002806800000000 ] - [ -0.0004461000000000, -0.0002940300000000, 0.0003816100000000 ] - [ 0.0012064700000000, 0.0006399200000000, 0.0018036000000000 ] - [ -0.0001936600000000, 0.0000182500000000, 0.0002385000000000 ] - [ -0.0003802200000000, -0.0001098600000000, 0.0003534500000000 ] - [ 0.0051698200000000, -0.0967819100000000, 0.0040246800000000 ] - [ 0.0000948100000000, -0.0007367400000000, 0.0003455500000000 ] - [ 0.0000727800000000, 0.0002833200000000, 0.0004886600000000 ] - [ 0.0000990100000000, -0.0000193500000000, 0.0004836300000000 ] - [ 0.0000965200000000, 0.0002718100000000, 0.0004797900000000 ] - [ 0.0000523800000000, -0.0000013400000000, 0.0004846000000000 ] - [ 0.0000676000000000, 0.0001840600000000, 0.0005328300000000 ] - [ 0.0002559600000000, -0.0003087100000000, 0.0008463500000000 ] - [ 0.0000591200000000, 0.0005846300000000, 0.0003825100000000 ] - [ 0.0000360200000000, 0.0006861400000000, 0.0003373600000000 ] - [ 0.0000862900000000, -0.0000807300000000, 0.0005451000000000 ] - [ 0.0001092300000000, 0.0000360800000000, 0.0005325600000000 ] - [ -0.0012977200000000, -0.0015348800000000, -0.0003283500000000 ] - [ -0.0012089600000000, -0.0014807400000000, -0.0003742700000000 ] - [ -0.0009994600000000, -0.0012424100000000, -0.0003209300000000 ] - [ -0.0010203000000000, -0.0012638900000000, -0.0003460400000000 ] - [ -0.0007766000000000, -0.0009788800000000, -0.0002136100000000 ] - [ -0.0012772100000000, -0.0013595000000000, -0.0002867700000000 ] - [ -0.0011058100000000, 0.0019697200000000, -0.0004479800000000 ] - [ -0.0003933000000000, 0.0006063000000000, -0.0003137900000000 ] - [ -0.0012457300000000, 0.0014385000000000, -0.0003514300000000 ] - [ -0.0015429900000000, 0.0016425100000000, -0.0003091800000000 ] - [ -0.0009939000000000, 0.0011982000000000, -0.0003773900000000 ] - [ -0.0017947800000000, 0.0020294200000000, -0.0005628800000000 ] - [ -0.0007962900000000, 0.0009100500000000, -0.0000227600000000 ] - [ -0.0000204500000000, 0.0001886100000000, 0.0004821100000000 ] - [ 0.0003271600000000, -0.0000844200000000, 0.0007023200000000 ] - [ -0.0000664000000000, 0.0002223900000000, 0.0004066100000000 ] - [ 0.0000486200000000, 0.0000877900000000, 0.0005492300000000 ] - [ 0.0000227100000000, 0.0001044700000000, 0.0005732300000000 ] - [ -0.0000813900000000, -0.0002724800000000, 0.0003521400000000 ] - [ 0.0006412500000000, -0.0001294100000000, 0.0030474200000000 ] - [ -0.0001060600000000, -0.0002064500000000, 0.0004253500000000 ] - [ -0.0000217600000000, -0.0000778600000000, 0.0005755800000000 ] - [ 0.0002512100000000, 0.0001001500000000, 0.0006629500000000 ] - [ 0.0000484900000000, 0.0000604000000000, 0.0003919100000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003026000000000, 0.0003497100000000, 0.0004818400000000 ] - [ 0.0003964800000000, 0.0005843500000000, 0.0003448000000000 ] - [ 0.0002649900000000, 0.0008797900000000, 0.0003922500000000 ] - [ 0.0008486100000000, 0.0000128100000000, 0.0014446000000000 ] - [ 0.0004587700000000, 0.0013873000000000, 0.0002421200000000 ] - [ 0.0003808600000000, 0.0014838700000000, 0.0002992600000000 ] - [ -0.0001226500000000, 0.0001330800000000, -0.0006045900000000 ] - [ 0.0003103500000000, -0.0005712300000000, -0.0001031400000000 ] - [ 0.0003530500000000, 0.0002941100000000, 0.0002129500000000 ] - [ 0.0002582600000000, -0.0004089200000000, 0.0001849600000000 ] - [ 0.0059019800000000, -0.0794531600000000, 0.0025581100000000 ] - [ 0.0005200900000000, -0.0017546200000000, 0.0003624100000000 ] - [ 0.0013195800000000, -0.0002040600000000, -0.0003445800000000 ] - [ 0.0009392300000000, 0.0002573100000000, 0.0001153900000000 ] - [ 0.0010214100000000, 0.0012973000000000, -0.0001034400000000 ] - [ 0.0012459800000000, 0.0011752300000000, 0.0000492900000000 ] - [ 0.0008474600000000, 0.0011393700000000, 0.0004557500000000 ] - [ 0.0015435100000000, 0.0012378900000000, 0.0001009300000000 ] - [ 0.0041508200000000, -0.0016210700000000, 0.0056014200000000 ] - [ 0.0008283700000000, -0.0007173500000000, -0.0003375300000000 ] - [ 0.0008225200000000, 0.0003609600000000, -0.0001795800000000 ] - [ 0.0008847800000000, -0.0000837500000000, -0.0002488800000000 ] - [ -0.0005693600000000, 0.0016895300000000, -0.0020439900000000 ] - [ 0.0014396500000000, -0.0006836900000000, -0.0000549400000000 ] - [ -0.0004478700000000, 0.0006632800000000, -0.0010665500000000 ] - [ -0.0003924900000000, 0.0002241600000000, -0.0006611200000000 ] - [ -0.0005204100000000, 0.0001623300000000, -0.0005235500000000 ] - [ -0.0001291100000000, 0.0003674900000000, -0.0008236500000000 ] - [ -0.0001594100000000, -0.0000915500000000, -0.0003121400000000 ] - [ -0.0003929200000000, 0.0003472200000000, -0.0006870200000000 ] - [ -0.0006889400000000, 0.0000173100000000, -0.0004243100000000 ] - [ -0.0004185300000000, -0.0002575300000000, -0.0007091100000000 ] - [ -0.0004477700000000, -0.0003515700000000, -0.0007142600000000 ] - [ -0.0004474400000000, -0.0003696300000000, -0.0007026300000000 ] - [ -0.0010099000000000, -0.0001394500000000, -0.0004916100000000 ] - [ -0.0004091200000000, -0.0003627800000000, -0.0007274200000000 ] - [ 0.0000888200000000, -0.0000030600000000, -0.0000972100000000 ] - [ -0.0001835000000000, -0.0012283600000000, -0.0002597000000000 ] - [ 0.0001250500000000, -0.0002624900000000, 0.0000659700000000 ] - [ 0.0001737500000000, -0.0003693900000000, 0.0000402500000000 ] - [ -0.0000439900000000, 0.0001462700000000, -0.0001024400000000 ] - [ 0.0027208900000000, -0.0054347600000000, 0.0010691000000000 ] - [ 0.0001074400000000, 0.0001020200000000, -0.0000991900000000 ] - [ 0.0001666800000000, 0.0002215600000000, -0.0000314800000000 ] - [ -0.0001977000000000, -0.0000377700000000, -0.0003950700000000 ] - [ 0.0001247300000000, -0.0000950300000000, -0.0002372700000000 ] - [ -0.0000072200000000, -0.0001666900000000, -0.0002041100000000 ] - [ 0.0000339900000000, -0.0002985900000000, -0.0003490900000000 ] - [ 0.0005434900000000, -0.0022593000000000, -0.0004995200000000 ] - [ 0.0004700300000000, -0.0010171700000000, -0.0001429500000000 ] - [ 0.0006382800000000, -0.0013825700000000, -0.0000674900000000 ] - [ 0.0006799700000000, -0.0012306100000000, -0.0001643300000000 ] - [ -0.0000347200000000, -0.0076104100000000, 0.0036826700000000 ] - [ 0.0004879300000000, -0.0008321500000000, -0.0003346600000000 ] - [ 0.0006798700000000, 0.0011250400000000, -0.0002756400000000 ] - [ 0.0005577300000000, 0.0010675400000000, -0.0002767900000000 ] - [ 0.0004841500000000, 0.0009045200000000, -0.0003555400000000 ] - [ 0.0004790700000000, 0.0009420200000000, -0.0005487600000000 ] - [ 0.0004524700000000, 0.0008480200000000, -0.0003436700000000 ] - [ 0.0004260200000000, 0.0007770900000000, -0.0003948500000000 ] - [ 0.0001005300000000, -0.0009287700000000, 0.0014062500000000 ] - [ -0.0005049600000000, 0.0003520900000000, 0.0005476000000000 ] - [ -0.0004375600000000, 0.0000299500000000, 0.0002324800000000 ] - [ -0.0003289400000000, 0.0001415400000000, 0.0003721800000000 ] - [ -0.0024667500000000, -0.0062777000000000, -0.0044913300000000 ] - [ -0.0005152600000000, 0.0005505200000000, 0.0002159400000000 ] - [ -0.0001414700000000, 0.0001234100000000, 0.0000575500000000 ] - [ -0.0002348100000000, -0.0000383700000000, 0.0004068600000000 ] - [ -0.0005300900000000, -0.0003562800000000, 0.0003169500000000 ] - [ -0.0021808900000000, -0.0012802000000000, -0.0011135100000000 ] - [ -0.0007831500000000, -0.0006648600000000, 0.0004553600000000 ] - [ -0.0005937100000000, -0.0005388500000000, 0.0003453900000000 ] - [ -0.0052940700000000, 0.1003581200000000, -0.0032100200000000 ] - [ 0.0000659100000000, 0.0002626200000000, 0.0005813300000000 ] - [ 0.0000872600000000, -0.0007791600000000, 0.0004365600000000 ] - [ 0.0000625500000000, -0.0004810300000000, 0.0004430300000000 ] - [ 0.0000648100000000, -0.0007702100000000, 0.0004472300000000 ] - [ 0.0001077300000000, -0.0004766700000000, 0.0004424800000000 ] - [ 0.0000926400000000, 0.0003106600000000, 0.0003957600000000 ] - [ -0.0000962600000000, 0.0007858400000000, 0.0000823500000000 ] - [ 0.0001001000000000, -0.0000950900000000, 0.0005451600000000 ] - [ 0.0001235700000000, -0.0001897700000000, 0.0005895300000000 ] - [ 0.0000728200000000, 0.0005634700000000, 0.0003825200000000 ] - [ 0.0000492700000000, 0.0004464100000000, 0.0003939100000000 ] - [ -0.0009857800000000, -0.0011582400000000, -0.0003576900000000 ] - [ -0.0010756600000000, -0.0012130800000000, -0.0003113100000000 ] - [ -0.0012837500000000, -0.0014509700000000, -0.0003645100000000 ] - [ -0.0012633000000000, -0.0014297300000000, -0.0003392800000000 ] - [ -0.0015071100000000, -0.0017146600000000, -0.0004712500000000 ] - [ -0.0010053100000000, -0.0013331200000000, -0.0003988300000000 ] - [ -0.0011741100000000, 0.0007121800000000, -0.0002317800000000 ] - [ -0.0018981000000000, 0.0020693200000000, -0.0003903500000000 ] - [ -0.0010382200000000, 0.0012540300000000, -0.0003333000000000 ] - [ -0.0007428600000000, 0.0010509200000000, -0.0003755900000000 ] - [ -0.0012902200000000, 0.0014958700000000, -0.0003081400000000 ] - [ -0.0004892100000000, 0.0006629900000000, -0.0001221600000000 ] - [ 0.0007412300000000, -0.0005969300000000, 0.0009575700000000 ] - [ -0.0000375900000000, 0.0001314000000000, 0.0004493600000000 ] - [ -0.0003802700000000, 0.0004016600000000, 0.0002321500000000 ] - [ 0.0000063700000000, 0.0001003300000000, 0.0005225500000000 ] - [ -0.0001081400000000, 0.0002344800000000, 0.0003798200000000 ] - [ -0.0000822000000000, 0.0002178000000000, 0.0003557000000000 ] - [ 0.0000226600000000, -0.0000499000000000, 0.0005771200000000 ] - [ -0.0006747000000000, -0.0001624800000000, -0.0020706500000000 ] - [ 0.0000461700000000, -0.0001173600000000, 0.0005027700000000 ] - [ -0.0000380200000000, -0.0002456000000000, 0.0003529800000000 ] - [ -0.0003106600000000, -0.0004234700000000, 0.0002656200000000 ] - [ -0.0001071300000000, -0.0003829200000000, 0.0005373300000000 ]- atom: 73 displacement: [ -0.0021219046125690, 0.0000000000000000, 0.0097722832958914 ] forces: - [ 0.0004238300000000, 0.0009693000000000, -0.0001573100000000 ] - [ 0.0002746900000000, 0.0009444100000000, -0.0000121300000000 ] - [ 0.0004370100000000, 0.0009071400000000, 0.0001853100000000 ] - [ 0.0001174600000000, 0.0013691300000000, -0.0003628500000000 ] - [ 0.0002796800000000, 0.0007380600000000, 0.0001426200000000 ] - [ 0.0003328700000000, 0.0006760600000000, 0.0001679900000000 ] - [ 0.0005773600000000, -0.0007436700000000, 0.0000270000000000 ] - [ 0.0002942400000000, -0.0009157800000000, 0.0005733200000000 ] - [ 0.0003955200000000, -0.0010265000000000, 0.0003258200000000 ] - [ 0.0004145800000000, -0.0009173900000000, 0.0003726200000000 ] - [ 0.0005647800000000, -0.0063450700000000, 0.0045689500000000 ] - [ 0.0003335500000000, -0.0006973800000000, 0.0003948200000000 ] - [ 0.0013106900000000, 0.0007622600000000, -0.0007239500000000 ] - [ 0.0008668900000000, 0.0011905500000000, -0.0005992400000000 ] - [ 0.0010433500000000, 0.0006569900000000, -0.0001881400000000 ] - [ 0.0009774600000000, 0.0006401000000000, -0.0002106000000000 ] - [ 0.0010821700000000, 0.0005399100000000, -0.0004547600000000 ] - [ 0.0007193400000000, 0.0004708300000000, -0.0002779500000000 ] - [ 0.0018792900000000, -0.0003364200000000, 0.0031956800000000 ] - [ 0.0009182300000000, -0.0010601800000000, 0.0002191900000000 ] - [ 0.0011569400000000, -0.0009585600000000, -0.0000713400000000 ] - [ 0.0009973100000000, -0.0008991800000000, -0.0000358900000000 ] - [ -0.0002079200000000, -0.0005292000000000, 0.0005926400000000 ] - [ 0.0011690800000000, -0.0008619000000000, 0.0000665700000000 ] - [ -0.0001910700000000, 0.0008656200000000, 0.0020528500000000 ] - [ -0.0004686500000000, 0.0004254300000000, -0.0007064800000000 ] - [ -0.0003998800000000, 0.0003507500000000, -0.0007055700000000 ] - [ -0.0005522900000000, 0.0002947400000000, -0.0006089300000000 ] - [ -0.0002446000000000, 0.0003362700000000, -0.0008289300000000 ] - [ -0.0004099600000000, 0.0003432500000000, -0.0007176500000000 ] - [ -0.0008743300000000, -0.0003129200000000, 0.0000646200000000 ] - [ -0.0004132500000000, -0.0003502700000000, -0.0006411800000000 ] - [ -0.0004140900000000, -0.0003126300000000, -0.0006570200000000 ] - [ -0.0004042000000000, -0.0003151500000000, -0.0006606600000000 ] - [ 0.0000100600000000, -0.0004767500000000, -0.0008046300000000 ] - [ -0.0004253900000000, -0.0002903400000000, -0.0006384700000000 ] - [ 0.0001306500000000, 0.0000356300000000, -0.0002141800000000 ] - [ -0.0000689700000000, -0.0000603700000000, -0.0003768700000000 ] - [ 0.0000692500000000, 0.0000576400000000, -0.0002010300000000 ] - [ 0.0000367400000000, 0.0000485700000000, -0.0001632500000000 ] - [ 0.0001058500000000, 0.0000053300000000, -0.0001337700000000 ] - [ -0.0005023600000000, 0.0014078800000000, -0.0015176800000000 ] - [ 0.0000982700000000, 0.0000360600000000, -0.0000365800000000 ] - [ 0.0000127900000000, 0.0000176500000000, 0.0000119000000000 ] - [ 0.0002254500000000, 0.0000235000000000, 0.0000190100000000 ] - [ 0.0000400400000000, 0.0000352200000000, -0.0000721000000000 ] - [ 0.0001192100000000, 0.0000965300000000, -0.0000587200000000 ] - [ 0.0000890800000000, 0.0001758300000000, 0.0000501900000000 ] - [ 0.0002679700000000, -0.0009037900000000, -0.0003779200000000 ] - [ 0.0004875400000000, -0.0008748800000000, -0.0004335000000000 ] - [ 0.0004969200000000, -0.0009030000000000, -0.0003559700000000 ] - [ 0.0005115300000000, -0.0009636500000000, -0.0003176300000000 ] - [ 0.0000741300000000, -0.0050733900000000, 0.0012752100000000 ] - [ 0.0004938000000000, -0.0009625400000000, -0.0003614700000000 ] - [ 0.0004186500000000, 0.0010311000000000, -0.0001545100000000 ] - [ 0.0005455200000000, 0.0010215800000000, -0.0001765000000000 ] - [ 0.0005073400000000, 0.0009986800000000, -0.0002390800000000 ] - [ 0.0005180800000000, 0.0009984300000000, -0.0001231300000000 ] - [ 0.0005472900000000, 0.0010623300000000, -0.0002026400000000 ] - [ 0.0005646300000000, 