# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/ce525af6-6b79-463c-aaed-202c3099fcdc/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 SiO2 / I4/mmm (139) / materials id 639511](https://mdr.nims.go.jp/datasets/8eb86bcc-745f-4a46-b026-a6a32780afa1) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "I4/mmm" number: 139 Hall_symbol: "-I 4 2"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ -7.036869245000000, 7.036869245000000, 4.969360520000000 ] # a - [ 7.036869245000000, -7.036869245000000, 4.969360520000000 ] # b - [ 7.036869245000000, 7.036869245000000, -4.969360520000000 ] # c points: - symbol: Si # 1 coordinates: [ 0.953837630000000, 0.109950940000000, 0.376526270000000 ] mass: 28.085500 - symbol: Si # 2 coordinates: [ 0.577311360000000, 0.953837630000000, 0.843886690000000 ] mass: 28.085500 - symbol: Si # 3 coordinates: [ 0.109950940000000, 0.733424670000000, 0.156113310000000 ] mass: 28.085500 - symbol: Si # 4 coordinates: [ 0.266575330000000, 0.890049060000000, 0.843886690000000 ] mass: 28.085500 - symbol: Si # 5 coordinates: [ 0.046162370000000, 0.422688640000000, 0.156113310000000 ] mass: 28.085500 - symbol: Si # 6 coordinates: [ 0.733424670000000, 0.577311360000000, 0.623473730000000 ] mass: 28.085500 - symbol: Si # 7 coordinates: [ 0.422688640000000, 0.266575330000000, 0.376526270000000 ] mass: 28.085500 - symbol: Si # 8 coordinates: [ 0.890049060000000, 0.046162370000000, 0.623473730000000 ] mass: 28.085500 - symbol: Si # 9 coordinates: [ 0.046162370000000, 0.890049060000000, 0.623473730000000 ] mass: 28.085500 - symbol: Si # 10 coordinates: [ 0.422688640000000, 0.046162370000000, 0.156113310000000 ] mass: 28.085500 - symbol: Si # 11 coordinates: [ 0.890049060000000, 0.266575330000000, 0.843886690000000 ] mass: 28.085500 - symbol: Si # 12 coordinates: [ 0.733424670000000, 0.109950940000000, 0.156113310000000 ] mass: 28.085500 - symbol: Si # 13 coordinates: [ 0.953837630000000, 0.577311360000000, 0.843886690000000 ] mass: 28.085500 - symbol: Si # 14 coordinates: [ 0.266575330000000, 0.422688640000000, 0.376526270000000 ] mass: 28.085500 - symbol: Si # 15 coordinates: [ 0.577311360000000, 0.733424670000000, 0.623473730000000 ] mass: 28.085500 - symbol: Si # 16 coordinates: [ 0.109950940000000, 0.953837630000000, 0.376526270000000 ] mass: 28.085500 - symbol: O # 17 coordinates: [ 0.983230980000000, 0.983230980000000, 0.340891620000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.642339360000000, 0.983230980000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.983230980000000, 0.642339360000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.357660640000000, 0.016769020000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.016769020000000, 0.357660640000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.642339360000000, 0.642339360000000, 0.659108380000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.357660640000000, 0.357660640000000, 0.340891620000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.016769020000000, 0.016769020000000, 0.659108380000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.122347520000000, 0.297478020000000, 0.419825540000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.702521980000000, 0.122347520000000, 0.824869500000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.297478020000000, 0.877652480000000, 0.175130500000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.122347520000000, 0.702521980000000, 0.824869500000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.877652480000000, 0.297478020000000, 0.175130500000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.877652480000000, 0.702521980000000, 0.580174460000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.297478020000000, 0.122347520000000, 0.419825540000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.702521980000000, 0.877652480000000, 0.580174460000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.809739940000000, 0.054240890000000, 0.244500950000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.565238990000000, 0.809739940000000, 0.755499050000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.054240890000000, 0.809739940000000, 0.244500950000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.190260060000000, 0.945759110000000, 0.755499050000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.190260060000000, 0.434761010000000, 0.244500950000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.809739940000000, 0.565238990000000, 0.755499050000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.434761010000000, 0.190260060000000, 0.244500950000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.945759110000000, 0.190260060000000, 0.755499050000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.897189670000000, 0.102810330000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.397189670000000, 0.897189670000000, 0.794379340000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.102810330000000, 0.602810330000000, 0.205620660000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.602810330000000, 0.397189670000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.102810330000000, 0.897189670000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.602810330000000, 0.102810330000000, 0.205620660000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.897189670000000, 0.397189670000000, 0.794379340000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.397189670000000, 0.602810330000000, 0.500000000000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ -0.000000000000000, 0.071054325807641, 0.100616567863746 ] # a* - [ 0.071054325807641, 0.000000000000000, 0.100616567863746 ] # b* - [ 0.071054325807641, 0.071054325807641, 0.000000000000000 ] # c*unit_cell: lattice: - [ 14.073738490000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 14.073738490000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.938721040000001 ] # c points: - symbol: Si # 1 coordinates: [ 0.766319790000000, 0.610206480000000, 0.343631150000000 ] mass: 28.085500 reduced_to: 1 - symbol: Si # 2 coordinates: [ 0.110206480000000, 0.733680210000000, 0.843631150000000 ] mass: 28.085500 reduced_to: 2 - symbol: Si # 3 coordinates: [ 0.889793520000000, 0.266319790000000, 0.843631150000000 ] mass: 28.085500 reduced_to: 3 - symbol: Si # 4 coordinates: [ 0.233680210000000, 0.610206480000000, 0.656368850000000 ] mass: 28.085500 reduced_to: 4 - symbol: Si # 5 coordinates: [ 0.766319790000000, 0.389793520000000, 0.656368850000000 ] mass: 28.085500 reduced_to: 5 - symbol: Si # 6 coordinates: [ 0.233680210000000, 0.389793520000000, 0.343631150000000 ] mass: 28.085500 reduced_to: 6 - symbol: Si # 7 coordinates: [ 0.110206480000000, 0.266319790000000, 0.156368850000000 ] mass: 28.085500 reduced_to: 7 - symbol: Si # 8 coordinates: [ 0.889793520000000, 0.733680210000000, 0.156368850000000 ] mass: 28.085500 reduced_to: 8 - symbol: Si # 9 coordinates: [ 0.233680210000000, 0.389793520000000, 0.656368850000000 ] mass: 28.085500 reduced_to: 9 - symbol: Si # 10 coordinates: [ 0.889793520000000, 0.266319790000000, 0.156368850000000 ] mass: 28.085500 reduced_to: 10 - symbol: Si # 11 coordinates: [ 0.110206480000000, 0.733680210000000, 0.156368850000000 ] mass: 28.085500 reduced_to: 11 - symbol: Si # 12 coordinates: [ 0.766319790000000, 0.389793520000000, 0.343631150000000 ] mass: 28.085500 reduced_to: 12 - symbol: Si # 13 coordinates: [ 0.233680210000000, 0.610206480000000, 0.343631150000000 ] mass: 28.085500 reduced_to: 13 - symbol: Si # 14 coordinates: [ 0.766319790000000, 0.610206480000000, 0.656368850000000 ] mass: 28.085500 reduced_to: 14 - symbol: Si # 15 coordinates: [ 0.889793520000000, 0.733680210000000, 0.843631150000000 ] mass: 28.085500 reduced_to: 15 - symbol: Si # 16 coordinates: [ 0.110206480000000, 0.266319790000000, 0.843631150000000 ] mass: 28.085500 reduced_to: 16 - symbol: Si # 17 coordinates: [ 0.266319790000000, 0.110206480000000, 0.843631150000000 ] mass: 28.085500 reduced_to: 1 - symbol: Si # 18 coordinates: [ 0.610206480000000, 0.233680210000000, 0.343631150000000 ] mass: 28.085500 reduced_to: 2 - symbol: Si # 19 coordinates: [ 0.389793520000000, 0.766319790000000, 0.343631150000000 ] mass: 28.085500 reduced_to: 3 - symbol: Si # 20 coordinates: [ 0.733680210000000, 0.110206480000000, 0.156368850000000 ] mass: 28.085500 reduced_to: 4 - symbol: Si # 21 coordinates: [ 0.266319790000000, 0.889793520000000, 0.156368850000000 ] mass: 28.085500 reduced_to: 5 - symbol: Si # 22 coordinates: [ 0.733680210000000, 0.889793520000000, 0.843631150000000 ] mass: 28.085500 reduced_to: 6 - symbol: Si # 23 coordinates: [ 0.610206480000000, 0.766319790000000, 0.656368850000000 ] mass: 28.085500 reduced_to: 7 - symbol: Si # 24 coordinates: [ 0.389793520000000, 0.233680210000000, 0.656368850000000 ] mass: 28.085500 reduced_to: 8 - symbol: Si # 25 coordinates: [ 0.733680210000000, 0.889793520000000, 0.156368850000000 ] mass: 28.085500 reduced_to: 9 - symbol: Si # 26 coordinates: [ 0.389793520000000, 0.766319790000000, 0.656368850000000 ] mass: 28.085500 reduced_to: 10 - symbol: Si # 27 coordinates: [ 0.610206480000000, 0.233680210000000, 0.656368850000000 ] mass: 28.085500 reduced_to: 11 - symbol: Si # 28 coordinates: [ 0.266319790000000, 0.889793520000000, 0.843631150000000 ] mass: 28.085500 reduced_to: 12 - symbol: Si # 29 coordinates: [ 0.733680210000000, 0.110206480000000, 0.843631150000000 ] mass: 28.085500 reduced_to: 13 - symbol: Si # 30 coordinates: [ 0.266319790000000, 0.110206480000000, 0.156368850000000 ] mass: 28.085500 reduced_to: 14 - symbol: Si # 31 coordinates: [ 0.389793520000000, 0.233680210000000, 0.343631150000000 ] mass: 28.085500 reduced_to: 15 - symbol: Si # 32 coordinates: [ 0.610206480000000, 0.766319790000000, 0.343631150000000 ] mass: 28.085500 reduced_to: 16 - symbol: O # 33 coordinates: [ 0.170445810000000, 0.170445810000000, 0.812785170000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.670445810000000, 0.329554190000000, 0.312785170000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.829554190000000, 0.170445810000000, 0.812785170000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.829554190000000, 0.170445810000000, 0.187214830000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.670445810000000, 0.329554190000000, 0.687214830000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.329554190000000, 0.329554190000000, 0.312785170000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.170445810000000, 0.170445810000000, 0.187214830000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.329554190000000, 0.329554190000000, 0.687214830000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.797478020000000, 