0.0010972200000000, -0.0001933200000000 ] - [ -0.0004484100000000, 0.0000589200000000, 0.0004115100000000 ] - [ -0.0004679300000000, 0.0002690700000000, 0.0002345200000000 ] - [ -0.0005351800000000, 0.0003636800000000, 0.0003182200000000 ] - [ -0.0005665500000000, 0.0003569400000000, 0.0002767800000000 ] - [ 0.0012131600000000, 0.0050077900000000, 0.0027591900000000 ] - [ -0.0005208800000000, 0.0002731100000000, 0.0002827900000000 ] - [ -0.0004817100000000, -0.0004357500000000, 0.0005704000000000 ] - [ -0.0004599500000000, -0.0003954700000000, 0.0004958200000000 ] - [ -0.0004721300000000, -0.0003264000000000, 0.0003912800000000 ] - [ 0.0003815000000000, 0.0001603100000000, 0.0011365000000000 ] - [ -0.0004094500000000, -0.0002704800000000, 0.0003943000000000 ] - [ -0.0004671500000000, -0.0002906400000000, 0.0003889400000000 ] - [ -0.0022812800000000, 0.0020125800000000, -0.0142552500000000 ] - [ 0.0000825900000000, -0.0003611600000000, 0.0003953500000000 ] - [ 0.0000641000000000, -0.0002229400000000, 0.0004729300000000 ] - [ 0.0000916800000000, -0.0002225600000000, 0.0004316300000000 ] - [ 0.0000585000000000, -0.0002207000000000, 0.0004710700000000 ] - [ 0.0000675300000000, -0.0002188900000000, 0.0004268000000000 ] - [ 0.0000910200000000, 0.0001817400000000, 0.0005957900000000 ] - [ 0.0001821200000000, -0.0001032900000000, 0.0007038800000000 ] - [ 0.0000836100000000, 0.0003130900000000, 0.0004664000000000 ] - [ 0.0000775800000000, 0.0003568200000000, 0.0004538600000000 ] - [ 0.0000808200000000, 0.0001604600000000, 0.0005505000000000 ] - [ 0.0001039900000000, 0.0001903400000000, 0.0005312300000000 ] - [ -0.0011967900000000, -0.0014073700000000, -0.0003324500000000 ] - [ -0.0012825400000000, -0.0014134700000000, -0.0003099900000000 ] - [ -0.0010987200000000, -0.0013191800000000, -0.0003389800000000 ] - [ -0.0011140300000000, -0.0013366900000000, -0.0003439800000000 ] - [ -0.0009220200000000, -0.0011535300000000, -0.0002909900000000 ] - [ -0.0011951800000000, -0.0013513600000000, -0.0003141400000000 ] - [ -0.0011755900000000, 0.0017211900000000, -0.0003547200000000 ] - [ 0.0001453700000000, 0.0013468700000000, 0.0000354400000000 ] - [ -0.0011317500000000, 0.0013602000000000, -0.0003598200000000 ] - [ -0.0012360100000000, 0.0014119900000000, -0.0003213800000000 ] - [ -0.0012175800000000, 0.0013616800000000, -0.0003355400000000 ] - [ -0.0008410600000000, 0.0011480700000000, -0.0004053400000000 ] - [ -0.0003697700000000, 0.0002843400000000, 0.0003507200000000 ] - [ 0.0000345400000000, 0.0000535400000000, 0.0005976900000000 ] - [ -0.0000134500000000, 0.0001565000000000, 0.0004806500000000 ] - [ -0.0000332000000000, 0.0001752500000000, 0.0004634500000000 ] - [ 0.0000214500000000, 0.0001257100000000, 0.0005214100000000 ] - [ -0.0000092900000000, 0.0001538900000000, 0.0005206000000000 ] - [ -0.0000263900000000, -0.0002032900000000, 0.0004230300000000 ] - [ 0.0000098500000000, -0.0005887900000000, 0.0011427800000000 ] - [ -0.0000444400000000, -0.0001754600000000, 0.0004485300000000 ] - [ -0.0000438700000000, -0.0001778600000000, 0.0004565400000000 ] - [ -0.0000514500000000, -0.0001610400000000, 0.0004358100000000 ] - [ -0.0000358300000000, -0.0001868300000000, 0.0003934500000000 ]- atom: 73 displacement: [ 0.0021219046125690, 0.0000000000000000, -0.0097722832958914 ] forces: - [ 0.0003084700000000, 0.0007667800000000, 0.0007067400000000 ] - [ 0.0004635000000000, 0.0007893100000000, 0.0005564600000000 ] - [ 0.0002994200000000, 0.0008241200000000, 0.0003632700000000 ] - [ 0.0006193600000000, 0.0003651000000000, 0.0009078400000000 ] - [ 0.0004548000000000, 0.0009919900000000, 0.0004048100000000 ] - [ 0.0003989100000000, 0.0010577800000000, 0.0003791800000000 ] - [ 0.0001640100000000, -0.0010071300000000, 0.0005143600000000 ] - [ 0.0004415600000000, -0.0008156000000000, -0.0000307600000000 ] - [ 0.0003405500000000, -0.0007120400000000, 0.0002187800000000 ] - [ 0.0003212200000000, -0.0008158900000000, 0.0001755200000000 ] - [ 0.0001730000000000, 0.0048932900000000, -0.0040798600000000 ] - [ 0.0003987400000000, -0.0010359500000000, 0.0001499600000000 ] - [ 0.0007537300000000, 0.0007868600000000, 0.0004782300000000 ] - [ 0.0012003200000000, 0.0003541000000000, 0.0003520600000000 ] - [ 0.0010227700000000, 0.0008858900000000, -0.0000606000000000 ] - [ 0.0010880600000000, 0.0009032200000000, -0.0000370000000000 ] - [ 0.0009851200000000, 0.0010040600000000, 0.0002054100000000 ] - [ 0.0013459500000000, 0.0010730100000000, 0.0000300800000000 ] - [ 0.0002527700000000, -0.0011426700000000, -0.0033637500000000 ] - [ 0.0011416100000000, -0.0004837000000000, -0.0004640800000000 ] - [ 0.0009108100000000, -0.0005896600000000, -0.0001769500000000 ] - [ 0.0010686300000000, -0.0006470200000000, -0.0002113100000000 ] - [ 0.0022777100000000, -0.0010255500000000, -0.0008328700000000 ] - [ 0.0008963300000000, -0.0006843900000000, -0.0003153000000000 ] - [ -0.0006271300000000, -0.0001942400000000, -0.0033280900000000 ] - [ -0.0003536800000000, 0.0002376600000000, -0.0006565300000000 ] - [ -0.0004213200000000, 0.0003115100000000, -0.0006585600000000 ] - [ -0.0002700500000000, 0.0003671000000000, -0.0007539200000000 ] - [ -0.0005776300000000, 0.0003275600000000, -0.0005360600000000 ] - [ -0.0004109300000000, 0.0003186000000000, -0.0006460900000000 ] - [ 0.0000617000000000, -0.0003414800000000, -0.0014457300000000 ] - [ -0.0004077300000000, -0.0003120400000000, -0.0007227900000000 ] - [ -0.0004070500000000, -0.0003492600000000, -0.0007066800000000 ] - [ -0.0004172500000000, -0.0003470300000000, -0.0007036300000000 ] - [ -0.0008314400000000, -0.0001851500000000, -0.0005592500000000 ] - [ -0.0003952500000000, -0.0003722100000000, -0.0007253600000000 ] - [ 0.0000144700000000, -0.0000608000000000, -0.0000281000000000 ] - [ 0.0002334400000000, 0.0000324000000000, 0.0001394100000000 ] - [ 0.0000959200000000, -0.0000902700000000, -0.0000390500000000 ] - [ 0.0001126800000000, -0.0000746300000000, -0.0000785500000000 ] - [ 0.0000487600000000, -0.0000349700000000, -0.0001074600000000 ] - [ 0.0006528700000000, -0.0014171200000000, 0.0012773400000000 ] - [ 0.0000443800000000, -0.0000109500000000, -0.0002054900000000 ] - [ 0.0001433500000000, 0.0000115300000000, -0.0002521900000000 ] - [ -0.0000527400000000, 0.0000132600000000, -0.0002584600000000 ] - [ 0.0001029100000000, -0.0000092100000000, -0.0001694700000000 ] - [ 0.0000267200000000, -0.0000702700000000, -0.0001830600000000 ] - [ 0.0000765200000000, -0.0001407500000000, -0.0002896100000000 ] - [ 0.0007571600000000, -0.0010793900000000, -0.0001712900000000 ] - [ 0.0005477800000000, -0.0010998300000000, -0.0001349700000000 ] - [ 0.0005367600000000, -0.0010721100000000, -0.0002109600000000 ] - [ 0.0005158800000000, -0.0010176800000000, -0.0002347600000000 ] - [ 0.0009485500000000, 0.0030801200000000, -0.0018331200000000 ] - [ 0.0005376800000000, -0.0010157800000000, -0.0001993000000000 ] - [ 0.0006119500000000, 0.0009461700000000, -0.0004042300000000 ] - [ 0.0004907000000000, 0.0009528700000000, -0.0003934600000000 ] - [ 0.0005280300000000, 0.0009761400000000, -0.0003300700000000 ] - [ 0.0005069200000000, 0.0009852700000000, -0.0004237800000000 ] - [ 0.0004796500000000, 0.0009200800000000, -0.0003490800000000 ] - [ 0.0004718900000000, 0.0008775900000000, -0.0003761900000000 ] - [ -0.0005403000000000, 0.0005827500000000, 0.0002796300000000 ] - [ -0.0005093600000000, 0.0003747400000000, 0.0004774400000000 ] - [ -0.0004450200000000, 0.0002788000000000, 0.0003897600000000 ] - [ -0.0004208800000000, 0.0002790300000000, 0.0004164700000000 ] - [ -0.0022088000000000, -0.0043845700000000, -0.0020564200000000 ] - [ -0.0004605100000000, 0.0003657500000000, 0.0004217000000000 ] - [ -0.0005007100000000, -0.0002039300000000, 0.0001292300000000 ] - [ -0.0005176200000000, -0.0002487500000000, 0.0002156900000000 ] - [ -0.0005054000000000, -0.0003172700000000, 0.0003202600000000 ] - [ -0.0013655700000000, -0.0007906700000000, -0.0004442500000000 ] - [ -0.0005770300000000, -0.0003630000000000, 0.0002979500000000 ] - [ -0.0005093900000000, -0.0003524500000000, 0.0003232900000000 ] - [ 0.0023914400000000, -0.0028483400000000, 0.0150288200000000 ] - [ 0.0000742200000000, -0.0001216500000000, 0.0005291500000000 ] - [ 0.0000911600000000, -0.0002465300000000, 0.0004523800000000 ] - [ 0.0000659800000000, -0.0002694100000000, 0.0004929800000000 ] - [ 0.0000986000000000, -0.0002644600000000, 0.0004531300000000 ] - [ 0.0000887000000000, -0.0002485400000000, 0.0004977200000000 ] - [ 0.0000646300000000, 0.0003131300000000, 0.0003293800000000 ] - [ -0.0000273900000000, 0.0005641100000000, 0.0002214300000000 ] - [ 0.0000706200000000, 0.0001575200000000, 0.0004581400000000 ] - [ 0.0000787000000000, 0.0001360900000000, 0.0004706700000000 ] - [ 0.0000740700000000, 0.0003169700000000, 0.0003744800000000 ] - [ 0.0000521900000000, 0.0003026600000000, 0.0003938200000000 ] - [ -0.0010868200000000, -0.0012885500000000, -0.0003579900000000 ] - [ -0.0009997100000000, -0.0012834500000000, -0.0003814100000000 ] - [ -0.0011843200000000, -0.0013768100000000, -0.0003520900000000 ] - [ -0.0011685900000000, -0.0013589500000000, -0.0003461800000000 ] - [ -0.0013605300000000, -0.0015418900000000, -0.0003985900000000 ] - [ -0.0010887700000000, -0.0013445400000000, -0.0003767500000000 ] - [ -0.0011136200000000, 0.0009791400000000, -0.0003331600000000 ] - [ -0.0024219900000000, 0.0013472800000000, -0.0007319200000000 ] - [ -0.0011513900000000, 0.0013363700000000, -0.0003314000000000 ] - [ -0.0010489800000000, 0.0012852500000000, -0.0003686600000000 ] - [ -0.0010661400000000, 0.0013344900000000, -0.0003546800000000 ] - [ -0.0014442100000000, 0.0015508200000000, -0.0002866800000000 ] - [ 0.0003081900000000, 0.0000470600000000, 0.0005794900000000 ] - [ -0.0000928300000000, 0.0002751000000000, 0.0003359600000000 ] - [ -0.0000425900000000, 0.0001700200000000, 0.0004539100000000 ] - [ -0.0000245100000000, 0.0001533000000000, 0.0004701800000000 ] - [ -0.0000792800000000, 0.0002029700000000, 0.0004119700000000 ] - [ -0.0000484300000000, 0.0001736700000000, 0.0004139900000000 ] - [ -0.0000307000000000, -0.0001255200000000, 0.0005106700000000 ] - [ -0.0000638000000000, 0.0002631400000000, -0.0002019100000000 ] - [ -0.0000137500000000, -0.0001526700000000, 0.0004854000000000 ] - [ -0.0000140300000000, -0.0001504400000000, 0.0004770500000000 ] - [ -0.0000049200000000, -0.0001662600000000, 0.0004989400000000 ] - [ -0.0000224600000000, -0.0001401200000000, 0.0005393700000000 ]- atom: 85 displacement: [ 0.0099976998849244, 0.0000000000000000, 0.0002144691376016 ] forces: - [ -0.0002384500000000, 0.0008670800000000, 0.0008856800000000 ] - [ 0.0025825300000000, -0.0004884100000000, -0.0033873700000000 ] - [ 0.0000839000000000, 0.0009596100000000, 0.0003363200000000 ] - [ 0.0021284200000000, 0.0020893500000000, 0.0007434800000000 ] - [ 0.0003659300000000, 0.0006491300000000, 0.0001624500000000 ] - [ 0.0002761400000000, 0.0003173500000000, 0.0001909100000000 ] - [ -0.0003142200000000, -0.0011983900000000, -0.0006824400000000 ] - [ 0.0005431700000000, -0.0006811800000000, 0.0005953200000000 ] - [ 0.0003961900000000, -0.0010710400000000, 0.0003112400000000 ] - [ 0.0003478500000000, -0.0010639000000000, 0.0002201900000000 ] - [ 0.0004274900000000, -0.0005672900000000, 0.0004657200000000 ] - [ 0.0004185400000000, -0.0008942500000000, 0.0004451900000000 ] - [ -0.0004144000000000, 0.0013872400000000, 0.0003321800000000 ] - [ 0.0524877100000000, 0.0365108800000000, -0.0021022100000000 ] - [ 0.0006679400000000, 0.0003616100000000, -0.0001706700000000 ] - [ 0.0017640300000000, -0.0004932400000000, 0.0000570400000000 ] - [ 0.0004844300000000, 0.0004115300000000, -0.0000763600000000 ] - [ 0.0013043200000000, 0.0000838200000000, -0.0001403500000000 ] - [ 0.0008188700000000, -0.0004123300000000, -0.0002588900000000 ] - [ 0.0012525200000000, -0.0003803400000000, 0.0001745900000000 ] - [ 0.0009637300000000, -0.0009633400000000, -0.0002522100000000 ] - [ 0.0010060500000000, -0.0009253100000000, 0.0000170200000000 ] - [ 0.0010299300000000, -0.0008924400000000, -0.0001708600000000 ] - [ 0.0010832700000000, -0.0009208800000000, -0.0001322100000000 ] - [ -0.0004142400000000, 0.0003001100000000, -0.0006450700000000 ] - [ -0.0002941200000000, 0.0003840300000000, -0.0007462100000000 ] - [ -0.0004364200000000, 0.0003254600000000, -0.0006697000000000 ] - [ -0.0003207300000000, 0.0003872400000000, -0.0007035100000000 ] - [ -0.0004046300000000, 0.0003532400000000, -0.0006813100000000 ] - [ -0.0004481600000000, 0.0003126200000000, -0.0006756900000000 ] - [ 0.0009372400000000, -0.0006161400000000, -0.0006155200000000 ] - [ 0.0061551500000000, -0.0006029200000000, -0.0049724800000000 ] - [ -0.0003743500000000, -0.0003519000000000, -0.0006881300000000 ] - [ -0.0005335700000000, -0.0001114100000000, -0.0005745700000000 ] - [ -0.0003407000000000, -0.0003580300000000, -0.0007378600000000 ] - [ -0.0005605900000000, -0.0001833500000000, -0.0004557000000000 ] - [ 0.0000587300000000, -0.0000794400000000, -0.0001807900000000 ] - [ 0.0003700100000000, -0.0001570300000000, 0.0000962800000000 ] - [ 0.0000649200000000, 0.0000377900000000, -0.0001487200000000 ] - [ 0.0000566200000000, 0.0000585100000000, -0.0001616100000000 ] - [ 0.0000740500000000, 0.0000246900000000, -0.0001794100000000 ] - [ 0.0000668600000000, -0.0000473200000000, -0.0001542000000000 ] - [ -0.0012557100000000, 0.0006001200000000, 0.0010168200000000 ] - [ 0.0005784600000000, 0.0000672500000000, -0.0003646900000000 ] - [ -0.0012612100000000, 0.0002759900000000, -0.0000656700000000 ] - [ 0.0001590300000000, 0.0000491000000000, -0.0001042500000000 ] - [ 0.0001141200000000, 0.0002101100000000, -0.0000409800000000 ] - [ 0.0001079400000000, 0.0000929400000000, -0.0000695800000000 ] - [ 0.0005816600000000, -0.0011339300000000, 0.0001368000000000 ] - [ 0.0005234700000000, -0.0010110600000000, -0.0003423400000000 ] - [ 0.0004917100000000, -0.0009215300000000, -0.0003092400000000 ] - [ 0.0004875100000000, -0.0009426500000000, -0.0002921700000000 ] - [ 0.0005165000000000, -0.0010232500000000, -0.0003028200000000 ] - [ 0.0004938300000000, -0.0009524400000000, -0.0003530700000000 ] - [ 0.0011798000000000, 0.0006590200000000, -0.0007444900000000 ] - [ 0.0040463900000000, 0.0057647500000000, 0.0018811900000000 ] - [ 0.0006183500000000, 0.0008399500000000, -0.0002488600000000 ] - [ 0.0002403500000000, 0.0008790100000000, -0.0002791500000000 ] - [ 0.0006606300000000, 0.0011926300000000, -0.0001721200000000 ] - [ 0.0005656800000000, 0.0011706300000000, -0.0001904700000000 ] - [ 0.0000881000000000, 0.0005381100000000, 0.0007280100000000 ] - [ -0.0004143200000000, -0.0001054900000000, 0.0000736400000000 ] - [ -0.0005880600000000, 0.0004288600000000, 0.0002988600000000 ] - [ -0.0006450100000000, 0.0004925100000000, 0.0004433300000000 ] - [ -0.0007030400000000, 0.0004219300000000, 0.0001234600000000 ] - [ -0.0004653500000000, 0.0002332400000000, 0.0003317400000000 ] - [ -0.0004343300000000, -0.0003685700000000, 0.0004056100000000 ] - [ -0.0005193100000000, -0.0003767700000000, 0.0011179500000000 ] - [ -0.0004634100000000, -0.0003498500000000, 0.0002665600000000 ] - [ -0.0007464400000000, -0.0004938000000000, 0.0001703300000000 ] - [ -0.0004569300000000, -0.0002651900000000, 0.0003671600000000 ] - [ -0.0004304000000000, -0.0001481200000000, 0.0003626200000000 ] - [ 0.0000475600000000, -0.0003900200000000, 0.0003926700000000 ] - [ 0.0000341000000000, -0.0002979500000000, 0.0003019100000000 ] - [ 0.0001993900000000, 0.0001426200000000, 0.0007071300000000 ] - [ 0.0000404200000000, -0.0003669300000000, 0.0003937700000000 ] - [ 0.0000920200000000, -0.0000926400000000, 0.0005017900000000 ] - [ 0.0000857500000000, -0.0001075500000000, 0.0004846400000000 ] - [ 0.0005407100000000, 0.0002013900000000, 0.0005205800000000 ] - [ 0.0021298700000000, -0.0005195900000000, 0.0022040100000000 ] - [ 0.0000883600000000, 0.0003342500000000, 0.0004677700000000 ] - [ 0.0000485100000000, 0.0006368300000000, 0.0003536500000000 ] - [ 0.0001473100000000, 0.0000838400000000, 0.0003925900000000 ] - [ -0.0002919400000000, 0.0008890300000000, 0.0006811500000000 ] - [ -0.0641984800000000, -0.0427867200000000, 0.0062909000000000 ] - [ -0.0005545900000000, -0.0009832600000000, -0.0005164900000000 ] - [ -0.0010560000000000, -0.0012296600000000, -0.0003692900000000 ] - [ -0.0009387800000000, -0.0012146200000000, -0.0003448600000000 ] - [ -0.0010546200000000, -0.0012231600000000, -0.0003527100000000 ] - [ -0.0009404100000000, -0.0013986800000000, -0.0004074300000000 ] - [ -0.0011272000000000, 0.0013151800000000, -0.0003567400000000 ] - [ -0.0010021900000000, 0.0012160600000000, -0.0003260700000000 ] - [ -0.0011603900000000, 0.0013862200000000, -0.0003565600000000 ] - [ -0.0011639900000000, 0.0013867000000000, -0.0003385600000000 ] - [ -0.0011942800000000, 0.0013857800000000, -0.0003442400000000 ] - [ -0.0011761200000000, 0.0013716200000000, -0.0003489000000000 ] - [ -0.0032150800000000, 0.0023388300000000, -0.0026766200000000 ] - [ 0.0001571600000000, -0.0001443700000000, 0.0006931300000000 ] - [ -0.0002372300000000, 0.0003582800000000, -0.0001312700000000 ] - [ -0.0001611900000000, 0.0002992800000000, 0.0003437900000000 ] - [ -0.0000557300000000, 0.0002151500000000, 0.0004122500000000 ] - [ 0.0000365600000000, 0.0001452500000000, 0.0004819900000000 ] - [ -0.0001286600000000, -0.0002960100000000, 0.0003517300000000 ] - [ 0.0000342900000000, -0.0000963300000000, 0.0005135500000000 ] - [ -0.0000527500000000, -0.0001926200000000, 0.0004432700000000 ] - [ -0.0000420500000000, -0.0001810000000000, 0.0004917500000000 ] - [ 0.0000169900000000, -0.0001260800000000, 0.0005007300000000 ] - [ -0.0001392500000000, -0.0002440200000000, 0.0004312900000000 ]- atom: 85 displacement: [ -0.0099976998849244, 0.0000000000000000, -0.0002144691376016 ] forces: - [ 0.0009690700000000, 0.0008645800000000, -0.0003341500000000 ] - [ -0.0018760100000000, 0.0022297400000000, 0.0039572400000000 ] - [ 0.0006437900000000, 0.0007831300000000, 0.0002126700000000 ] - [ -0.0014280400000000, -0.0003588300000000, -0.0002133200000000 ] - [ 0.0003665800000000, 0.0010853200000000, 0.0003851800000000 ] - [ 0.0004538100000000, 0.0014252300000000, 0.0003529900000000 ] - [ 0.0010425200000000, -0.0005379800000000, 0.0012326900000000 ] - [ 0.0001821100000000, -0.0010552500000000, -0.0000590500000000 ] - [ 0.0003357500000000, -0.0006647100000000, 0.0002311300000000 ] - [ 0.0003866700000000, -0.0006674100000000, 0.0003255600000000 ] - [ 0.0003036300000000, -0.0011710500000000, 0.0000769400000000 ] - [ 0.0003131300000000, -0.0008406900000000, 0.0001016700000000 ] - [ 0.0024853800000000, 0.0001556000000000, -0.0005658400000000 ] - [ -0.0521303100000000, -0.0366189400000000, 0.0022086300000000 ] - [ 0.0013886100000000, 0.0011767500000000, -0.0000725400000000 ] - [ 0.0002942900000000, 0.0020581600000000, -0.0002999800000000 ] - [ 0.0015856300000000, 0.0011373500000000, -0.0001635200000000 ] - [ 0.0007613300000000, 0.0014660300000000, -0.0001005200000000 ] - [ 0.0012491700000000, -0.0011338300000000, 0.0000178000000000 ] - [ 0.0008135400000000, -0.0011685500000000, -0.0004164800000000 ] - [ 0.0011034300000000, -0.0005828700000000, 0.0000109600000000 ] - [ 0.0010622200000000, -0.0006195600000000, -0.0002589800000000 ] - [ 0.0010375300000000, -0.0006534000000000, -0.0000689700000000 ] - [ 0.0009837100000000, -0.0006248500000000, -0.0001076800000000 ] - [ -0.0004081500000000, 0.0003608000000000, -0.0007165900000000 ] - [ -0.0005293300000000, 0.0002767400000000, -0.0006149900000000 ] - [ -0.0003849300000000, 0.0003361400000000, -0.0006924300000000 ] - [ -0.0005026300000000, 0.0002741400000000, -0.0006578800000000 ] - [ -0.0004167600000000, 0.0003087900000000, -0.0006813200000000 ] - [ -0.0003731700000000, 0.0003496300000000, -0.0006865100000000 ] - [ -0.0017270500000000, -0.0000452000000000, -0.0007347100000000 ] - [ -0.0070963800000000, -0.0001021000000000, 0.0036729500000000 ] - [ -0.0004475400000000, -0.0003091000000000, -0.0006737100000000 ] - [ -0.0002871800000000, -0.0005528300000000, -0.0007890700000000 ] - [ -0.0004808600000000, -0.0003039600000000, -0.0006241100000000 ] - [ -0.0002602700000000, -0.0004792600000000, -0.0009072400000000 ] - [ 0.0000995700000000, 0.0000479600000000, -0.0000660000000000 ] - [ -0.0002048200000000, 0.0001218300000000, -0.0003425300000000 ] - [ 0.0000947100000000, -0.0000705600000000, -0.0000963500000000 ] - [ 0.0000993800000000, -0.0000892600000000, -0.0000836900000000 ] - [ 0.0000877700000000, -0.0000579600000000, -0.0000653000000000 ] - [ 0.0000945500000000, 0.0000147900000000, -0.0000903700000000 ] - [ 0.0014323000000000, -0.0005552400000000, -0.0012603600000000 ] - [ -0.0004161500000000, -0.0000317700000000, 0.0001204500000000 ] - [ 0.0014428200000000, -0.0002659500000000, -0.0001656000000000 ] - [ -0.0000025900000000, -0.0000183700000000, -0.0001414100000000 ] - [ 0.0000398900000000, -0.0001805400000000, -0.0002069900000000 ] - [ 0.0000542900000000, -0.0000587700000000, -0.0001761100000000 ] - [ 0.0004425300000000, -0.0008482800000000, -0.0006922600000000 ] - [ 0.0005061200000000, -0.0009681200000000, -0.0002199400000000 ] - [ 0.0005381600000000, -0.0010569600000000, -0.0002558400000000 ] - [ 0.0005403200000000, -0.0010376000000000, -0.0002688400000000 ] - [ 0.0005112300000000, -0.0009558600000000, -0.0002577700000000 ] - [ 0.0005339100000000, -0.0010280000000000, -0.0002074200000000 ] - [ -0.0001459900000000, 0.0013122100000000, 0.0001802500000000 ] - [ -0.0030921000000000, -0.0038613900000000, -0.0024815200000000 ] - [ 0.0004228900000000, 0.0011450300000000, -0.0003129300000000 ] - [ 0.0007860900000000, 0.0011027800000000, -0.0002731100000000 ] - [ 0.0003633300000000, 0.0007871800000000, -0.0003866300000000 ] - [ 0.0004645000000000, 0.0008040500000000, -0.0003793400000000 ] - [ -0.0010725100000000, 0.0000985500000000, -0.0000389000000000 ] - [ -0.0005721700000000, 0.0007552000000000, 0.0006314900000000 ] - [ -0.0003938900000000, 0.0002120100000000, 0.0004028700000000 ] - [ -0.0003369200000000, 0.0001448700000000, 0.0002526200000000 ] - [ -0.0002768200000000, 0.0002140900000000, 0.0005772800000000 ] - [ -0.0005188000000000, 0.0004054800000000, 0.0003651700000000 ] - [ -0.0005501200000000, -0.0002692500000000, 0.0002897500000000 ] - [ -0.0004622900000000, -0.0002615100000000, -0.0004249000000000 ] - [ -0.0005197800000000, -0.0002906200000000, 0.0004326700000000 ] - [ -0.0002375300000000, -0.0001408800000000, 0.0005225300000000 ] - [ -0.0005292200000000, -0.0003725400000000, 0.0003279000000000 ] - [ -0.0005494600000000, -0.0004949200000000, 0.0003446100000000 ] - [ 0.0001068100000000, -0.0000842700000000, 0.0005292300000000 ] - [ 0.0001211100000000, -0.0001750300000000, 0.0006203800000000 ] - [ -0.0000451300000000, -0.0006109000000000, 0.0002139200000000 ] - [ 0.0001153600000000, -0.0001110800000000, 0.0005288800000000 ] - [ 0.0000625700000000, -0.0003889000000000, 0.0004188600000000 ] - [ 0.0000686300000000, -0.0003691600000000, 0.0004363400000000 ] - [ -0.0003756400000000, 0.0002766400000000, 0.0003961800000000 ] - [ -0.0020336500000000, 0.0009916900000000, -0.0013319700000000 ] - [ 0.0000642300000000, 0.0001386800000000, 0.0004543300000000 ] - [ 0.0001048000000000, -0.0001569300000000, 0.0005681200000000 ] - [ 0.0000053600000000, 0.0003881200000000, 0.0005280100000000 ] - [ 0.0004477700000000, -0.0004163800000000, 0.0002388000000000 ] - [ 0.0638344900000000, 0.0418510600000000, -0.0073401100000000 ] - [ -0.0017209900000000, -0.0017099300000000, -0.0001759100000000 ] - [ -0.0012267100000000, -0.0014681200000000, -0.0003208000000000 ] - [ -0.0013361100000000, -0.0014750200000000, -0.0003453400000000 ] - [ -0.0012259700000000, -0.0014724700000000, -0.0003374600000000 ] - [ -0.0013396800000000, -0.0012929600000000, -0.0002830200000000 ] - [ -0.0011537700000000, 0.0013797800000000, -0.0003332400000000 ] - [ -0.0012788600000000, 0.0014788400000000, -0.0003641600000000 ] - [ -0.0011207600000000, 0.0013088500000000, -0.0003330600000000 ] - [ -0.0011166200000000, 0.0013080900000000, -0.0003515200000000 ] - [ -0.0010864300000000, 0.0013096700000000, -0.0003462000000000 ] - [ -0.0011045700000000, 0.0013235500000000, -0.0003415100000000 ] - [ 0.0032017200000000, -0.0019902600000000, 0.0036176100000000 ] - [ -0.0002149600000000, 0.0004698300000000, 0.0002413600000000 ] - [ 0.0001876300000000, -0.0000426400000000, 0.0010705700000000 ] - [ 0.0001045600000000, 0.0000269100000000, 0.0005924000000000 ] - [ -0.0000019500000000, 0.0001134500000000, 0.0005228100000000 ] - [ -0.0000950500000000, 0.0001836300000000, 0.0004522200000000 ] - [ 0.0000710100000000, -0.0000313700000000, 0.0005835700000000 ] - [ -0.0000920700000000, -0.0002327000000000, 0.0004203700000000 ] - [ -0.0000054100000000, -0.0001356100000000, 0.0004913600000000 ] - [ -0.0000153700000000, -0.0001475300000000, 0.0004423800000000 ] - [ -0.0000748900000000, -0.0002029500000000, 0.0004335500000000 ] - [ 0.0000820000000000, -0.0000840200000000, 0.0005027600000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000020700000000, 0.0010808200000000, 0.0006243700000000 ] - [ 0.0016104100000000, -0.0000927900000000, -0.0026628100000000 ] - [ 0.0004425000000000, -0.0006634700000000, -0.0001390400000000 ] - [ 0.0011343900000000, 0.0007809600000000, 0.0008226500000000 ] - [ 0.0003481200000000, 0.0007083400000000, 0.0001589800000000 ] - [ 0.0003034500000000, 0.0004500500000000, 0.0001578500000000 ] - [ -0.0001164500000000, -0.0012352600000000, -0.0004831300000000 ] - [ 0.0003758500000000, -0.0007984400000000, 0.0003909700000000 ] - [ 0.0004086000000000, -0.0010222400000000, 0.0003497400000000 ] - [ 0.0003682700000000, -0.0010163700000000, 0.0002718700000000 ] - [ 0.0004475000000000, -0.0005260400000000, 0.0005277100000000 ] - [ 0.0002706100000000, -0.0007584300000000, 0.0003679000000000 ] - [ -0.0006692100000000, 0.0022698500000000, 0.0003824600000000 ] - [ 0.0357321700000000, 0.0370476900000000, -0.0007560500000000 ] - [ 0.0012524100000000, 0.0007143300000000, -0.0000372500000000 ] - [ 0.0014555900000000, -0.0000682300000000, 0.0003166900000000 ] - [ 0.0005869200000000, 0.0005455200000000, -0.0001150700000000 ] - [ 0.0012849500000000, 0.0000707000000000, -0.0001797800000000 ] - [ 0.0008342900000000, -0.0004331600000000, -0.0001384500000000 ] - [ 0.0011488900000000, -0.0004534500000000, 0.0000571600000000 ] - [ 0.0009770200000000, -0.0009909300000000, -0.0002343200000000 ] - [ 0.0010421800000000, -0.0009358900000000, -0.0000764500000000 ] - [ 0.0010280700000000, -0.0008307300000000, -0.0001638900000000 ] - [ 0.0010249400000000, -0.0009093900000000, -0.0001080700000000 ] - [ -0.0003711300000000, 0.0003485400000000, -0.0006851500000000 ] - [ -0.0003131900000000, 0.0003973500000000, -0.0007357800000000 ] - [ -0.0004401800000000, 0.0003302700000000, -0.0006722600000000 ] - [ -0.0003691800000000, 0.0003617100000000, -0.0006717100000000 ] - [ -0.0004093700000000, 0.0003443000000000, -0.0006780400000000 ] - [ -0.0004404700000000, 0.0003161500000000, -0.0006906300000000 ] - [ 0.0003388500000000, -0.0010346600000000, -0.0012350100000000 ] - [ -0.0002227600000000, -0.0043242700000000, -0.0029536800000000 ] - [ -0.0004044000000000, -0.0003314200000000, -0.0006790100000000 ] - [ -0.0005513300000000, -0.0001609800000000, -0.0006339300000000 ] - [ -0.0003338300000000, -0.0003872400000000, -0.0007313300000000 ] - [ -0.0006279500000000, -0.0001306100000000, -0.0004124900000000 ] - [ 0.0000831300000000, -0.0000852900000000, -0.0001847000000000 ] - [ 0.0003203200000000, -0.0001131700000000, 0.0000768800000000 ] - [ 0.0000713800000000, 0.0000358700000000, -0.0001543500000000 ] - [ 0.0000623400000000, 0.0000552000000000, -0.0001689200000000 ] - [ 0.0001695300000000, 0.0000182500000000, -0.0001942400000000 ] - [ 0.0000401700000000, -0.0000526200000000, -0.0001657200000000 ] - [ 0.0003974600000000, 0.0011683400000000, 0.0008354000000000 ] - [ 0.0004114100000000, -0.0001227100000000, -0.0004112900000000 ] - [ -0.0004712100000000, 0.0018162800000000, -0.0011706600000000 ] - [ 0.0001340600000000, 0.0002650400000000, 0.0000216200000000 ] - [ 0.0001137900000000, 0.0001776000000000, -0.0000438000000000 ] - [ 0.0001144600000000, 0.0000730700000000, -0.0000748900000000 ] - [ 0.0005574300000000, -0.0011013900000000, 0.0000827200000000 ] - [ 0.0005299400000000, -0.0010147100000000, -0.0002947000000000 ] - [ 0.0004871100000000, -0.0009262800000000, -0.0003115900000000 ] - [ 0.0004825500000000, -0.0009440400000000, -0.0002948900000000 ] - [ 0.0005186500000000, -0.0010320100000000, -0.0002975300000000 ] - [ 0.0005120300000000, -0.0009993500000000, -0.0003059600000000 ] - [ 0.0004173900000000, 0.0012877600000000, -0.0005355900000000 ] - [ 0.0037718500000000, 0.0048409700000000, 0.0015500900000000 ] - [ -0.0002216300000000, 0.0006353000000000, 0.0000468800000000 ] - [ 0.0004827000000000, 0.0009807300000000, -0.0002641000000000 ] - [ 0.0006254700000000, 0.0011486600000000, -0.0001782400000000 ] - [ 0.0005441500000000, 0.0011446700000000, -0.0001861400000000 ] - [ -0.0000558100000000, 0.0005928100000000, 0.0008177600000000 ] - [ -0.0003032100000000, 0.0002016800000000, 0.0002044000000000 ] - [ -0.0005941500000000, 0.0004107300000000, 0.0002667600000000 ] - [ -0.0006053700000000, 0.0004394400000000, 0.0003896300000000 ] - [ -0.0006054200000000, 0.0000539000000000, 0.0002483200000000 ] - [ -0.0003306500000000, 0.0001548500000000, 0.0004172400000000 ] - [ -0.0004936200000000, -0.0004123200000000, 0.0003626800000000 ] - [ -0.0003891800000000, -0.0004447500000000, 0.0010842300000000 ] - [ -0.0005379600000000, -0.0001785400000000, 0.0002465800000000 ] - [ -0.0005227000000000, -0.0003851800000000, 0.0002976800000000 ] - [ -0.0004542800000000, -0.0002794700000000, 0.0003778900000000 ] - [ -0.0004163500000000, -0.0001798600000000, 0.0003942800000000 ] - [ 0.0000489200000000, -0.0004203200000000, 0.0003875400000000 ] - [ 0.0000669600000000, -0.0003627700000000, 0.0003858500000000 ] - [ 0.0001813800000000, 0.0001425900000000, 0.0006774300000000 ] - [ 0.0000781600000000, -0.0002433700000000, 0.0004523700000000 ] - [ 0.0000873900000000, -0.0001242400000000, 0.0004877000000000 ] - [ 0.0000785800000000, -0.0001438500000000, 0.0004675600000000 ] - [ 0.0009944100000000, 0.0008538800000000, 0.0002736400000000 ] - [ -0.0003827700000000, -0.0005072300000000, 0.0003595600000000 ] - [ 0.0000873100000000, 0.0003184000000000, 0.0004455000000000 ] - [ 0.0000420600000000, 0.0005333900000000, 0.0003822900000000 ] - [ 0.0001244000000000, 0.0000804000000000, 0.0004525300000000 ] - [ -0.0000966100000000, 0.0009110500000000, 0.0006246300000000 ] - [ -0.0429525800000000, -0.0462656000000000, 0.0071289300000000 ] - [ -0.0007701200000000, -0.0012368600000000, -0.0004298600000000 ] - [ -0.0010087400000000, -0.0012115500000000, -0.0004051700000000 ] - [ -0.0011882200000000, -0.0014094600000000, -0.0003718900000000 ] - [ -0.0010153000000000, -0.0012122000000000, -0.0003502600000000 ] - [ -0.0010037000000000, -0.0014076000000000, -0.0003919400000000 ] - [ -0.0011033300000000, 0.0013177100000000, -0.0003448400000000 ] - [ -0.0010036100000000, 0.0012327900000000, -0.0003341700000000 ] - [ -0.0011728900000000, 0.0013910700000000, -0.0003510600000000 ] - [ -0.0011744900000000, 0.0013874100000000, -0.0003418800000000 ] - [ -0.0011734000000000, 0.0013713100000000, -0.0003401300000000 ] - [ -0.0011590600000000, 0.0013559600000000, -0.0003469700000000 ] - [ 0.0020024200000000, 0.0073284200000000, -0.0045616900000000 ] - [ 0.0001553500000000, -0.0001034000000000, 0.0006376100000000 ] - [ -0.0003527900000000, 0.0011063200000000, 0.0003465400000000 ] - [ -0.0000934900000000, 0.0002394300000000, 0.0003750300000000 ] - [ -0.0000403000000000, 0.0002007100000000, 0.0004187400000000 ] - [ 0.0000258900000000, 0.0001400100000000, 0.0004972200000000 ] - [ -0.0000849900000000, -0.0002767600000000, 0.0003855400000000 ] - [ -0.0000216900000000, -0.0001967900000000, 0.0004549400000000 ] - [ -0.0000463800000000, -0.0001779800000000, 0.0004581200000000 ] - [ -0.0000478600000000, -0.0001721500000000, 0.0004886000000000 ] - [ 0.0000529200000000, -0.0000915300000000, 0.0005155700000000 ] - [ -0.0001240700000000, -0.0002392400000000, 0.0004276900000000 ]- atom: 85 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007427300000000, 0.0006499300000000, -0.0000911000000000 ] - [ -0.0008769900000000, 0.0018297600000000, 0.0032066500000000 ] - [ 0.0002844400000000, 0.0023895200000000, 0.0006826500000000 ] - [ -0.0003983200000000, 0.0009626700000000, -0.0002716700000000 ] - [ 0.0003857200000000, 0.0010286900000000, 0.0003875900000000 ] - [ 0.0004252000000000, 0.0012878200000000, 0.0003883900000000 ] - [ 0.0008460300000000, -0.0005061600000000, 0.0010268200000000 ] - [ 0.0003564300000000, -0.0009396000000000, 0.0001493900000000 ] - [ 0.0003253400000000, -0.0007155600000000, 0.0001959100000000 ] - [ 0.0003657600000000, -0.0007186000000000, 0.0002743600000000 ] - [ 0.0002859800000000, -0.0012118500000000, 0.0000178500000000 ] - [ 0.0004643200000000, -0.0009794400000000, 0.0001782100000000 ] - [ 0.0027439600000000, -0.0007139600000000, -0.0006260000000000 ] - [ -0.0348738200000000, -0.0361623100000000, 0.0007086300000000 ] - [ 0.0008185600000000, 0.0008367800000000, -0.0002056500000000 ] - [ 0.0006205500000000, 0.0016078800000000, -0.0005499200000000 ] - [ 0.0014824700000000, 0.0009996000000000, -0.0001300600000000 ] - [ 0.0007810300000000, 0.0014761200000000, -0.0000655300000000 ] - [ 0.0012331000000000, -0.0011118800000000, -0.0001070800000000 ] - [ 0.0009196800000000, -0.0010924600000000, -0.0003028100000000 ] - [ 0.0010909100000000, -0.0005570700000000, -0.0000116200000000 ] - [ 0.0010255100000000, -0.0006109000000000, -0.0001688100000000 ] - [ 0.0010402200000000, -0.0007167900000000, -0.0000816100000000 ] - [ 0.0010433200000000, -0.0006376700000000, -0.0001373400000000 ] - [ -0.0004494400000000, 0.0003173500000000, -0.0006746300000000 ] - [ -0.0005078500000000, 0.0002686300000000, -0.0006235900000000 ] - [ -0.0003815300000000, 0.0003353900000000, -0.0006875300000000 ] - [ -0.0004506000000000, 0.0003046600000000, -0.0006873400000000 ] - [ -0.0004117000000000, 0.0003222500000000, -0.0006815100000000 ] - [ -0.0003799500000000, 0.0003497400000000, -0.0006684100000000 ] - [ -0.0011668100000000, 0.0003659100000000, -0.0001297600000000 ] - [ -0.0005671000000000, 0.0036917700000000, 0.0016011300000000 ] - [ -0.0004173900000000, -0.0003353100000000, -0.0006810300000000 ] - [ -0.0002734500000000, -0.0005016600000000, -0.0007256400000000 ] - [ -0.0004877900000000, -0.0002778900000000, -0.0006272900000000 ] - [ -0.0001922700000000, -0.0005353500000000, -0.0009480700000000 ] - [ 0.0000820800000000, 0.0000491200000000, -0.0000628400000000 ] - [ -0.0001355300000000, 0.0000703400000000, -0.0003216700000000 ] - [ 0.0001103100000000, -0.0000784500000000, -0.0000918800000000 ] - [ 0.0001138600000000, -0.0000949500000000, -0.0000776400000000 ] - [ 0.0000107700000000, -0.0000595500000000, -0.0000520400000000 ] - [ 0.0001355600000000, 0.0000132700000000, -0.0000809000000000 ] - [ -0.0002580700000000, -0.0011719900000000, -0.0011073400000000 ] - [ -0.0002306100000000, 0.0001647200000000, 0.0001660600000000 ] - [ 0.0006425600000000, -0.0017327600000000, 0.0008945600000000 ] - [ 0.0000377800000000, -0.0002258100000000, -0.0002669800000000 ] - [ 0.0000530700000000, -0.0001408300000000, -0.0002041700000000 ] - [ 0.0000705300000000, -0.0000291800000000, -0.0001715200000000 ] - [ 0.0004573400000000, -0.0008889200000000, -0.0006234800000000 ] - [ 0.0004942400000000, -0.0009688000000000, -0.0002664700000000 ] - [ 0.0005310500000000, -0.0010613200000000, -0.0002378900000000 ] - [ 0.0005326600000000, -0.0010457000000000, -0.0002504400000000 ] - [ 0.0004995400000000, -0.0009549100000000, -0.0002537900000000 ] - [ 0.0005049500000000, -0.0009890200000000, -0.0002418600000000 ] - [ 0.0006005300000000, 0.0006899200000000, -0.0000027500000000 ] - [ -0.0027892000000000, -0.0028874900000000, -0.0021262000000000 ] - [ 0.0012268200000000, 0.0013446500000000, -0.0005919600000000 ] - [ 0.0005331400000000, 0.0010058900000000, -0.0002838700000000 ] - [ 0.0003883200000000, 0.0008414700000000, -0.0003650200000000 ] - [ 0.0004789400000000, 0.0008386500000000, -0.0003731600000000 ] - [ -0.0009310000000000, 0.0000399700000000, -0.0001287700000000 ] - [ -0.0006816600000000, 0.0004329400000000, 0.0005004600000000 ] - [ -0.0003944600000000, 0.0002200900000000, 0.0004256400000000 ] - [ -0.0003869300000000, 0.0001907800000000, 0.0003001800000000 ] - [ -0.0003795900000000, 0.0005811600000000, 0.0004452900000000 ] - [ -0.0006586000000000, 0.0004755200000000, 0.0002730800000000 ] - [ -0.0004968000000000, -0.0002159200000000, 0.0003289200000000 ] - [ -0.0005952700000000, -0.0001891800000000, -0.0003822300000000 ] - [ -0.0004489300000000, -0.0004532000000000, 0.0004502200000000 ] - [ -0.0004675000000000, -0.0002458400000000, 0.0003935300000000 ] - [ -0.0005369800000000, -0.0003486600000000, 0.0003094700000000 ] - [ -0.0005665600000000, -0.0004556100000000, 0.0003090800000000 ] - [ 0.0001038600000000, -0.0000373900000000, 0.0005294400000000 ] - [ 0.0000859900000000, -0.0000886300000000, 0.0005313000000000 ] - [ -0.0000279500000000, -0.0005909500000000, 0.0002414700000000 ] - [ 0.0000759500000000, -0.0002246900000000, 0.0004651700000000 ] - [ 0.0000665200000000, -0.0003321500000000, 0.0004309300000000 ] - [ 0.0000741700000000, -0.0003065400000000, 0.0004506700000000 ] - [ -0.0008328600000000, -0.0003999800000000, 0.0006428700000000 ] - [ 0.0005491800000000, 0.0009542000000000, 0.0005690000000000 ] - [ 0.0000640100000000, 0.0001288100000000, 0.0004731500000000 ] - [ 0.0001098200000000, -0.0000662400000000, 0.0005351000000000 ] - [ 0.0000262800000000, 0.0003728000000000, 0.0004669500000000 ] - [ 0.0002481200000000, -0.0004477000000000, 0.0002941500000000 ] - [ 0.0420061900000000, 0.0443527600000000, -0.0080558100000000 ] - [ -0.0015141700000000, -0.0014684700000000, -0.0002609900000000 ] - [ -0.0012728100000000, -0.0014897200000000, -0.0002878600000000 ] - [ -0.0010966100000000, -0.0012954700000000, -0.0003210500000000 ] - [ -0.0012679900000000, -0.0014904900000000, -0.0003418700000000 ] - [ -0.0012787100000000, -0.0012933800000000, -0.0002998300000000 ] - [ -0.0011806400000000, 0.0013852800000000, -0.0003467300000000 ] - [ -0.0012795100000000, 0.0014696600000000, -0.0003572300000000 ] - [ -0.0011100800000000, 0.0013119200000000, -0.0003398100000000 ] - [ -0.0011091500000000, 0.0013159100000000, -0.0003496600000000 ] - [ -0.0011102400000000, 0.0013315900000000, -0.0003511800000000 ] - [ -0.0011244800000000, 0.0013476000000000, -0.0003448400000000 ] - [ -0.0021476700000000, -0.0071264900000000, 0.0055824500000000 ] - [ -0.0002101500000000, 0.0004302900000000, 0.0002970200000000 ] - [ 0.0002872900000000, -0.0007478800000000, 0.0005906700000000 ] - [ 0.0000372200000000, 0.0000903600000000, 0.0005596200000000 ] - [ -0.0000160000000000, 0.0001283000000000, 0.0005156700000000 ] - [ -0.0000821100000000, 0.0001892700000000, 0.0004382400000000 ] - [ 0.0000284000000000, -0.0000530500000000, 0.0005494400000000 ] - [ -0.0000340700000000, -0.0001322500000000, 0.0004797200000000 ] - [ -0.0000100300000000, -0.0001519200000000, 0.0004763400000000 ] - [ -0.0000078500000000, -0.0001571900000000, 0.0004464000000000 ] - [ -0.0001100500000000, -0.0002385400000000, 0.0004193600000000 ] - [ 0.0000675300000000, -0.0000900300000000, 0.0005065200000000 ]- atom: 85 displacement: [ -0.0021219046125690, 0.0000000000000000, 0.0097722832958914 ] forces: - [ 0.0004849200000000, 0.0008711800000000, 0.0000572800000000 ] - [ -0.0004831200000000, 0.0010932800000000, 0.0010188300000000 ] - [ 0.0002582600000000, 0.0000127200000000, 0.0000761400000000 ] - [ 0.0001859500000000, 0.0014040900000000, 0.0001431500000000 ] - [ 0.0003630500000000, 0.0009043000000000, 0.0002866000000000 ] - [ 0.0003896700000000, 0.0010043600000000, 0.0002903400000000 ] - [ 0.0006086800000000, -0.0006451100000000, 0.0006317300000000 ] - [ 0.0002013400000000, -0.0009370700000000, 0.0000654200000000 ] - [ 0.0003702700000000, -0.0008486100000000, 0.0002793000000000 ] - [ 0.0003752200000000, -0.0008168000000000, 0.0002992700000000 ] - [ 0.0003518800000000, -0.0009734800000000, 0.0001666500000000 ] - [ 0.0004330900000000, -0.0007697400000000, 0.0002197700000000 ] - [ 0.0017562200000000, 0.0005226200000000, -0.0012062700000000 ] - [ -0.0136693400000000, -0.0088448800000000, 0.0088025600000000 ] - [ 0.0012156400000000, 0.0009256200000000, -0.0000945100000000 ] - [ 0.0009001500000000, 0.0010865600000000, -0.0003047600000000 ] - [ 0.0011219000000000, 0.0008174800000000, -0.0001211500000000 ] - [ 0.0010049400000000, 0.0009952500000000, 0.0000192600000000 ] - [ 0.0010262000000000, -0.0008774300000000, -0.0000915800000000 ] - [ 0.0010285300000000, -0.0007979900000000, -0.0002779400000000 ] - [ 0.0010263300000000, -0.0007567300000000, -0.0001179200000000 ] - [ 0.0010379100000000, -0.0007700900000000, -0.0001706600000000 ] - [ 0.0010373100000000, -0.0007434800000000, -0.0001389800000000 ] - [ 0.0010308400000000, -0.0006991400000000, -0.0002010400000000 ] - [ -0.0003845600000000, 0.0003677900000000, -0.0007123800000000 ] - [ -0.0004341900000000, 0.0003065300000000, -0.0006566200000000 ] - [ -0.0004234600000000, 0.0003262100000000, -0.0006763700000000 ] - [ -0.0004114000000000, 0.0003322000000000, -0.0006974200000000 ] - [ -0.0004108300000000, 0.0003280900000000, -0.0006788300000000 ] - [ -0.0004058500000000, 0.0003206100000000, -0.0006651400000000 ] - [ -0.0005336800000000, 0.0000341200000000, -0.0001566900000000 ] - [ -0.0065730500000000, -0.0023807500000000, 0.0003244100000000 ] - [ -0.0004191400000000, -0.0003139300000000, -0.0006724700000000 ] - [ -0.0003920600000000, -0.0003791800000000, -0.0006761100000000 ] - [ -0.0004403000000000, -0.0003060000000000, -0.0006550600000000 ] - [ -0.0003443500000000, -0.0004173400000000, -0.0007814700000000 ] - [ 0.0000776500000000, -0.0000230700000000, -0.0000872300000000 ] - [ 0.0001077500000000, -0.0000225700000000, -0.0001423800000000 ] - [ 0.0000867700000000, -0.0000286900000000, -0.0001121800000000 ] - [ 0.0000816300000000, -0.0000167100000000, -0.0001211600000000 ] - [ 0.0000435500000000, -0.0000609000000000, -0.0000667300000000 ] - [ 0.0001055000000000, -0.0000110100000000, -0.0000837400000000 ] - [ 0.0014454200000000, 0.0003816900000000, -0.0004954800000000 ] - [ -0.0000306800000000, 0.0000583500000000, 0.0000195200000000 ] - [ 0.0002508200000000, -0.0009537500000000, 0.0003320700000000 ] - [ 0.0000867800000000, 0.0001120200000000, -0.0000762100000000 ] - [ 0.0000666600000000, -0.0000441400000000, -0.0001514400000000 ] - [ 0.0000785500000000, -0.0000026900000000, -0.0001340000000000 ] - [ 0.0004931200000000, -0.0009901100000000, -0.0003175200000000 ] - [ 0.0005234600000000, -0.0009967100000000, -0.0002282600000000 ] - [ 0.0005187000000000, -0.0009944000000000, -0.0002795300000000 ] - [ 0.0005154600000000, -0.0009963900000000, -0.0002753500000000 ] - [ 0.0005221000000000, -0.0009852700000000, -0.0002684200000000 ] - [ 0.0005079200000000, -0.0010219300000000, -0.0002427500000000 ] - [ 0.0002613900000000, 0.0010920300000000, -0.0001191600000000 ] - [ 0.0008356300000000, 0.0008990500000000, -0.0006813500000000 ] - [ 0.0002992500000000, 0.0010755200000000, -0.0000297700000000 ] - [ 0.0005562900000000, 0.0009392800000000, -0.0003030900000000 ] - [ 0.0004921200000000, 0.0009598700000000, -0.0002902700000000 ] - [ 0.0004944800000000, 0.0009362400000000, -0.0003149900000000 ] - [ -0.0004398800000000, 0.0005637700000000, 0.0014081000000000 ] - [ -0.0004286900000000, 0.0006507900000000, 0.0005845400000000 ] - [ -0.0004787300000000, 0.0003054600000000, 0.0003550400000000 ] - [ -0.0004683500000000, 0.0002792700000000, 0.0003126800000000 ] - [ -0.0004720600000000, 0.0006271000000000, 0.0003371100000000 ] - [ -0.0005245600000000, 0.0003235200000000, 0.0003248300000000 ] - [ -0.0005051300000000, -0.0003242400000000, 0.0003680700000000 ] - [ -0.0004046900000000, -0.0003070500000000, 0.0002925200000000 ] - [ -0.0004849600000000, -0.0002387700000000, 0.0003481000000000 ] - [ -0.0004760800000000, -0.0003546300000000, 0.0004113600000000 ] - [ -0.0004916300000000, -0.0003219300000000, 0.0003502300000000 ] - [ -0.0004995000000000, -0.0003570500000000, 0.0003689500000000 ] - [ 0.0000965000000000, -0.0001946600000000, 0.0004918200000000 ] - [ 0.0000831600000000, -0.0002577500000000, 0.0005307000000000 ] - [ 0.0000805800000000, -0.0001856800000000, 0.0004706200000000 ] - [ 0.0001093600000000, -0.0001584500000000, 0.0005135100000000 ] - [ 0.0000791000000000, -0.0002454400000000, 0.0004607200000000 ] - [ 0.0000768700000000, -0.0002621800000000, 0.0004582300000000 ] - [ 0.0003671700000000, 0.0003555600000000, 0.0005221600000000 ] - [ 0.0014763500000000, 0.0003487500000000, 0.0008748600000000 ] - [ 0.0000696300000000, 0.0002221500000000, 0.0004457900000000 ] - [ 0.0000951400000000, 0.0001230500000000, 0.0005115900000000 ] - [ 0.0000609100000000, 0.0003023600000000, 0.0004857300000000 ] - [ 0.0002507200000000, 0.0003203000000000, 0.0003771400000000 ] - [ 0.0194657000000000, 0.0151206200000000, -0.0142776900000000 ] - [ -0.0014366300000000, -0.0015122700000000, -0.0001900000000000 ] - [ -0.0011694600000000, -0.0013818700000000, -0.0003421900000000 ] - [ -0.0012431900000000, -0.0014219900000000, -0.0003409500000000 ] - [ -0.0011852500000000, -0.0014360700000000, -0.0003456600000000 ] - [ -0.0011855400000000, -0.0013658600000000, -0.0003282800000000 ] - [ -0.0011582600000000, 0.0013578900000000, -0.0003348300000000 ] - [ -0.0011546300000000, 0.0013691900000000, -0.0003539200000000 ] - [ -0.0011509900000000, 0.0013499900000000, -0.0003415700000000 ] - [ -0.0011318800000000, 0.0013401700000000, -0.0003460400000000 ] - [ -0.0011321200000000, 0.0013388900000000, -0.0003393500000000 ] - [ -0.0011397200000000, 0.0013483200000000, -0.0003408600000000 ] - [ -0.0024574700000000, -0.0062164900000000, 0.0022359200000000 ] - [ -0.0000912700000000, 0.0002599400000000, 0.0005384300000000 ] - [ -0.0001272800000000, 0.0005062600000000, 0.0007581600000000 ] - [ 0.0000605700000000, 0.0000879800000000, 0.0005471400000000 ] - [ -0.0000269600000000, 0.0001603700000000, 0.0004613100000000 ] - [ -0.0000388200000000, 0.0001733600000000, 0.0004576500000000 ] - [ -0.0000050100000000, -0.0001442200000000, 0.0005018700000000 ] - [ -0.0000455500000000, -0.0001586100000000, 0.0004538300000000 ] - [ -0.0000273500000000, -0.0001591800000000, 0.0004728100000000 ] - [ -0.0000272700000000, -0.0001605500000000, 0.0004684400000000 ] - [ -0.0000273000000000, -0.0001704200000000, 0.0004683800000000 ] - [ -0.0000388200000000, -0.0001806800000000, 0.0004550600000000 ]- atom: 85 displacement: [ 0.0021219046125690, 0.0000000000000000, -0.0097722832958914 ] forces: - [ 0.0002439100000000, 0.0008607900000000, 0.0004923700000000 ] - [ 0.0012338000000000, 0.0006313500000000, -0.0004917300000000 ] - [ 0.0004729000000000, 0.0017325000000000, 0.0004824100000000 ] - [ 0.0005557300000000, 0.0003313900000000, 0.0004027300000000 ] - [ 0.0003707800000000, 0.0008248800000000, 0.0002588900000000 ] - [ 0.0003401000000000, 0.0007316400000000, 0.0002554800000000 ] - [ 0.0001311100000000, -0.0010859500000000, -0.0000779300000000 ] - [ 0.0005303300000000, -0.0007935000000000, 0.0004769800000000 ] - [ 0.0003669400000000, -0.0008889600000000, 0.0002627800000000 ] - [ 0.0003593600000000, -0.0009155600000000, 0.0002460800000000 ] - [ 0.0003811400000000, -0.0007627200000000, 0.0003774200000000 ] - [ 0.0003010600000000, -0.0009627700000000, 0.0003269300000000 ] - [ 0.0003030300000000, 0.0010262400000000, 0.0009629300000000 ] - [ 0.0157004300000000, 0.0103510000000000, -0.0091477000000000 ] - [ 0.0008387200000000, 0.0006106600000000, -0.0001564500000000 ] - [ 0.0011705900000000, 0.0004581500000000, 0.0000530300000000 ] - [ 0.0009439100000000, 0.0007271300000000, -0.0001248900000000 ] - [ 0.0010652700000000, 0.0005493400000000, -0.0002661100000000 ] - [ 0.0010435800000000, -0.0006690600000000, -0.0001538700000000 ] - [ 0.0010396500000000, -0.0007489600000000, 0.0000338500000000 ] - [ 0.0010425800000000, -0.0007907000000000, -0.0001284400000000 ] - [ 0.0010300200000000, -0.0007772500000000, -0.0000745600000000 ] - [ 0.0010316100000000, -0.0008050900000000, -0.0001069100000000 ] - [ 0.0010379200000000, -0.0008493100000000, -0.0000450200000000 ] - [ -0.0004335900000000, 0.0002995700000000, -0.0006496200000000 ] - [ -0.0003828300000000, 0.0003616000000000, -0.0007047500000000 ] - [ -0.0003942200000000, 0.0003412200000000, -0.0006845400000000 ] - [ -0.0004061800000000, 0.0003361700000000, -0.0006638400000000 ] - [ -0.0004067800000000, 0.0003406000000000, -0.0006831200000000 ] - [ -0.0004117700000000, 0.0003468600000000, -0.0006959300000000 ] - [ -0.0002806200000000, -0.0007047400000000, -0.0012083900000000 ] - [ 0.0056743400000000, 0.0016875400000000, -0.0016874200000000 ] - [ -0.0003982200000000, -0.0003528800000000, -0.0006877600000000 ] - [ -0.0004257300000000, -0.0002890100000000, -0.0006848900000000 ] - [ -0.0003768300000000, -0.0003622000000000, -0.0007065200000000 ] - [ -0.0004735600000000, -0.0002502300000000, -0.0005792800000000 ] - [ 0.0000838500000000, -0.0000132200000000, -0.0001575700000000 ] - [ 0.0000630600000000, -0.0000176400000000, -0.0001003200000000 ] - [ 0.0000887300000000, -0.0000115100000000, -0.0001314500000000 ] - [ 0.0000753000000000, -0.0000168200000000, -0.0001243400000000 ] - [ 0.0001265000000000, 0.0000228600000000, -0.0001772400000000 ] - [ 0.0000553000000000, -0.0000230800000000, -0.0001605400000000 ] - [ -0.0012988100000000, -0.0003535100000000, 0.0002538700000000 ] - [ 0.0002046700000000, -0.0000178600000000, -0.0002639800000000 ] - [ -0.0000788000000000, 0.0010115100000000, -0.0005781500000000 ] - [ 0.0000737400000000, -0.0000768100000000, -0.0001699100000000 ] - [ 0.0000877800000000, 0.0000772900000000, -0.0000936400000000 ] - [ 0.0000926800000000, 0.0000433200000000, -0.0001090500000000 ] - [ 0.0005303700000000, -0.0009967700000000, -0.0002388700000000 ] - [ 0.0005051100000000, -0.0009870800000000, -0.0003337800000000 ] - [ 0.0005106600000000, -0.0009865100000000, -0.0002892300000000 ] - [ 0.0005061400000000, -0.0009912800000000, -0.0002759700000000 ] - [ 0.0005061600000000, -0.0009967300000000, -0.0002953200000000 ] - [ 0.0005157000000000, -0.0009637700000000, -0.0003133500000000 ] - [ 0.0007645700000000, 0.0008939800000000, -0.0004360000000000 ] - [ 0.0002042200000000, 0.0011032500000000, 0.0001250500000000 ] - [ 0.0007466700000000, 0.0009197700000000, -0.0005375600000000 ] - [ 0.0004620700000000, 0.0010497900000000, -0.0002433100000000 ] - [ 0.0005317500000000, 0.0010282300000000, -0.0002632100000000 ] - [ 0.0005373100000000, 0.0010439100000000, -0.0002550700000000 ] - [ -0.0005427000000000, 0.0000768700000000, -0.0006788600000000 ] - [ -0.0005544700000000, -0.0000162900000000, 0.0001226000000000 ] - [ -0.0005053100000000, 0.0003304600000000, 0.0003571000000000 ] - [ -0.0005234000000000, 0.0003493000000000, 0.0003824100000000 ] - [ -0.0005124600000000, 0.0000095500000000, 0.0003701700000000 ] - [ -0.0004641900000000, 0.0003062600000000, 0.0003743600000000 ] - [ -0.0004831700000000, -0.0003061200000000, 0.0003293600000000 ] - [ -0.0005804800000000, -0.0003262600000000, 0.0004164600000000 ] - [ -0.0004995900000000, -0.0003964100000000, 0.0003574900000000 ] - [ -0.0005181500000000, -0.0002731000000000, 0.0002779200000000 ] - [ -0.0004977200000000, -0.0003065200000000, 0.0003471400000000 ] - [ -0.0004810300000000, -0.0002793200000000, 0.0003453300000000 ] - [ 0.0000580600000000, -0.0002776800000000, 0.0004291900000000 ] - [ 0.0000711600000000, -0.0002050900000000, 0.0003908100000000 ] - [ 0.0000729200000000, -0.0002741400000000, 0.0004514900000000 ] - [ 0.0000460000000000, -0.0003150900000000, 0.0004086800000000 ] - [ 0.0000755800000000, -0.0002288600000000, 0.0004604100000000 ] - [ 0.0000772900000000, -0.0001944000000000, 0.0004638100000000 ] - [ -0.0002188700000000, 0.0001157800000000, 0.0003974700000000 ] - [ -0.0013352500000000, 0.0000987000000000, 0.0000496400000000 ] - [ 0.0000823600000000, 0.0002396300000000, 0.0004767800000000 ] - [ 0.0000592000000000, 0.0003557000000000, 0.0004103600000000 ] - [ 0.0000923000000000, 0.0001586400000000, 0.0004364000000000 ] - [ -0.0001007300000000, 0.0001531500000000, 0.0005462500000000 ] - [ -0.0216164400000000, -0.0177444100000000, 0.0136613500000000 ] - [ -0.0008475300000000, -0.0011912900000000, -0.0005034800000000 ] - [ -0.0011178300000000, -0.0013233800000000, -0.0003520900000000 ] - [ -0.0010357600000000, -0.0012760900000000, -0.0003520000000000 ] - [ -0.0011012800000000, -0.0012683100000000, -0.0003480400000000 ] - [ -0.0011000400000000, -0.0013383100000000, -0.0003655000000000 ] - [ -0.0011272800000000, 0.0013453000000000, -0.0003579500000000 ] - [ -0.0011323200000000, 0.0013351400000000, -0.0003391800000000 ] - [ -0.0011354300000000, 0.0013547500000000, -0.0003522300000000 ] - [ -0.0011543900000000, 0.0013642400000000, -0.0003476200000000 ] - [ -0.0011547900000000, 0.0013656300000000, -0.0003542400000000 ] - [ -0.0011472900000000, 0.0013572000000000, -0.0003540800000000 ] - [ 0.0023722800000000, 0.0064860800000000, -0.0013085300000000 ] - [ 0.0000353500000000, 0.0000729800000000, 0.0003965300000000 ] - [ 0.0000676300000000, -0.0001636300000000, 0.0001761600000000 ] - [ -0.0001171800000000, 0.0002468500000000, 0.0003882200000000 ] - [ -0.0000302900000000, 0.0001748700000000, 0.0004728900000000 ] - [ -0.0000182000000000, 0.0001605200000000, 0.0004773500000000 ] - [ -0.0000520000000000, -0.0001903200000000, 0.0004329900000000 ] - [ -0.0000102200000000, -0.0001750200000000, 0.0004807400000000 ] - [ -0.0000301800000000, -0.0001754400000000, 0.0004614900000000 ] - [ -0.0000297100000000, -0.0001756400000000, 0.0004656700000000 ] - [ -0.0000293200000000, -0.0001632900000000, 0.0004666500000000 ] - [ -0.0000183500000000, -0.0001542300000000, 0.0004788400000000 ]- atom: 97 displacement: [ 0.0099976998849244, 0.0000000000000000, 0.0002144691376016 ] forces: - [ 0.0003598400000000, 0.0011943100000000, 0.0009285600000000 ] - [ 0.0011193700000000, 0.0009341200000000, 0.0003900300000000 ] - [ 0.0002762900000000, 0.0007125000000000, 0.0003339800000000 ] - [ 0.0007628700000000, 0.0013533300000000, 0.0004196000000000 ] - [ 0.0002600000000000, 0.0007592000000000, 0.0002564300000000 ] - [ 0.0004112200000000, 0.0008979200000000, 0.0003430600000000 ] - [ 0.0002455700000000, -0.0009111100000000, 0.0000056400000000 ] - [ 0.0004555600000000, -0.0009373100000000, 0.0002419500000000 ] - [ 0.0003122000000000, -0.0014725900000000, 0.0001315800000000 ] - [ 0.0003696500000000, -0.0008087000000000, 0.0002783700000000 ] - [ 0.0018941100000000, 0.0012346600000000, 0.0033035100000000 ] - [ 0.0007491400000000, -0.0007998900000000, 0.0000598100000000 ] - [ 0.0005383900000000, 0.0005185200000000, -0.0002320100000000 ] - [ 0.0238738500000000, -0.0142007400000000, 0.0209310100000000 ] - [ 0.0009486600000000, 0.0006279500000000, -0.0001343600000000 ] - [ 0.0012006100000000, 0.0007124200000000, -0.0000850100000000 ] - [ 0.0011977700000000, 0.0005903700000000, -0.0005565600000000 ] - [ 0.0010393200000000, 0.0013621100000000, 0.0000604700000000 ] - [ 0.0011190700000000, -0.0006178100000000, 0.0000796600000000 ] - [ 0.0011077400000000, -0.0008323000000000, -0.0001965700000000 ] - [ 0.0010328300000000, -0.0009150600000000, -0.0001124100000000 ] - [ 0.0010398000000000, -0.0008199200000000, -0.0001327900000000 ] - [ 0.0013055400000000, -0.0010889700000000, 0.0003689200000000 ] - [ 0.0010500400000000, -0.0004779400000000, -0.0003857800000000 ] - [ -0.0004548000000000, 