0.622347520000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.122347520000000, 0.702521980000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.877652480000000, 0.297478020000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.202521980000000, 0.622347520000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.797478020000000, 0.377652480000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.202521980000000, 0.377652480000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.122347520000000, 0.297478020000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.877652480000000, 0.702521980000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.744500950000000, 0.500000000000000, 0.309739940000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.000000000000000, 0.755499050000000, 0.809739940000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.000000000000000, 0.244500950000000, 0.809739940000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.255499050000000, 0.500000000000000, 0.690260060000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.744500950000000, 0.500000000000000, 0.690260060000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.255499050000000, 0.500000000000000, 0.309739940000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.000000000000000, 0.244500950000000, 0.190260060000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.000000000000000, 0.755499050000000, 0.190260060000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.852810330000000, 0.647189670000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.147189670000000, 0.647189670000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.852810330000000, 0.352810330000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.147189670000000, 0.352810330000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.147189670000000, 0.352810330000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.852810330000000, 0.352810330000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.147189670000000, 0.647189670000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.852810330000000, 0.647189670000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.670445810000000, 0.670445810000000, 0.312785170000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 66 coordinates: [ 0.170445810000000, 0.829554190000000, 0.812785170000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 67 coordinates: [ 0.329554190000000, 0.670445810000000, 0.312785170000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 68 coordinates: [ 0.329554190000000, 0.670445810000000, 0.687214830000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 69 coordinates: [ 0.170445810000000, 0.829554190000000, 0.187214830000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 70 coordinates: [ 0.829554190000000, 0.829554190000000, 0.812785170000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 71 coordinates: [ 0.670445810000000, 0.670445810000000, 0.687214830000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 72 coordinates: [ 0.829554190000000, 0.829554190000000, 0.187214830000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 73 coordinates: [ 0.297478020000000, 0.122347520000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 74 coordinates: [ 0.622347520000000, 0.202521980000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 75 coordinates: [ 0.377652480000000, 0.797478020000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 76 coordinates: [ 0.702521980000000, 0.122347520000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 77 coordinates: [ 0.297478020000000, 0.877652480000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 78 coordinates: [ 0.702521980000000, 0.877652480000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 79 coordinates: [ 0.622347520000000, 0.797478020000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 80 coordinates: [ 0.377652480000000, 0.202521980000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 81 coordinates: [ 0.244500950000000, 0.000000000000000, 0.809739940000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 82 coordinates: [ 0.500000000000000, 0.255499050000000, 0.309739940000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 83 coordinates: [ 0.500000000000000, 0.744500950000000, 0.309739940000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 84 coordinates: [ 0.755499050000000, 0.000000000000000, 0.190260060000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 85 coordinates: [ 0.244500950000000, 0.000000000000000, 0.190260060000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 86 coordinates: [ 0.755499050000000, 0.000000000000000, 0.809739940000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 87 coordinates: [ 0.500000000000000, 0.744500950000000, 0.690260060000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 88 coordinates: [ 0.500000000000000, 0.255499050000000, 0.690260060000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 89 coordinates: [ 0.352810330000000, 0.147189670000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 90 coordinates: [ 0.647189670000000, 0.147189670000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 91 coordinates: [ 0.352810330000000, 0.852810330000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 92 coordinates: [ 0.647189670000000, 0.852810330000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 93 coordinates: [ 0.647189670000000, 0.852810330000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 94 coordinates: [ 0.352810330000000, 0.852810330000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 95 coordinates: [ 0.647189670000000, 0.147189670000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 96 coordinates: [ 0.352810330000000, 0.147189670000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 64supercell: lattice: - [ 14.073738490000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 14.073738490000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.938721040000001 ] # c points: - symbol: Si # 1 coordinates: [ 0.766319790000000, 0.610206480000000, 0.343631150000000 ] mass: 28.085500 reduced_to: 1 - symbol: Si # 2 coordinates: [ 0.110206480000000, 0.733680210000000, 0.843631150000000 ] mass: 28.085500 reduced_to: 2 - symbol: Si # 3 coordinates: [ 0.889793520000000, 0.266319790000000, 0.843631150000000 ] mass: 28.085500 reduced_to: 3 - symbol: Si # 4 coordinates: [ 0.233680210000000, 0.610206480000000, 0.656368850000000 ] mass: 28.085500 reduced_to: 4 - symbol: Si # 5 coordinates: [ 0.766319790000000, 0.389793520000000, 0.656368850000000 ] mass: 28.085500 reduced_to: 5 - symbol: Si # 6 coordinates: [ 0.233680210000000, 0.389793520000000, 0.343631150000000 ] mass: 28.085500 reduced_to: 6 - symbol: Si # 7 coordinates: [ 0.110206480000000, 0.266319790000000, 0.156368850000000 ] mass: 28.085500 reduced_to: 7 - symbol: Si # 8 coordinates: [ 0.889793520000000, 0.733680210000000, 0.156368850000000 ] mass: 28.085500 reduced_to: 8 - symbol: Si # 9 coordinates: [ 0.233680210000000, 0.389793520000000, 0.656368850000000 ] mass: 28.085500 reduced_to: 9 - symbol: Si # 10 coordinates: [ 0.889793520000000, 0.266319790000000, 0.156368850000000 ] mass: 28.085500 reduced_to: 10 - symbol: Si # 11 coordinates: [ 0.110206480000000, 0.733680210000000, 0.156368850000000 ] mass: 28.085500 reduced_to: 11 - symbol: Si # 12 coordinates: [ 0.766319790000000, 0.389793520000000, 0.343631150000000 ] mass: 28.085500 reduced_to: 12 - symbol: Si # 13 coordinates: [ 0.233680210000000, 0.610206480000000, 0.343631150000000 ] mass: 28.085500 reduced_to: 13 - symbol: Si # 14 coordinates: [ 0.766319790000000, 0.610206480000000, 0.656368850000000 ] mass: 28.085500 reduced_to: 14 - symbol: Si # 15 coordinates: [ 0.889793520000000, 0.733680210000000, 0.843631150000000 ] mass: 28.085500 reduced_to: 15 - symbol: Si # 16 coordinates: [ 0.110206480000000, 0.266319790000000, 0.843631150000000 ] mass: 28.085500 reduced_to: 16 - symbol: Si # 17 coordinates: [ 0.266319790000000, 0.110206480000000, 0.843631150000000 ] mass: 28.085500 reduced_to: 1 - symbol: Si # 18 coordinates: [ 0.610206480000000, 0.233680210000000, 0.343631150000000 ] mass: 28.085500 reduced_to: 2 - symbol: Si # 19 coordinates: [ 0.389793520000000, 0.766319790000000, 0.343631150000000 ] mass: 28.085500 reduced_to: 3 - symbol: Si # 20 coordinates: [ 0.733680210000000, 0.110206480000000, 0.156368850000000 ] mass: 28.085500 reduced_to: 4 - symbol: Si # 21 coordinates: [ 0.266319790000000, 0.889793520000000, 0.156368850000000 ] mass: 28.085500 reduced_to: 5 - symbol: Si # 22 coordinates: [ 0.733680210000000, 0.889793520000000, 0.843631150000000 ] mass: 28.085500 reduced_to: 6 - symbol: Si # 23 coordinates: [ 0.610206480000000, 0.766319790000000, 0.656368850000000 ] mass: 28.085500 reduced_to: 7 - symbol: Si # 24 coordinates: [ 0.389793520000000, 0.233680210000000, 0.656368850000000 ] mass: 28.085500 reduced_to: 8 - symbol: Si # 25 coordinates: [ 0.733680210000000, 0.889793520000000, 0.156368850000000 ] mass: 28.085500 reduced_to: 9 - symbol: Si # 26 coordinates: [ 0.389793520000000, 0.766319790000000, 0.656368850000000 ] mass: 28.085500 reduced_to: 10 - symbol: Si # 27 coordinates: [ 0.610206480000000, 0.233680210000000, 0.656368850000000 ] mass: 28.085500 reduced_to: 11 - symbol: Si # 28 coordinates: [ 0.266319790000000, 0.889793520000000, 0.843631150000000 ] mass: 28.085500 reduced_to: 12 - symbol: Si # 29 coordinates: [ 0.733680210000000, 0.110206480000000, 0.843631150000000 ] mass: 28.085500 reduced_to: 13 - symbol: Si # 30 coordinates: [ 0.266319790000000, 0.110206480000000, 0.156368850000000 ] mass: 28.085500 reduced_to: 14 - symbol: Si # 31 coordinates: [ 0.389793520000000, 0.233680210000000, 0.343631150000000 ] mass: 28.085500 reduced_to: 15 - symbol: Si # 32 coordinates: [ 0.610206480000000, 0.766319790000000, 0.343631150000000 ] mass: 28.085500 reduced_to: 16 - symbol: O # 33 coordinates: [ 0.170445810000000, 0.170445810000000, 0.812785170000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.670445810000000, 0.329554190000000, 0.312785170000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.829554190000000, 0.170445810000000, 0.812785170000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.829554190000000, 0.170445810000000, 0.187214830000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.670445810000000, 0.329554190000000, 0.687214830000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.329554190000000, 0.329554190000000, 0.312785170000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.170445810000000, 0.170445810000000, 0.187214830000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.329554190000000, 0.329554190000000, 