0.0003036300000000, -0.0006489700000000 ] - [ -0.0003759200000000, 0.0003253000000000, -0.0006675200000000 ] - [ -0.0004267000000000, 0.0003402200000000, -0.0006868100000000 ] - [ -0.0003595400000000, 0.0003572300000000, -0.0007024500000000 ] - [ -0.0004320200000000, 0.0003789800000000, -0.0007612200000000 ] - [ -0.0004007000000000, 0.0002806500000000, -0.0006095700000000 ] - [ -0.0004303800000000, -0.0003793500000000, -0.0007647100000000 ] - [ 0.0030996700000000, -0.0054886300000000, -0.0004412600000000 ] - [ -0.0003954100000000, -0.0003300200000000, -0.0006801500000000 ] - [ -0.0004088800000000, -0.0003243500000000, -0.0006864700000000 ] - [ 0.0001576400000000, -0.0004649700000000, -0.0009493900000000 ] - [ -0.0001794900000000, -0.0004853900000000, -0.0008763500000000 ] - [ 0.0000157400000000, -0.0000052400000000, -0.0001144100000000 ] - [ 0.0001145800000000, -0.0000544200000000, -0.0000770500000000 ] - [ 0.0000738900000000, -0.0000261000000000, -0.0001194300000000 ] - [ 0.0000272300000000, 0.0001226400000000, -0.0001486400000000 ] - [ -0.0001917100000000, -0.0002019500000000, 0.0001989600000000 ] - [ -0.0003889600000000, 0.0000288100000000, -0.0005629600000000 ] - [ -0.0006249700000000, 0.0001822000000000, -0.0001347700000000 ] - [ 0.0004855800000000, 0.0000760600000000, -0.0002913000000000 ] - [ -0.0001776800000000, 0.0001234300000000, -0.0001984500000000 ] - [ 0.0001093100000000, 0.0000580600000000, -0.0001152400000000 ] - [ 0.0000504500000000, -0.0000692200000000, -0.0001958500000000 ] - [ 0.0000814100000000, 0.0001946300000000, 0.0000652200000000 ] - [ 0.0005367500000000, -0.0010436900000000, -0.0002240200000000 ] - [ 0.0004933400000000, -0.0009738600000000, -0.0002886200000000 ] - [ 0.0005232900000000, -0.0008462500000000, -0.0003575200000000 ] - [ 0.0005015600000000, -0.0009888600000000, -0.0002762500000000 ] - [ 0.0004503900000000, -0.0009371500000000, -0.0009633600000000 ] - [ 0.0004502600000000, -0.0010166500000000, -0.0002184800000000 ] - [ 0.0015799700000000, 0.0008969700000000, -0.0015146900000000 ] - [ 0.0021674500000000, 0.0009202200000000, 0.0014889300000000 ] - [ 0.0005923900000000, 0.0010514000000000, -0.0002933500000000 ] - [ 0.0004632400000000, 0.0008021000000000, -0.0002244200000000 ] - [ 0.0005484000000000, 0.0010275300000000, -0.0002604200000000 ] - [ 0.0004843700000000, 0.0009172100000000, -0.0003361500000000 ] - [ -0.0004484200000000, 0.0002882300000000, 0.0004487700000000 ] - [ -0.0006475200000000, 0.0004845200000000, 0.0003159800000000 ] - [ -0.0004185900000000, 0.0003871100000000, 0.0004857300000000 ] - [ -0.0005486400000000, 0.0003420000000000, 0.0003256000000000 ] - [ -0.0016634600000000, 0.0002473900000000, -0.0016968400000000 ] - [ -0.0005739700000000, 0.0002927400000000, 0.0003971900000000 ] - [ -0.0004752100000000, -0.0003352300000000, 0.0002045300000000 ] - [ -0.0007039400000000, -0.0003509700000000, 0.0002408700000000 ] - [ -0.0004584100000000, -0.0002714000000000, 0.0003263300000000 ] - [ -0.0005408400000000, -0.0004766300000000, 0.0003579900000000 ] - [ -0.0004272700000000, -0.0002716200000000, 0.0003275000000000 ] - [ -0.0005571900000000, -0.0003464800000000, 0.0003348100000000 ] - [ -0.0000417100000000, -0.0010254800000000, 0.0000854400000000 ] - [ 0.0000331400000000, -0.0002315100000000, 0.0005183000000000 ] - [ 0.0001039100000000, -0.0001573000000000, 0.0005199700000000 ] - [ 0.0000764000000000, -0.0001955100000000, 0.0004817200000000 ] - [ 0.0000696800000000, 0.0001235900000000, 0.0004734500000000 ] - [ 0.0000751700000000, -0.0002758800000000, 0.0004561700000000 ] - [ 0.0001209200000000, 0.0003061000000000, 0.0004719100000000 ] - [ -0.0000097800000000, -0.0004691400000000, 0.0004889200000000 ] - [ 0.0000793100000000, 0.0003139800000000, 0.0004458100000000 ] - [ 0.0000731600000000, 0.0002300100000000, 0.0004443000000000 ] - [ 0.0001257800000000, -0.0000479000000000, 0.0004475100000000 ] - [ 0.0000212600000000, 0.0001697400000000, 0.0004413000000000 ] - [ -0.0043463900000000, 0.0006187400000000, -0.0034654000000000 ] - [ -0.0009509200000000, -0.0011643900000000, -0.0003642200000000 ] - [ -0.0011723500000000, -0.0013639000000000, -0.0003474000000000 ] - [ -0.0010777900000000, -0.0012968300000000, -0.0003391300000000 ] - [ -0.0013705700000000, -0.0016756100000000, -0.0004835200000000 ] - [ -0.0012812800000000, -0.0014182300000000, -0.0002796000000000 ] - [ -0.0012465600000000, 0.0014094700000000, -0.0003399300000000 ] - [ -0.0010799600000000, 0.0013453400000000, -0.0003468100000000 ] - [ -0.0011687100000000, 0.0013699400000000, -0.0003469300000000 ] - [ -0.0011580400000000, 0.0013715000000000, -0.0003437600000000 ] - [ -0.0010982800000000, 0.0012692000000000, -0.0003308100000000 ] - [ -0.0012558800000000, 0.0014485600000000, -0.0003773200000000 ] - [ -0.0262126200000000, 0.0178092900000000, -0.0178571900000000 ] - [ 0.0000273000000000, 0.0001284700000000, 0.0005255600000000 ] - [ -0.0000373400000000, 0.0001877200000000, 0.0004331400000000 ] - [ -0.0000188400000000, 0.0001643500000000, 0.0004740800000000 ] - [ -0.0000386700000000, 0.0001053400000000, 0.0005129400000000 ] - [ -0.0000200700000000, 0.0001621900000000, 0.0005137400000000 ] - [ -0.0000475200000000, -0.0001726900000000, 0.0004773900000000 ] - [ -0.0000679400000000, -0.0002160000000000, 0.0003833700000000 ] - [ -0.0000438500000000, -0.0001816200000000, 0.0004596400000000 ] - [ 0.0000044700000000, -0.0001309000000000, 0.0005028600000000 ] - [ -0.0000148000000000, -0.0001517500000000, 0.0005042600000000 ] - [ -0.0000163200000000, -0.0001148200000000, 0.0004318800000000 ]- atom: 97 displacement: [ -0.0099976998849244, 0.0000000000000000, -0.0002144691376016 ] forces: - [ 0.0003828700000000, 0.0005460300000000, -0.0003734100000000 ] - [ -0.0003979000000000, 0.0008086400000000, 0.0001618400000000 ] - [ 0.0004583900000000, 0.0010237800000000, 0.0002135000000000 ] - [ -0.0000253600000000, 0.0003701400000000, 0.0001267200000000 ] - [ 0.0004729100000000, 0.0009765600000000, 0.0002935000000000 ] - [ 0.0003191600000000, 0.0008387900000000, 0.0002040900000000 ] - [ 0.0004814000000000, -0.0008296300000000, 0.0005409800000000 ] - [ 0.0002750000000000, -0.0008002700000000, 0.0002975000000000 ] - [ 0.0004197800000000, -0.0002728000000000, 0.0004118300000000 ] - [ 0.0003613700000000, -0.0009300000000000, 0.0002689000000000 ] - [ -0.0011444300000000, -0.0029650900000000, -0.0027427500000000 ] - [ -0.0000260000000000, -0.0009377600000000, 0.0004906700000000 ] - [ 0.0015257800000000, 0.0010236700000000, -0.0000116700000000 ] - [ -0.0218470900000000, 0.0161484100000000, -0.0215727700000000 ] - [ 0.0011196000000000, 0.0009176200000000, -0.0001074900000000 ] - [ 0.0008670600000000, 0.0008313400000000, -0.0001561300000000 ] - [ 0.0008728800000000, 0.0009558600000000, 0.0003101200000000 ] - [ 0.0010410500000000, 0.0001796000000000, -0.0003137200000000 ] - [ 0.0009488300000000, -0.0009278800000000, -0.0003211700000000 ] - [ 0.0009605900000000, -0.0007114200000000, -0.0000429600000000 ] - [ 0.0010361800000000, -0.0006332600000000, -0.0001286000000000 ] - [ 0.0010285200000000, -0.0007279200000000, -0.0001078700000000 ] - [ 0.0007659900000000, -0.0004571000000000, -0.0006081400000000 ] - [ 0.0010152700000000, -0.0010740500000000, 0.0001512000000000 ] - [ -0.0003617900000000, 0.0003632500000000, -0.0007152700000000 ] - [ -0.0004411300000000, 0.0003415900000000, -0.0006961200000000 ] - [ -0.0003893300000000, 0.0003274100000000, -0.0006775500000000 ] - [ -0.0004573100000000, 0.0003104000000000, -0.0006618200000000 ] - [ -0.0003848700000000, 0.0002885500000000, -0.0006034600000000 ] - [ -0.0004148700000000, 0.0003881600000000, -0.0007565700000000 ] - [ -0.0003844900000000, -0.0002897400000000, -0.0006009800000000 ] - [ -0.0039381600000000, 0.0048920400000000, -0.0009484400000000 ] - [ -0.0004206300000000, -0.0003368100000000, -0.0006839700000000 ] - [ -0.0004075400000000, -0.0003429000000000, -0.0006781400000000 ] - [ -0.0009788500000000, -0.0001997400000000, -0.0004081800000000 ] - [ -0.0006424900000000, -0.0001779600000000, -0.0004813400000000 ] - [ 0.0001354500000000, -0.0000272600000000, -0.0001300800000000 ] - [ 0.0000491900000000, 0.0000177400000000, -0.0001654700000000 ] - [ 0.0000929100000000, -0.0000111100000000, -0.0001237500000000 ] - [ 0.0001327500000000, -0.0001562200000000, -0.0000954400000000 ] - [ 0.0003644400000000, 0.0001694100000000, -0.0004502800000000 ] - [ 0.0005508400000000, -0.0000635200000000, 0.0003239000000000 ] - [ 0.0007814400000000, -0.0001466900000000, -0.0000923300000000 ] - [ -0.0003079500000000, -0.0000340200000000, 0.0000451800000000 ] - [ 0.0003538400000000, -0.0000804700000000, -0.0000437400000000 ] - [ 0.0000437900000000, -0.0000234000000000, -0.0001287400000000 ] - [ 0.0001152600000000, 0.0001089700000000, -0.0000469200000000 ] - [ 0.0000847000000000, -0.0001572100000000, -0.0003097200000000 ] - [ 0.0004929200000000, -0.0009417900000000, -0.0003342800000000 ] - [ 0.0005424800000000, -0.0010074500000000, -0.0002804800000000 ] - [ 0.0005067300000000, -0.0011359700000000, -0.0002051300000000 ] - [ 0.0005264600000000, -0.0009962200000000, -0.0002803600000000 ] - [ 0.0005792900000000, -0.0010461700000000, 0.0003962500000000 ] - [ 0.0005795400000000, -0.0009687300000000, -0.0003402000000000 ] - [ -0.0005217400000000, 0.0010841100000000, 0.0009280400000000 ] - [ -0.0011862300000000, 0.0010535800000000, -0.0021127400000000 ] - [ 0.0004410400000000, 0.0009308000000000, -0.0002747100000000 ] - [ 0.0005617300000000, 0.0011881700000000, -0.0003248100000000 ] - [ 0.0004791000000000, 0.0009591400000000, -0.0002961000000000 ] - [ 0.0005431600000000, 0.0010681700000000, -0.0002222000000000 ] - [ -0.0005369600000000, 0.0003463500000000, 0.0002520600000000 ] - [ -0.0003331000000000, 0.0001565100000000, 0.0003992200000000 ] - [ -0.0005658800000000, 0.0002497700000000, 0.0002165400000000 ] - [ -0.0004375300000000, 0.0002914400000000, 0.0003728600000000 ] - [ 0.0007427600000000, 0.0003806100000000, 0.0024021900000000 ] - [ -0.0004092100000000, 0.0003396700000000, 0.0003021300000000 ] - [ -0.0005157500000000, -0.0002958800000000, 0.0004836000000000 ] - [ -0.0002749500000000, -0.0002872600000000, 0.0004662400000000 ] - [ -0.0005231300000000, -0.0003656800000000, 0.0003812900000000 ] - [ -0.0004499100000000, -0.0001502000000000, 0.0003302100000000 ] - [ -0.0005596000000000, -0.0003602800000000, 0.0003690900000000 ] - [ -0.0004272600000000, -0.0002861800000000, 0.0003643900000000 ] - [ 0.0001979500000000, 0.0005474000000000, 0.0008357300000000 ] - [ 0.0001238600000000, -0.0002328100000000, 0.0004021500000000 ] - [ 0.0000524600000000, -0.0003080600000000, 0.0004030800000000 ] - [ 0.0000806800000000, -0.0002849100000000, 0.0004407900000000 ] - [ 0.0000862700000000, -0.0005885800000000, 0.0004472600000000 ] - [ 0.0000806600000000, -0.0001877500000000, 0.0004664700000000 ] - [ 0.0000338600000000, 0.0001718300000000, 0.0004502500000000 ] - [ 0.0001590600000000, 0.0009370600000000, 0.0004190500000000 ] - [ 0.0000749200000000, 0.0001499300000000, 0.0004772200000000 ] - [ 0.0000806400000000, 0.0002347100000000, 0.0004770700000000 ] - [ 0.0000282900000000, 0.0004994100000000, 0.0004743800000000 ] - [ 0.0001355400000000, 0.0003056600000000, 0.0004823500000000 ] - [ 0.0020743800000000, -0.0033105800000000, 0.0027849700000000 ] - [ -0.0013312000000000, -0.0015362200000000, -0.0003262700000000 ] - [ -0.0011133600000000, -0.0013372800000000, -0.0003433600000000 ] - [ -0.0012076200000000, -0.0014049100000000, -0.0003508400000000 ] - [ -0.0009218600000000, -0.0010291700000000, -0.0002054000000000 ] - [ -0.0010050000000000, -0.0012826300000000, -0.0004113000000000 ] - [ -0.0010387200000000, 0.0012925000000000, -0.0003505900000000 ] - [ -0.0012056500000000, 0.0013562600000000, -0.0003433200000000 ] - [ -0.0011175800000000, 0.0013325400000000, -0.0003438500000000 ] - [ -0.0011289600000000, 0.0013317500000000, -0.0003462500000000 ] - [ -0.0011880200000000, 0.0014335000000000, -0.0003590200000000 ] - [ -0.0010314400000000, 0.0012543000000000, -0.0003132800000000 ] - [ 0.0261101100000000, -0.0179548400000000, 0.0192589600000000 ] - [ -0.0000873400000000, 0.0002078000000000, 0.0004048000000000 ] - [ -0.0000215300000000, 0.0001470400000000, 0.0004978400000000 ] - [ -0.0000394100000000, 0.0001703800000000, 0.0004575100000000 ] - [ -0.0000198300000000, 0.0002290700000000, 0.0004193000000000 ] - [ -0.0000389300000000, 0.0001724200000000, 0.0004186100000000 ] - [ -0.0000109500000000, -0.0001624500000000, 0.0004534900000000 ] - [ 0.0000095300000000, -0.0001182400000000, 0.0005478300000000 ] - [ -0.0000143200000000, -0.0001517300000000, 0.0004719300000000 ] - [ -0.0000631000000000, -0.0002038200000000, 0.0004281400000000 ] - [ -0.0000424200000000, -0.0001807400000000, 0.0004272500000000 ] - [ -0.0000420100000000, -0.0002190600000000, 0.0004990400000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004335000000000, 0.0004418800000000, -0.0002734800000000 ] - [ -0.0000502600000000, 0.0004352600000000, -0.0005962100000000 ] - [ 0.0003389200000000, 0.0009871400000000, 0.0003071500000000 ] - [ 0.0005341100000000, 0.0006670100000000, 0.0003088800000000 ] - [ 0.0004993600000000, 0.0009240900000000, 0.0002830800000000 ] - [ 0.0002917700000000, 0.0007187100000000, 0.0001949000000000 ] - [ 0.0004398000000000, -0.0007969000000000, 0.0004464100000000 ] - [ 0.0001924200000000, -0.0007807200000000, 0.0002027900000000 ] - [ 0.0004056700000000, -0.0004371200000000, 0.0003864300000000 ] - [ 0.0003514000000000, -0.0009613800000000, 0.0002468400000000 ] - [ -0.0005007000000000, -0.0036515500000000, -0.0027229600000000 ] - [ 0.0001175300000000, -0.0011019300000000, 0.0006316600000000 ] - [ 0.0015814600000000, 0.0012809300000000, -0.0001623200000000 ] - [ -0.0135491000000000, 0.0321153100000000, -0.0262422600000000 ] - [ 0.0010238400000000, 0.0008173200000000, -0.0001424400000000 ] - [ 0.0010161500000000, 0.0005529800000000, -0.0002805300000000 ] - [ 0.0008542500000000, 0.0008527500000000, 0.0002664000000000 ] - [ 0.0008229800000000, 0.0000381700000000, -0.0002050200000000 ] - [ 0.0010566900000000, -0.0007189300000000, -0.0000966200000000 ] - [ 0.0009560800000000, -0.0005248700000000, -0.0000107600000000 ] - [ 0.0010440500000000, -0.0006636900000000, -0.0001117900000000 ] - [ 0.0009891300000000, -0.0007676700000000, -0.0000848200000000 ] - [ 0.0008998700000000, -0.0004431300000000, -0.0006260700000000 ] - [ 0.0010041400000000, -0.0010051500000000, 0.0000331900000000 ] - [ -0.0003734100000000, 0.0003454200000000, -0.0007302000000000 ] - [ -0.0004136700000000, 0.0003431000000000, -0.0007130200000000 ] - [ -0.0004033100000000, 0.0003206300000000, -0.0006747300000000 ] - [ -0.0004201300000000, 0.0003275100000000, -0.0006796300000000 ] - [ -0.0003973700000000, 0.0002821200000000, -0.0005935200000000 ] - [ -0.0004107300000000, 0.0003765800000000, -0.0007342000000000 ] - [ -0.0004778700000000, -0.0002869500000000, -0.0006379400000000 ] - [ -0.0062886200000000, 0.0048789000000000, -0.0012866100000000 ] - [ -0.0004051600000000, -0.0003363500000000, -0.0006893700000000 ] - [ -0.0004307800000000, -0.0002949300000000, -0.0006320300000000 ] - [ -0.0009691900000000, -0.0000908000000000, -0.0003660300000000 ] - [ -0.0004928500000000, -0.0000729000000000, -0.0005244000000000 ] - [ 0.0001449200000000, -0.0000389700000000, -0.0000681700000000 ] - [ 0.0000692700000000, -0.0000149700000000, -0.0001350500000000 ] - [ 0.0000854800000000, 0.0000045800000000, -0.0001266200000000 ] - [ 0.0000988100000000, -0.0001048900000000, -0.0001067500000000 ] - [ 0.0002129200000000, 0.0001916300000000, -0.0004027100000000 ] - [ 0.0007358600000000, -0.0000204300000000, 0.0006048100000000 ] - [ 0.0005645900000000, -0.0004402500000000, 0.0002963500000000 ] - [ -0.0000860500000000, 0.0000360500000000, -0.0000502500000000 ] - [ -0.0001272900000000, 0.0003256400000000, -0.0001744000000000 ] - [ 0.0000584300000000, -0.0000147600000000, -0.0001295600000000 ] - [ 0.0001237900000000, 0.0001406900000000, -0.0000295100000000 ] - [ 0.0000824700000000, -0.0001715800000000, -0.0003239300000000 ] - [ 0.0005070200000000, -0.0009794900000000, -0.0002963400000000 ] - [ 0.0005657600000000, -0.0010381700000000, -0.0002421500000000 ] - [ 0.0005143000000000, -0.0010892300000000, -0.0002356000000000 ] - [ 0.0005269700000000, -0.0009834100000000, -0.0002838300000000 ] - [ 0.0005590800000000, -0.0009962400000000, 0.0002491600000000 ] - [ 0.0005734000000000, -0.0009628500000000, -0.0003392400000000 ] - [ 0.0003293100000000, 0.0008834600000000, 0.0000161200000000 ] - [ 0.0004456900000000, 0.0002724300000000, 0.0005239000000000 ] - [ 0.0005246700000000, 0.0009659500000000, -0.0002958000000000 ] - [ 0.0005342100000000, 0.0011391200000000, -0.0003117500000000 ] - [ 0.0004881700000000, 0.0009820600000000, -0.0002795200000000 ] - [ 0.0005781300000000, 0.0011124200000000, -0.0002133800000000 ] - [ -0.0005288800000000, 0.0002369200000000, 0.0002415100000000 ] - [ -0.0003284600000000, 0.0002469500000000, 0.0005784900000000 ] - [ -0.0005776100000000, 0.0002939800000000, 0.0002372000000000 ] - [ -0.0004681800000000, 0.0003293700000000, 0.0004010800000000 ] - [ 0.0006985500000000, 0.0040800100000000, 0.0019140000000000 ] - [ -0.0004218900000000, 0.0003344100000000, 0.0002724100000000 ] - [ -0.0004865900000000, -0.0002808200000000, 0.0005178200000000 ] - [ -0.0002915200000000, -0.0003114800000000, 0.0007255500000000 ] - [ -0.0005190900000000, -0.0003703800000000, 0.0003357100000000 ] - [ -0.0005478800000000, -0.0002455500000000, 0.0002621200000000 ] - [ -0.0005561200000000, -0.0003417300000000, 0.0003639100000000 ] - [ -0.0004292300000000, -0.0002644000000000, 0.0003704700000000 ] - [ 0.0000562000000000, 0.0005091400000000, 0.0005787200000000 ] - [ 0.0001160500000000, -0.0002115400000000, 0.0003605000000000 ] - [ 0.0000614400000000, -0.0003105400000000, 0.0004222600000000 ] - [ 0.0000912600000000, -0.0002975500000000, 0.0004593400000000 ] - [ 0.0001030200000000, -0.0004858900000000, 0.0004649600000000 ] - [ 0.0000882700000000, -0.0001757500000000, 0.0004800000000000 ] - [ 0.0000907800000000, 0.0001285000000000, 0.0005088600000000 ] - [ 0.0002946900000000, 0.0002731000000000, 0.0009342500000000 ] - [ 0.0000720700000000, 0.0001905000000000, 0.0004772500000000 ] - [ 0.0000938500000000, 0.0003227200000000, 0.0004839300000000 ] - [ 0.0000365900000000, 0.0004933500000000, 0.0004540700000000 ] - [ 0.0001234900000000, 0.0004609000000000, 0.0004995900000000 ] - [ 0.0011670400000000, 0.0059434900000000, -0.0064075200000000 ] - [ -0.0014544500000000, -0.0016142200000000, -0.0003161600000000 ] - [ -0.0010944500000000, -0.0013092100000000, -0.0003412300000000 ] - [ -0.0011644000000000, -0.0013699900000000, -0.0003415600000000 ] - [ -0.0009526700000000, -0.0004342700000000, 0.0000335000000000 ] - [ -0.0010083700000000, -0.0012711700000000, -0.0003961200000000 ] - [ -0.0010127000000000, 0.0012330500000000, -0.0003390900000000 ] - [ -0.0012137200000000, 0.0013133400000000, -0.0003684700000000 ] - [ -0.0011173000000000, 0.0013323900000000, -0.0003466100000000 ] - [ -0.0011291300000000, 0.0013385500000000, -0.0003479300000000 ] - [ -0.0011839000000000, 0.0014186900000000, -0.0003487000000000 ] - [ -0.0010671000000000, 0.0012718300000000, -0.0003140000000000 ] - [ 0.0175485700000000, -0.0452887100000000, 0.0314063900000000 ] - [ -0.0000711800000000, 0.0001462400000000, 0.0004646800000000 ] - [ -0.0000934800000000, 0.0002332700000000, 0.0004120500000000 ] - [ -0.0000361100000000, 0.0001709800000000, 0.0004685400000000 ] - [ -0.0000096700000000, 0.0002324100000000, 0.0004053100000000 ] - [ -0.0000339400000000, 0.0001716100000000, 0.0004223800000000 ] - [ -0.0000262100000000, -0.0001947900000000, 0.0004349400000000 ] - [ 0.0000166900000000, -0.0000915100000000, 0.0005114500000000 ] - [ -0.0000171100000000, -0.0001540500000000, 0.0004715300000000 ] - [ -0.0000674500000000, -0.0002096600000000, 0.0004241300000000 ] - [ -0.0000450100000000, -0.0001850900000000, 0.0004467200000000 ] - [ -0.0000846500000000, -0.0002570300000000, 0.0004852400000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003026900000000, 0.0012937100000000, 0.0008206700000000 ] - [ 0.0007818700000000, 0.0013030800000000, 0.0011448500000000 ] - [ 0.0003968100000000, 0.0007509700000000, 0.0002406100000000 ] - [ 0.0001961100000000, 0.0010446900000000, 0.0002419600000000 ] - [ 0.0002316300000000, 0.0008090500000000, 0.0002685800000000 ] - [ 0.0004392800000000, 0.0010197300000000, 0.0003545900000000 ] - [ 0.0002939300000000, -0.0009399900000000, 0.0001059200000000 ] - [ 0.0005345400000000, -0.0009569400000000, 0.0003323300000000 ] - [ 0.0003292800000000, -0.0013088700000000, 0.0001566900000000 ] - [ 0.0003803000000000, -0.0007743100000000, 0.0003008800000000 ] - [ 0.0012374500000000, 0.0019298500000000, 0.0033060200000000 ] - [ 0.0006150400000000, -0.0006380800000000, -0.0000834200000000 ] - [ 0.0004930900000000, 0.0002673700000000, -0.0000879800000000 ] - [ 0.0149629100000000, -0.0299246200000000, 0.0249950400000000 ] - [ 0.0010434600000000, 0.0007275000000000, -0.0001024600000000 ] - [ 0.0010512200000000, 0.0009892900000000, 0.0000349800000000 ] - [ 0.0012177700000000, 0.0006896800000000, -0.0005136100000000 ] - [ 0.0012519700000000, 0.0015164000000000, -0.0000375600000000 ] - [ 0.0010158000000000, -0.0008191300000000, -0.0001373100000000 ] - [ 0.0011080000000000, -0.0010178200000000, -0.0002305100000000 ] - [ 0.0010253200000000, -0.0008835100000000, -0.0001308500000000 ] - [ 0.0010787900000000, -0.0007797400000000, -0.0001579200000000 ] - [ 0.0011696300000000, -0.0011118300000000, 0.0003890200000000 ] - [ 0.0010648200000000, -0.0005415000000000, -0.0002788100000000 ] - [ -0.0004432500000000, 0.0003198000000000, -0.0006346700000000 ] - [ -0.0004016100000000, 0.0003232100000000, -0.0006515100000000 ] - [ -0.0004126100000000, 0.0003447700000000, -0.0006890200000000 ] - [ -0.0003971700000000, 0.0003376600000000, -0.0006837800000000 ] - [ -0.0004194400000000, 0.0003846900000000, -0.0007719600000000 ] - [ -0.0004051800000000, 0.0002881900000000, -0.0006283600000000 ] - [ -0.0003407200000000, -0.0003769700000000, -0.0007243600000000 ] - [ 0.0053829700000000, -0.0054794500000000, -0.0001128400000000 ] - [ -0.0004107100000000, -0.0003292600000000, -0.0006745000000000 ] - [ -0.0003854800000000, -0.0003706800000000, -0.0007317000000000 ] - [ 0.0001521700000000, -0.0005756400000000, -0.0009955500000000 ] - [ -0.0003251900000000, -0.0006015100000000, -0.0008411800000000 ] - [ 0.0000085100000000, 0.0000051400000000, -0.0001745300000000 ] - [ 0.0000881300000000, -0.0000213400000000, -0.0001075500000000 ] - [ 0.0000784500000000, -0.0000424000000000, -0.0001155100000000 ] - [ 0.0000541100000000, 0.0000714500000000, -0.0001362400000000 ] - [ -0.0000578000000000, -0.0002281500000000, 0.0001632200000000 ] - [ -0.0005926800000000, -0.0000094900000000, -0.0008580400000000 ] - [ -0.0004057200000000, 0.0004786000000000, -0.0005257100000000 ] - [ 0.0002490900000000, 0.0000032400000000, -0.0001914900000000 ] - [ 0.0002892700000000, -0.0002841000000000, -0.0000671500000000 ] - [ 0.0000891000000000, 0.0000478700000000, -0.0001140400000000 ] - [ 0.0000339900000000, -0.0001056600000000, -0.0002161900000000 ] - [ 0.0000837400000000, 0.0002128000000000, 0.0000826800000000 ] - [ 0.0005255300000000, -0.0010037100000000, -0.0002698400000000 ] - [ 0.0004700700000000, -0.0009435200000000, -0.0003268000000000 ] - [ 0.0005191000000000, -0.0008908600000000, -0.0003343300000000 ] - [ 0.0005021100000000, -0.0010008400000000, -0.0002768900000000 ] - [ 0.0004754600000000, -0.0009811600000000, -0.0008253900000000 ] - [ 0.0004581400000000, -0.0010174600000000, -0.0002286800000000 ] - [ 0.0006954100000000, 0.0011006400000000, -0.0005736200000000 ] - [ 0.0005927600000000, 0.0017084500000000, -0.0010850200000000 ] - [ 0.0005118300000000, 0.0010148700000000, -0.0002785300000000 ] - [ 0.0004979000000000, 0.0008471300000000, -0.0002486900000000 ] - [ 0.0005403800000000, 0.0010042000000000, -0.0002789300000000 ] - [ 0.0004515600000000, 0.0008674600000000, -0.0003555500000000 ] - [ -0.0004581400000000, 0.0003953600000000, 0.0004620800000000 ] - [ -0.0006586400000000, 0.0003961000000000, 0.0001427600000000 ] - [ -0.0004061600000000, 0.0003411000000000, 0.0004716700000000 ] - [ -0.0005216300000000, 0.0003014400000000, 0.0002978000000000 ] - [ -0.0016354200000000, -0.0035758100000000, -0.0011932200000000 ] - [ -0.0005643600000000, 0.0002995500000000, 0.0004354700000000 ] - [ -0.0005018800000000, -0.0003494600000000, 0.0001829100000000 ] - [ -0.0006939600000000, -0.0003219000000000, -0.0000208500000000 ] - [ -0.0004634300000000, -0.0002659100000000, 0.0003761300000000 ] - [ -0.0004423700000000, -0.0003822000000000, 0.0004321300000000 ] - [ -0.0004328400000000, -0.0002863100000000, 0.0003322200000000 ] - [ -0.0005572600000000, -0.0003685600000000, 0.0003343900000000 ] - [ 0.0000949700000000, -0.0009932300000000, 0.0003345100000000 ] - [ 0.0000397800000000, -0.0002627000000000, 0.0005611100000000 ] - [ 0.0000930000000000, -0.0001643800000000, 0.0004994800000000 ] - [ 0.0000650300000000, -0.0001829300000000, 0.0004645400000000 ] - [ 0.0000525600000000, 0.0000103000000000, 0.0004581600000000 ] - [ 0.0000668900000000, -0.0002916000000000, 0.0004432900000000 ] - [ 0.0000642000000000, 0.0003542800000000, 0.0004141000000000 ] - [ -0.0001583100000000, 0.0002305800000000, -0.0000439100000000 ] - [ 0.0000810400000000, 0.0002753800000000, 0.0004461200000000 ] - [ 0.0000588800000000, 0.0001485700000000, 0.0004375200000000 ] - [ 0.0001166400000000, -0.0000258700000000, 0.0004689100000000 ] - [ 0.0000303400000000, 0.0000135600000000, 0.0004229600000000 ] - [ -0.0034129000000000, -0.0085193000000000, 0.0055937000000000 ] - [ -0.0008309700000000, -0.0010882800000000, -0.0003749800000000 ] - [ -0.0011892700000000, -0.0013893000000000, -0.0003511700000000 ] - [ -0.0011186200000000, -0.0013286100000000, -0.0003492700000000 ] - [ -0.0013312100000000, -0.0022959900000000, -0.0007388400000000 ] - [ -0.0012758700000000, -0.0014283700000000, -0.0002952300000000 ] - [ -0.0012702800000000, 0.0014641200000000, -0.0003520900000000 ] - [ -0.0010703800000000, 0.0013852400000000, -0.0003232000000000 ] - [ -0.0011668700000000, 0.0013668300000000, -0.0003458800000000 ] - [ -0.0011557900000000, 0.0013611900000000, -0.0003431400000000 ] - [ -0.0011001100000000, 0.0012800300000000, -0.0003420200000000 ] - [ -0.0012188500000000, 0.0014294700000000, -0.0003781700000000 ] - [ -0.0169205900000000, 0.0449202600000000, -0.0293233300000000 ] - [ 0.0000124900000000, 0.0001884100000000, 0.0004692400000000 ] - [ 0.0000318600000000, 0.0001037300000000, 0.0005194500000000 ] - [ -0.0000218700000000, 0.0001636600000000, 0.0004658100000000 ] - [ -0.0000497200000000, 0.0001027100000000, 0.0005273700000000 ] - [ -0.0000252900000000, 0.0001637800000000, 0.0005108900000000 ] - [ -0.0000331700000000, -0.0001416200000000, 0.0004976600000000 ] - [ -0.0000753600000000, -0.0002443000000000, 0.0004193600000000 ] - [ -0.0000420000000000, -0.0001803800000000, 0.0004613400000000 ] - [ 0.0000091500000000, -0.0001258200000000, 0.0005088900000000 ] - [ -0.0000136500000000, -0.0001494000000000, 0.0004867100000000 ] - [ 0.0000264600000000, -0.0000763400000000, 0.0004471500000000 ]- atom: 97 displacement: [ -0.0021219046125690, 0.0000000000000000, 0.0097722832958914 ] forces: - [ 0.0000872900000000, 0.0011297000000000, 0.0007663500000000 ] - [ -0.0000156000000000, 0.0005605100000000, 0.0007049800000000 ] - [ 0.0003862300000000, 0.0007520100000000, 0.0002528600000000 ] - [ 0.0003839100000000, 0.0025866400000000, 0.0007377000000000 ] - [ 0.0002481600000000, 0.0008488300000000, 0.0002643900000000 ] - [ 0.0004289500000000, 0.0010467900000000, 0.0004059700000000 ] - [ 0.0003097300000000, -0.0009258600000000, 0.0000746200000000 ] - [ 0.0002914600000000, -0.0009887200000000, 