0.687214830000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.797478020000000, 0.622347520000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.122347520000000, 0.702521980000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.877652480000000, 0.297478020000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.202521980000000, 0.622347520000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.797478020000000, 0.377652480000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.202521980000000, 0.377652480000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.122347520000000, 0.297478020000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.877652480000000, 0.702521980000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.744500950000000, 0.500000000000000, 0.309739940000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.000000000000000, 0.755499050000000, 0.809739940000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.000000000000000, 0.244500950000000, 0.809739940000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.255499050000000, 0.500000000000000, 0.690260060000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.744500950000000, 0.500000000000000, 0.690260060000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.255499050000000, 0.500000000000000, 0.309739940000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.000000000000000, 0.244500950000000, 0.190260060000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.000000000000000, 0.755499050000000, 0.190260060000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.852810330000000, 0.647189670000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.147189670000000, 0.647189670000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.852810330000000, 0.352810330000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.147189670000000, 0.352810330000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.147189670000000, 0.352810330000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.852810330000000, 0.352810330000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.147189670000000, 0.647189670000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.852810330000000, 0.647189670000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.670445810000000, 0.670445810000000, 0.312785170000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 66 coordinates: [ 0.170445810000000, 0.829554190000000, 0.812785170000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 67 coordinates: [ 0.329554190000000, 0.670445810000000, 0.312785170000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 68 coordinates: [ 0.329554190000000, 0.670445810000000, 0.687214830000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 69 coordinates: [ 0.170445810000000, 0.829554190000000, 0.187214830000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 70 coordinates: [ 0.829554190000000, 0.829554190000000, 0.812785170000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 71 coordinates: [ 0.670445810000000, 0.670445810000000, 0.687214830000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 72 coordinates: [ 0.829554190000000, 0.829554190000000, 0.187214830000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 73 coordinates: [ 0.297478020000000, 0.122347520000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 74 coordinates: [ 0.622347520000000, 0.202521980000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 75 coordinates: [ 0.377652480000000, 0.797478020000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 76 coordinates: [ 0.702521980000000, 0.122347520000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 77 coordinates: [ 0.297478020000000, 0.877652480000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 78 coordinates: [ 0.702521980000000, 0.877652480000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 79 coordinates: [ 0.622347520000000, 0.797478020000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 80 coordinates: [ 0.377652480000000, 0.202521980000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 81 coordinates: [ 0.244500950000000, 0.000000000000000, 0.809739940000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 82 coordinates: [ 0.500000000000000, 0.255499050000000, 0.309739940000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 83 coordinates: [ 0.500000000000000, 0.744500950000000, 0.309739940000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 84 coordinates: [ 0.755499050000000, 0.000000000000000, 0.190260060000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 85 coordinates: [ 0.244500950000000, 0.000000000000000, 0.190260060000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 86 coordinates: [ 0.755499050000000, 0.000000000000000, 0.809739940000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 87 coordinates: [ 0.500000000000000, 0.744500950000000, 0.690260060000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 88 coordinates: [ 0.500000000000000, 0.255499050000000, 0.690260060000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 89 coordinates: [ 0.352810330000000, 0.147189670000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 90 coordinates: [ 0.647189670000000, 0.147189670000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 91 coordinates: [ 0.352810330000000, 0.852810330000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 92 coordinates: [ 0.647189670000000, 0.852810330000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 93 coordinates: [ 0.647189670000000, 0.852810330000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 94 coordinates: [ 0.352810330000000, 0.852810330000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 95 coordinates: [ 0.647189670000000, 0.147189670000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 96 coordinates: [ 0.352810330000000, 0.147189670000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 64displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.4636737900000000, -0.0088519100000000, 0.0165815800000000 ] - [ 0.0044739600000000, 0.0009661400000000, -0.0020646500000000 ] - [ -0.0006174800000000, -0.0009579600000000, 0.0003520500000000 ] - [ 0.0045973800000000, 0.0000956000000000, -0.0003128100000000 ] - [ -0.0020418600000000, -0.0037649100000000, -0.0024611300000000 ] - [ 0.0024389800000000, -0.0006666200000000, 0.0001924400000000 ] - [ 0.0003045400000000, -0.0010846100000000, -0.0002358700000000 ] - [ 0.0162765500000000, 0.0390031300000000, -0.0310878400000000 ] - [ 0.0016667500000000, -0.0005054800000000, -0.0000815200000000 ] - [ -0.0014596900000000, -0.0005683700000000, 0.0008827400000000 ] - [ 0.0125426200000000, 0.0005823700000000, -0.0016014100000000 ] - [ -0.0061892700000000, 0.0062445700000000, -0.0024052900000000 ] - [ 0.0080965700000000, 0.0002431200000000, 0.0013067400000000 ] - [ -0.0115589000000000, -0.0011210400000000, 0.0082256900000000 ] - [ -0.0013480600000000, 0.0046540400000000, -0.0072681100000000 ] - [ 0.0004569100000000, -0.0006369700000000, 0.0000539900000000 ] - [ 0.0010429900000000, 0.0000175500000000, 0.0001417400000000 ] - [ 0.0003407300000000, 0.0017732100000000, -0.0002292300000000 ] - [ 0.0134583900000000, -0.0017601500000000, -0.0007769600000000 ] - [ -0.0013707400000000, -0.0002178800000000, 0.0004461600000000 ] - [ 0.0057942400000000, 0.0008178000000000, 0.0011369700000000 ] - [ -0.0063903300000000, 0.0014874900000000, -0.0002677300000000 ] - [ -0.0032682100000000, 0.0040787500000000, -0.0150935700000000 ] - [ 0.0010096000000000, -0.0000476200000000, -0.0006066800000000 ] - [ -0.0224209400000000, 0.0001063200000000, 0.0069287900000000 ] - [ 0.0044391200000000, 0.0001485000000000, -0.0030150500000000 ] - [ -0.0005246600000000, -0.0001433000000000, -0.0010983600000000 ] - [ 0.0034931200000000, 0.0006410500000000, -0.0003155700000000 ] - [ -0.0012626500000000, 0.0000180000000000, 0.0003628600000000 ] - [ 0.0012725100000000, -0.0000187800000000, 0.0000649200000000 ] - [ 0.0016537900000000, 0.0002052600000000, 0.0001385600000000 ] - [ 0.0331704400000000, -0.0473638400000000, -0.0059942100000000 ] - [ -0.0005816900000000, 0.0003138900000000, -0.0000523100000000 ] - [ 0.0005060700000000, -0.0012787000000000, 0.0002379000000000 ] - [ 0.0007536300000000, 0.0004680700000000, -0.0001172200000000 ] - [ 0.0008362700000000, 0.0002590100000000, -0.0001480400000000 ] - [ 0.0010749000000000, 0.0008198500000000, 0.0004788700000000 ] - [ -0.0012423100000000, 0.0004261800000000, -0.0000099800000000 ] - [ -0.0006379500000000, 0.0003945000000000, 0.0000571600000000 ] - [ -0.0008643400000000, 0.0004158700000000, 0.0000929700000000 ] - [ 0.0474299900000000, 0.0059346600000000, 0.0572026100000000 ] - [ -0.0027058100000000, 0.0000788200000000, 0.0022180000000000 ] - [ 0.0005156100000000, 0.0002254600000000, -0.0004045500000000 ] - [ -0.0019871600000000, -0.0001780000000000, -0.0002114500000000 ] - [ 0.0020542900000000, -0.0008653400000000, 0.0043492900000000 ] - [ -0.0005101500000000, 0.0003689000000000, -0.0000343400000000 ] - [ -0.0002992200000000, 0.0001392600000000, 0.0000445300000000 ] - [ -0.0009914000000000, -0.0048984300000000, 0.0158570100000000 ] - [ 0.0379010000000000, 0.0433420700000000, 0.0097720000000000 ] - [ -0.0026963300000000, -0.0009245800000000, 0.0013058500000000 ] - [ 0.0000588400000000, 0.0002640000000000, -0.0001530900000000 ] - [ -0.0010256900000000, 0.0003348200000000, 0.0000693100000000 ] - [ 0.0029771200000000, 0.0052885900000000, -0.0024533900000000 ] - [ -0.0017151600000000, 0.0004278200000000, -0.0001897100000000 ] - [ 0.0006706500000000, 0.0002223700000000, -0.0000034900000000 ] - [ -0.0121998000000000, -0.0047862500000000, 0.0037782700000000 ] - [ 0.1649235400000000, 0.0549511000000000, -0.1038957600000000 ] - [ -0.0023272800000000, 0.0007285000000000, 0.0011324100000000 ] - [ 0.0004732100000000, 0.0008293300000000, 0.0002735800000000 ] - [ -0.0008007200000000, 0.0004719100000000, -0.0000966400000000 ] - [ -0.0005266400000000, 0.0002197700000000, 0.0000924700000000 ] - [ 0.0044939900000000, -0.0032467800000000, -0.0018872800000000 ] - [ -0.0051629100000000, 0.0012290100000000, -0.0016422000000000 ] - [ 0.0018205800000000, 0.0002462600000000, 0.0000902800000000 ] - [ 0.1813590300000000, -0.0912275900000000, 0.0345617900000000 ] - [ -0.0025853100000000, -0.0016769600000000, 0.0003195400000000 ] - [ -0.0056604000000000, -0.0023589100000000, -0.0001803900000000 ] - [ -0.0027561300000000, -0.0014569500000000, 0.0004739900000000 ] - [ -0.0050286700000000, -0.0028137900000000, -0.0001074800000000 ] - [ 0.0042357500000000, -0.0039246200000000, 0.0011727000000000 ] - [ 0.0097810500000000, -0.0053901600000000, -0.0009729800000000 ] - [ 0.0131355000000000, -0.0184992300000000, 