0.0000572100000000 ] - [ 0.0003387200000000, -0.0010709900000000, 0.0001806700000000 ] - [ 0.0003719700000000, -0.0007781000000000, 0.0002866500000000 ] - [ 0.0008292300000000, -0.0004891800000000, 0.0015227500000000 ] - [ 0.0004988700000000, -0.0006413500000000, -0.0000929200000000 ] - [ 0.0006207500000000, 0.0005092700000000, -0.0001069900000000 ] - [ 0.0151373800000000, -0.0204527500000000, 0.0389296300000000 ] - [ 0.0010685100000000, 0.0007867000000000, -0.0000548600000000 ] - [ 0.0010332200000000, 0.0010382900000000, 0.0001143500000000 ] - [ 0.0010807400000000, 0.0006752300000000, -0.0003370900000000 ] - [ 0.0014353200000000, 0.0016362100000000, 0.0001436200000000 ] - [ 0.0009709300000000, -0.0008713200000000, -0.0002463300000000 ] - [ 0.0011750200000000, -0.0008291100000000, -0.0004711100000000 ] - [ 0.0009812400000000, -0.0007841400000000, -0.0001666900000000 ] - [ 0.0010591500000000, -0.0007346700000000, -0.0002295600000000 ] - [ 0.0010511100000000, -0.0008076700000000, 0.0000220400000000 ] - [ 0.0010517000000000, -0.0006304000000000, -0.0002691400000000 ] - [ -0.0004239400000000, 0.0003312400000000, -0.0006543500000000 ] - [ -0.0004991800000000, 0.0002557700000000, -0.0005949900000000 ] - [ -0.0004131700000000, 0.0003343200000000, -0.0006787800000000 ] - [ -0.0003468600000000, 0.0003552400000000, -0.0006932400000000 ] - [ -0.0004167200000000, 0.0003450200000000, -0.0007036200000000 ] - [ -0.0004304700000000, 0.0002852800000000, -0.0006305800000000 ] - [ -0.0004356000000000, -0.0003725100000000, -0.0007366300000000 ] - [ -0.0011491500000000, 0.0010720500000000, -0.0061232800000000 ] - [ -0.0004225000000000, -0.0003290700000000, -0.0006842300000000 ] - [ -0.0003907800000000, -0.0003908900000000, -0.0007515700000000 ] - [ -0.0000023700000000, -0.0004142300000000, -0.0008686400000000 ] - [ -0.0002322900000000, -0.0005468600000000, -0.0009071600000000 ] - [ 0.0000479300000000, -0.0000713300000000, -0.0001279200000000 ] - [ 0.0000946700000000, -0.0000388100000000, -0.0000886100000000 ] - [ 0.0000912600000000, -0.0000649200000000, -0.0000907500000000 ] - [ 0.0000911500000000, 0.0000054000000000, -0.0001138000000000 ] - [ 0.0000756200000000, -0.0001756300000000, 0.0000777400000000 ] - [ 0.0000040800000000, -0.0000194800000000, -0.0003366400000000 ] - [ 0.0005978900000000, 0.0003220100000000, 0.0028273500000000 ] - [ 0.0001551000000000, -0.0000051200000000, -0.0001681700000000 ] - [ 0.0001252000000000, -0.0004119400000000, -0.0001664900000000 ] - [ 0.0001050500000000, 0.0000354700000000, -0.0001340900000000 ] - [ 0.0000277300000000, -0.0001033100000000, -0.0002294900000000 ] - [ 0.0000936200000000, 0.0001722000000000, 0.0000383800000000 ] - [ 0.0005200500000000, -0.0010176400000000, -0.0002327100000000 ] - [ 0.0004849100000000, -0.0010065100000000, -0.0001878800000000 ] - [ 0.0005174200000000, -0.0009604500000000, -0.0002823700000000 ] - [ 0.0005081800000000, -0.0010143100000000, -0.0002581400000000 ] - [ 0.0004923000000000, -0.0009710200000000, -0.0002367300000000 ] - [ 0.0004931800000000, -0.0010338400000000, -0.0002097000000000 ] - [ -0.0003700600000000, 0.0010808100000000, 0.0002288700000000 ] - [ 0.0017056900000000, 0.0016312400000000, -0.0003236300000000 ] - [ 0.0004745700000000, 0.0009858700000000, -0.0002796200000000 ] - [ 0.0005811600000000, 0.0007984100000000, -0.0005611300000000 ] - [ 0.0005444700000000, 0.0010123000000000, -0.0002768600000000 ] - [ 0.0003897100000000, 0.0007891900000000, -0.0004102700000000 ] - [ -0.0004959400000000, 0.0003221000000000, 0.0004581900000000 ] - [ -0.0004968100000000, 0.0004366800000000, 0.0006525600000000 ] - [ -0.0004199900000000, 0.0003082600000000, 0.0004303600000000 ] - [ -0.0005009500000000, 0.0002917300000000, 0.0003002800000000 ] - [ -0.0013857600000000, 0.0004152900000000, 0.0019222700000000 ] - [ -0.0005411000000000, 0.0003141900000000, 0.0004172500000000 ] - [ -0.0004906700000000, -0.0003179400000000, 0.0002024600000000 ] - [ -0.0004353100000000, -0.0002476800000000, 0.0002752500000000 ] - [ -0.0004922300000000, -0.0002769300000000, 0.0003534400000000 ] - [ -0.0003567700000000, -0.0007616300000000, 0.0006491300000000 ] - [ -0.0004686600000000, -0.0003122400000000, 0.0003380500000000 ] - [ -0.0005402400000000, -0.0003533200000000, 0.0003259500000000 ] - [ 0.0000451100000000, -0.0005518400000000, 0.0004112700000000 ] - [ 0.0000729400000000, -0.0002080900000000, 0.0005736600000000 ] - [ 0.0000902800000000, -0.0001605400000000, 0.0005041100000000 ] - [ 0.0000868600000000, -0.0001340100000000, 0.0005091900000000 ] - [ 0.0000566600000000, -0.0000739000000000, 0.0004629600000000 ] - [ 0.0000705900000000, -0.0002714600000000, 0.0004535000000000 ] - [ 0.0000702900000000, 0.0003260400000000, 0.0004125000000000 ] - [ 0.0006062300000000, -0.0021286500000000, 0.0012297600000000 ] - [ 0.0000778700000000, 0.0002422000000000, 0.0004431800000000 ] - [ 0.0000680500000000, 0.0001318400000000, 0.0004485200000000 ] - [ 0.0001217600000000, 0.0000894200000000, 0.0004417700000000 ] - [ 0.0000557300000000, 0.0003180900000000, 0.0003827300000000 ] - [ -0.0035733500000000, -0.0067180300000000, 0.0014185200000000 ] - [ -0.0009636300000000, -0.0012258000000000, -0.0002193000000000 ] - [ -0.0011890900000000, -0.0013959400000000, -0.0003600200000000 ] - [ -0.0011405000000000, -0.0013340700000000, -0.0003503800000000 ] - [ -0.0016798300000000, -0.0013979100000000, -0.0001505700000000 ] - [ -0.0012352500000000, -0.0014278600000000, -0.0003038200000000 ] - [ -0.0012344800000000, 0.0014198400000000, -0.0003343200000000 ] - [ -0.0011090500000000, 0.0013647000000000, -0.0003455800000000 ] - [ -0.0011593500000000, 0.0013562300000000, -0.0003417900000000 ] - [ -0.0011147200000000, 0.0013267500000000, -0.0003363200000000 ] - [ -0.0011182200000000, 0.0013215600000000, -0.0003375800000000 ] - [ -0.0011524100000000, 0.0013695800000000, -0.0003554200000000 ] - [ -0.0114363400000000, 0.0258023800000000, -0.0427581700000000 ] - [ 0.0000215400000000, 0.0001702100000000, 0.0004818200000000 ] - [ 0.0000209800000000, 0.0001010600000000, 0.0004986200000000 ] - [ 0.0000184600000000, 0.0001220700000000, 0.0004846100000000 ] - [ -0.0000556200000000, 0.0001260700000000, 0.0004816700000000 ] - [ -0.0000202000000000, 0.0001676500000000, 0.0004757600000000 ] - [ -0.0000119300000000, -0.0001331700000000, 0.0005222400000000 ] - [ -0.0000972400000000, -0.0001994300000000, 0.0004376900000000 ] - [ -0.0000290200000000, -0.0001668100000000, 0.0004778200000000 ] - [ 0.0000020200000000, -0.0001327100000000, 0.0005002600000000 ] - [ 0.0000077200000000, -0.0001486800000000, 0.0004764300000000 ] - [ -0.0000602900000000, -0.0001951300000000, 0.0004201000000000 ]- atom: 97 displacement: [ 0.0021219046125690, 0.0000000000000000, -0.0097722832958914 ] forces: - [ 0.0006509100000000, 0.0006003600000000, -0.0002391600000000 ] - [ 0.0007575600000000, 0.0011792100000000, -0.0001689900000000 ] - [ 0.0003465800000000, 0.0009878600000000, 0.0002917000000000 ] - [ 0.0003470700000000, -0.0008576700000000, -0.0001921700000000 ] - [ 0.0004850100000000, 0.0008859700000000, 0.0002808700000000 ] - [ 0.0002991500000000, 0.0006891600000000, 0.0001356600000000 ] - [ 0.0004213900000000, -0.0008132400000000, 0.0004724200000000 ] - [ 0.0004441700000000, -0.0007490400000000, 0.0004871600000000 ] - [ 0.0003981200000000, -0.0006643100000000, 0.0003633500000000 ] - [ 0.0003619700000000, -0.0009548200000000, 0.0002605500000000 ] - [ -0.0000994000000000, -0.0012675500000000, -0.0009896900000000 ] - [ 0.0002399200000000, -0.0010910400000000, 0.0006371000000000 ] - [ 0.0014590100000000, 0.0010473300000000, -0.0001313200000000 ] - [ -0.0136103500000000, 0.0227400800000000, -0.0396758600000000 ] - [ 0.0009980700000000, 0.0007593200000000, -0.0001879600000000 ] - [ 0.0010351100000000, 0.0005065400000000, -0.0003549300000000 ] - [ 0.0009908500000000, 0.0008667300000000, 0.0000927400000000 ] - [ 0.0006091400000000, -0.0001016900000000, -0.0003809700000000 ] - [ 0.0010957800000000, -0.0006782600000000, 0.0000017300000000 ] - [ 0.0008928000000000, -0.0007201100000000, 0.0002268300000000 ] - [ 0.0010862800000000, -0.0007619100000000, -0.0000759600000000 ] - [ 0.0010089500000000, -0.0008118800000000, -0.0000117600000000 ] - [ 0.0010153000000000, -0.0007350800000000, -0.0002674400000000 ] - [ 0.0010187300000000, -0.0009110900000000, 0.0000240200000000 ] - [ -0.0004007800000000, 0.0003295600000000, -0.0007059600000000 ] - [ -0.0003247100000000, 0.0004053500000000, -0.0007644900000000 ] - [ -0.0004117300000000, 0.0003256900000000, -0.0006808300000000 ] - [ -0.0004785700000000, 0.0003049400000000, -0.0006660600000000 ] - [ -0.0004085000000000, 0.0003150700000000, -0.0006557000000000 ] - [ -0.0003953800000000, 0.0003739000000000, -0.0007269100000000 ] - [ -0.0003919100000000, -0.0002875300000000, -0.0006226900000000 ] - [ 0.0003144800000000, -0.0017240600000000, 0.0048064100000000 ] - [ -0.0004020600000000, -0.0003314100000000, -0.0006751800000000 ] - [ -0.0004343600000000, -0.0002700700000000, -0.0006086300000000 ] - [ -0.0008292500000000, -0.0002421600000000, -0.0004807900000000 ] - [ -0.0005905700000000, -0.0001135300000000, -0.0004548100000000 ] - [ 0.0001145300000000, 0.0000395500000000, -0.0001195000000000 ] - [ 0.0000811000000000, 0.0000028600000000, -0.0001572000000000 ] - [ 0.0000914900000000, 0.0000261400000000, -0.0001547000000000 ] - [ 0.0000719100000000, -0.0000378100000000, -0.0001336800000000 ] - [ 0.0001025900000000, 0.0001341200000000, -0.0003189100000000 ] - [ 0.0001641900000000, -0.0000110700000000, 0.0000942700000000 ] - [ -0.0004452100000000, -0.0002983900000000, -0.0031781200000000 ] - [ 0.0000166500000000, 0.0000412000000000, -0.0000764500000000 ] - [ 0.0000531500000000, 0.0004500400000000, -0.0000787800000000 ] - [ 0.0000607300000000, -0.0000020500000000, -0.0001130100000000 ] - [ 0.0001321300000000, 0.0001348000000000, -0.0000181800000000 ] - [ 0.0000860200000000, -0.0001331400000000, -0.0002840800000000 ] - [ 0.0005000400000000, -0.0009643500000000, -0.0003184300000000 ] - [ 0.0005393400000000, -0.0009719900000000, -0.0003728900000000 ] - [ 0.0005071900000000, -0.0010192400000000, -0.0002792000000000 ] - [ 0.0005087100000000, -0.0009711100000000, -0.0002863600000000 ] - [ 0.0005347000000000, -0.0010058000000000, -0.0003237300000000 ] - [ 0.0005246200000000, -0.0009516800000000, -0.0003367000000000 ] - [ 0.0014084500000000, 0.0008989700000000, -0.0007807200000000 ] - [ -0.0006819700000000, 0.0003498100000000, -0.0002271700000000 ] - [ 0.0005497300000000, 0.0009942400000000, -0.0002798200000000 ] - [ 0.0004374000000000, 0.0011855700000000, 0.0000149200000000 ] - [ 0.0004726200000000, 0.0009728600000000, -0.0002685600000000 ] - [ 0.0006412700000000, 0.0011903400000000, -0.0001556800000000 ] - [ -0.0004926300000000, 0.0003118800000000, 0.0002269400000000 ] - [ -0.0004868800000000, 0.0002005800000000, 0.0000399200000000 ] - [ -0.0005649900000000, 0.0003295500000000, 0.0002655300000000 ] - [ -0.0004912400000000, 0.0003394300000000, 0.0003789200000000 ] - [ 0.0004475200000000, 0.0001958300000000, -0.0011470600000000 ] - [ -0.0004502200000000, 0.0003163100000000, 0.0002623400000000 ] - [ -0.0004968000000000, -0.0003159500000000, 0.0004909500000000 ] - [ -0.0005509600000000, -0.0003891700000000, 0.0004191300000000 ] - [ -0.0004918800000000, -0.0003603000000000, 0.0003430500000000 ] - [ -0.0006327400000000, 0.0001300000000000, 0.0000341800000000 ] - [ -0.0005221500000000, -0.0003197200000000, 0.0003457800000000 ] - [ -0.0004400900000000, -0.0002874900000000, 0.0003801400000000 ] - [ 0.0001102000000000, 0.0000764300000000, 0.0005118200000000 ] - [ 0.0000794000000000, -0.0002476000000000, 0.0003462700000000 ] - [ 0.0000617500000000, -0.0002983700000000, 0.0004149800000000 ] - [ 0.0000665000000000, -0.0003399600000000, 0.0004103100000000 ] - [ 0.0000962000000000, -0.0004016200000000, 0.0004550600000000 ] - [ 0.0000817400000000, -0.0001826900000000, 0.0004661600000000 ] - [ 0.0000809800000000, 0.0001424700000000, 0.0005073200000000 ] - [ -0.0004673800000000, 0.0026040800000000, -0.0003277900000000 ] - [ 0.0000727700000000, 0.0002135200000000, 0.0004769700000000 ] - [ 0.0000843000000000, 0.0003463600000000, 0.0004709900000000 ] - [ 0.0000281200000000, 0.0003740100000000, 0.0004788200000000 ] - [ 0.0000963900000000, 0.0001469400000000, 0.0005389300000000 ] - [ 0.0012974700000000, 0.0040830700000000, -0.0021197600000000 ] - [ -0.0013183300000000, -0.0014741800000000, -0.0004694100000000 ] - [ -0.0010893600000000, -0.0012993800000000, -0.0003295700000000 ] - [ -0.0011373300000000, -0.0013609600000000, -0.0003375700000000 ] - [ -0.0005830500000000, -0.0012882500000000, -0.0005393500000000 ] - [ -0.0010428400000000, -0.0012672800000000, -0.0003851300000000 ] - [ -0.0010451700000000, 0.0012762900000000, -0.0003548700000000 ] - [ -0.0011696900000000, 0.0013305800000000, -0.0003426100000000 ] - [ -0.0011189600000000, 0.0013386900000000, -0.0003469600000000 ] - [ -0.0011639100000000, 0.0013683800000000, -0.0003518600000000 ] - [ -0.0011591700000000, 0.0013729400000000, -0.0003509400000000 ] - [ -0.0011252600000000, 0.0013252800000000, -0.0003335900000000 ] - [ 0.0118707600000000, -0.0262386200000000, 0.0442252400000000 ] - [ -0.0000759500000000, 0.0001535600000000, 0.0004539900000000 ] - [ -0.0000766800000000, 0.0002243800000000, 0.0004366100000000 ] - [ -0.0000730800000000, 0.0002024900000000, 0.0004520300000000 ] - [ 0.0000016200000000, 0.0001999800000000, 0.0004532500000000 ] - [ -0.0000351700000000, 0.0001571100000000, 0.0004600900000000 ] - [ -0.0000433700000000, -0.0001913300000000, 0.0004141300000000 ] - [ 0.0000421600000000, -0.0001244300000000, 0.0004990800000000 ] - [ -0.0000265300000000, -0.0001577900000000, 0.0004582500000000 ] - [ -0.0000572400000000, -0.0001930200000000, 0.0004351000000000 ] - [ -0.0000642500000000, -0.0001770500000000, 0.0004588200000000 ] - [ 0.0000053100000000, -0.0001294800000000, 0.0005157700000000 ]