0.0029816700000000 ] - [ -0.0005928800000000, -0.0001380900000000, -0.0000841600000000 ] - [ -0.0000578600000000, 0.0001158600000000, 0.0007569200000000 ] - [ -0.0025854300000000, 0.0000160200000000, 0.0024731800000000 ] - [ 0.0006122500000000, -0.0001335100000000, -0.0003920000000000 ] - [ -0.0016523600000000, -0.0000493000000000, -0.0001526100000000 ] - [ 0.0040411600000000, -0.0001371300000000, -0.0011610500000000 ] - [ -0.0034206100000000, 0.0079084000000000, 0.0169708800000000 ] - [ -0.0002845000000000, 0.0002758600000000, 0.0002571500000000 ] - [ -0.0005393700000000, -0.0001629400000000, -0.0000340900000000 ] - [ -0.0008127300000000, -0.0005733500000000, 0.0000426500000000 ] - [ -0.0148043100000000, 0.0049970900000000, 0.0004325400000000 ] - [ 0.0030074000000000, -0.0002050200000000, -0.0008300800000000 ] - [ -0.0008907900000000, -0.0001047800000000, -0.0001182700000000 ] - [ 0.0008986100000000, -0.0003355200000000, -0.0001051300000000 ] - [ -0.0019350400000000, -0.0003268400000000, 0.0023292700000000 ] - [ -0.0002647200000000, -0.0001859000000000, 0.0002223500000000 ] - [ -0.0005281900000000, -0.0001338700000000, 0.0002764300000000 ] - [ 0.0006154900000000, -0.0004542700000000, -0.0004655900000000 ] - [ -0.0045965700000000, 0.0021048000000000, -0.0021204700000000 ] - [ 0.0030225100000000, 0.0010146600000000, 0.0034560500000000 ] - [ 0.0058842500000000, 0.0177126800000000, -0.0089578800000000 ] - [ -0.0019560100000000, 0.0008275600000000, 0.0013273300000000 ] - [ 0.0004904100000000, -0.0000815200000000, 0.0003120800000000 ] - [ -0.0007492600000000, -0.0001980900000000, -0.0003366200000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.4666380300000000, -0.0033182200000000, -0.0072278100000000 ] - [ -0.0045315300000000, -0.0008752000000000, 0.0024454700000000 ] - [ 0.0006493100000000, 0.0008836300000000, 0.0000311600000000 ] - [ -0.0045119700000000, -0.0001395500000000, -0.0000614400000000 ] - [ 0.0019620100000000, 0.0038328600000000, 0.0020480100000000 ] - [ -0.0023532000000000, 0.0006971800000000, 0.0001932500000000 ] - [ -0.0003615200000000, 0.0009929100000000, -0.0001545400000000 ] - [ -0.0161734700000000, -0.0387679700000000, 0.0304563100000000 ] - [ -0.0015821000000000, 0.0005390200000000, -0.0002982500000000 ] - [ 0.0014871200000000, 0.0004981300000000, -0.0012586600000000 ] - [ -0.0125784000000000, -0.0004853600000000, 0.0011994200000000 ] - [ 0.0061143600000000, -0.0061453200000000, 0.0028089600000000 ] - [ -0.0080051800000000, -0.0002927700000000, -0.0009175200000000 ] - [ 0.0114744000000000, 0.0010615600000000, -0.0086330300000000 ] - [ 0.0013711400000000, -0.0045834700000000, 0.0076450700000000 ] - [ -0.0005100000000000, 0.0005483800000000, 0.0003322700000000 ] - [ -0.0011286700000000, -0.0000575900000000, 0.0002430300000000 ] - [ -0.0003642600000000, -0.0016766200000000, 0.0006126700000000 ] - [ -0.0134268800000000, 0.0016911800000000, 0.0011678100000000 ] - [ 0.0014569800000000, 0.0001804500000000, -0.0008310300000000 ] - [ -0.0058764600000000, -0.0007640400000000, -0.0015271600000000 ] - [ 0.0064827700000000, -0.0014457500000000, 0.0006544900000000 ] - [ 0.0032506500000000, -0.0041735500000000, 0.0147438800000000 ] - [ -0.0009563500000000, 0.0001313000000000, 0.0002228900000000 ] - [ 0.0225000300000000, -0.0000632400000000, -0.0073153700000000 ] - [ -0.0043918500000000, -0.0002300500000000, 0.0026336600000000 ] - [ 0.0004951200000000, 0.0002343300000000, 0.0007131700000000 ] - [ -0.0035806500000000, -0.0005927900000000, 0.0007021900000000 ] - [ 0.0013474400000000, -0.0000580500000000, 0.0000231700000000 ] - [ -0.0013551800000000, -0.0000222600000000, -0.0004502900000000 ] - [ -0.0015996200000000, -0.0001259800000000, 0.0002465400000000 ] - [ -0.0333900100000000, 0.0475790500000000, 0.0062932200000000 ] - [ 0.0005418600000000, -0.0003558200000000, -0.0000937200000000 ] - [ -0.0005814400000000, 0.0012842600000000, -0.0003832400000000 ] - [ -0.0007117600000000, -0.0005123800000000, -0.0000274400000000 ] - [ -0.0007948100000000, -0.0003063700000000, 0.0002917800000000 ] - [ -0.0011282700000000, -0.0007891000000000, -0.0003306100000000 ] - [ 0.0012808800000000, -0.0003788800000000, -0.0001340100000000 ] - [ 0.0005994800000000, -0.0004371800000000, 0.0000874800000000 ] - [ 0.0009027900000000, -0.0003701500000000, 0.0000522500000000 ] - [ -0.0484949000000000, -0.0061147800000000, -0.0573898000000000 ] - [ 0.0024585300000000, 0.0003354300000000, -0.0022117700000000 ] - [ -0.0002615600000000, -0.0006462300000000, 0.0004013000000000 ] - [ 0.0024000500000000, -0.0000703200000000, 0.0002064200000000 ] - [ -0.0024564200000000, 0.0010767800000000, -0.0043052800000000 ] - [ 0.0009273300000000, -0.0001162100000000, 0.0000288700000000 ] - [ 0.0000530100000000, -0.0005554500000000, -0.0000412600000000 ] - [ 0.0012500800000000, 0.0053240000000000, -0.0158838400000000 ] - [ -0.0371197100000000, -0.0423904800000000, -0.0098455400000000 ] - [ 0.0027162800000000, 0.0007451500000000, -0.0014787800000000 ] - [ -0.0000485100000000, -0.0000822400000000, -0.0000219300000000 ] - [ 0.0008439600000000, -0.0003291600000000, 0.0001039000000000 ] - [ -0.0028113700000000, -0.0053228100000000, 0.0026578200000000 ] - [ 0.0015343600000000, -0.0004198500000000, 0.0000194800000000 ] - [ -0.0006559900000000, -0.0000427400000000, 0.0001728700000000 ] - [ 0.0122250200000000, 0.0046061200000000, -0.0035775400000000 ] - [ -0.1587590800000000, -0.0513609900000000, 0.0976668900000000 ] - [ 0.0023177500000000, -0.0007428500000000, -0.0011378900000000 ] - [ -0.0004514800000000, -0.0008250800000000, -0.0002626600000000 ] - [ 0.0007900200000000, -0.0004508500000000, 0.0001004500000000 ] - [ 0.0005170000000000, -0.0002032600000000, -0.0000951800000000 ] - [ -0.0044384000000000, 0.0032211900000000, 0.0018718600000000 ] - [ 0.0051409500000000, -0.0012488500000000, 0.0016461900000000 ] - [ -0.0017777300000000, -0.0002477000000000, -0.0000538000000000 ] - [ -0.1904569600000000, 0.0982950500000000, -0.0371404400000000 ] - [ 0.0025445500000000, 0.0017161400000000, -0.0004637300000000 ] - [ 0.0057027700000000, 0.0023127600000000, 0.0000343600000000 ] - [ 0.0027957500000000, 0.0014122500000000, -0.0003322500000000 ] - [ 0.0049861000000000, 0.0028513500000000, 0.0002557000000000 ] - [ -0.0041962500000000, 0.0039741000000000, -0.0013175300000000 ] - [ -0.0098777000000000, 0.0053701700000000, 0.0011325800000000 ] - [ -0.0130772400000000, 0.0185369000000000, -0.0028224400000000 ] - [ 0.0001752100000000, -0.0001130000000000, 0.0000887000000000 ] - [ -0.0001969300000000, 0.0002977100000000, -0.0007537800000000 ] - [ 0.0028342400000000, -0.0004359700000000, -0.0024769500000000 ] - [ -0.0001956900000000, -0.0001168300000000, 0.0003912500000000 ] - [ 0.0012346700000000, 0.0002972700000000, 0.0001550600000000 ] - [ -0.0036261600000000, 0.0003863000000000, 0.0011582300000000 ] - [ 0.0031727900000000, -0.0083425100000000, -0.0169913000000000 ] - [ 0.0005312100000000, 0.0001430000000000, -0.0002613100000000 ] - [ 0.0007215000000000, 0.0001597100000000, -0.0001403000000000 ] - [ 0.0007995700000000, 0.0003934200000000, -0.0002136700000000 ] - [ 0.0147756600000000, -0.0048298400000000, -0.0006012300000000 ] - [ -0.0031882900000000, 0.0002050500000000, 0.0010055600000000 ] - [ 0.0010726500000000, 0.0001001800000000, 0.0002886100000000 ] - [ -0.0010800100000000, 0.0003350500000000, -0.0000657500000000 ] - [ 0.0019255800000000, 0.0005070000000000, -0.0021647500000000 ] - [ 0.0002553000000000, 0.0000036200000000, -0.0000468300000000 ] - [ 0.0005398300000000, 0.0001195800000000, -0.0002756800000000 ] - [ -0.0006312300000000, 0.0004366000000000, 0.0004630000000000 ] - [ 0.0046126700000000, -0.0020949000000000, 0.0021244200000000 ] - [ -0.0030430600000000, -0.0010014900000000, -0.0034613900000000 ] - [ -0.0058960500000000, -0.0176781600000000, 0.0089610700000000 ] - [ 0.0019703200000000, -0.0008166600000000, -0.0013275900000000 ] - [ -0.0005049500000000, 0.0000663100000000, -0.0003125500000000 ] - [ 0.0007601800000000, 0.0001844600000000, 0.0003361200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007820800000000, -0.4869333400000000, 0.0120929700000000 ] - [ 0.0019569300000000, -0.0005924800000000, -0.0011142600000000 ] - [ -0.0019559300000000, 0.0044582500000000, 0.0016300900000000 ] - [ -0.0000761800000000, -0.0035076000000000, -0.0001413800000000 ] - [ 0.0037451000000000, -0.0051828900000000, -0.0187782900000000 ] - [ -0.0006373500000000, -0.0033230900000000, -0.0002613000000000 ] - [ -0.0049731700000000, 0.0002925300000000, 0.0002624500000000 ] - [ 0.0194379600000000, 0.0161943700000000, -0.0220114400000000 ] - [ -0.0004791200000000, -0.0026850600000000, -0.0003397100000000 ] - [ -0.0061521300000000, 0.0125036800000000, 0.0082215400000000 ] - [ 0.0061578500000000, -0.0014341400000000, -0.0010103500000000 ] - [ -0.0063061300000000, 0.0744871500000000, -0.0071574000000000 ] - [ -0.0002260900000000, -0.0046526600000000, 0.0011302100000000 ] - [ -0.0011523900000000, -0.0114309500000000, 0.0023936400000000 ] - [ 0.0009044800000000, -0.0013290000000000, -0.0050509100000000 ] - [ -0.0027744600000000, 0.0004419500000000, 0.0008957600000000 ] - [ -0.0000058400000000, 0.0031897900000000, -0.0000489600000000 ] - [ 0.0086728300000000, 0.0134794400000000, -0.0009706900000000 ] - [ -0.0086722400000000, 0.0003080100000000, 0.0010646100000000 ] - [ 0.0002362000000000, 0.0118091300000000, 0.0016409600000000 ] - [ -0.0008315600000000, 0.0036823100000000, -0.0013595500000000 ] - [ 0.0015110300000000, 0.0054613800000000, -0.0020034500000000 ] - [ -0.0014327600000000, -0.0033201800000000, 0.0108287900000000 ] - [ 0.0025821800000000, 0.0010274400000000, -0.0010052500000000 ] - [ 0.0001091500000000, 0.0147818900000000, -0.0072483000000000 ] - [ -0.0031520400000000, -0.0005561500000000, 0.0016939500000000 ] - [ 0.0031446700000000, 0.0044550000000000, -0.0035766900000000 ] - [ -0.0006613000000000, 0.0027856100000000, 0.0001133700000000 ] - [ 0.0000028400000000, 0.0070437400000000, -0.0000545100000000 ] - [ -0.0000395800000000, 0.0039283600000000, 0.0003318900000000 ] - [ 0.0043691500000000, 0.0016694100000000, 0.0000912100000000 ] - [ -0.0316192000000000, 0.0332120900000000, 0.0033907000000000 ] - [ 0.0010242000000000, -0.0013378900000000, -0.0001474100000000 ] - [ -0.0101258500000000, -0.0183419800000000, 0.0002891400000000 ] - [ -0.0012164700000000, -0.0031956900000000, -0.0001799500000000 ] - [ -0.0022454500000000, -0.0069522700000000, -0.0014395200000000 ] - [ -0.0030222800000000, -0.0020080700000000, 0.0029990300000000 ] - [ -0.0010548100000000, 0.0007316300000000, 0.0000121500000000 ] - [ 0.0015584100000000, -0.0017261700000000, -0.0000042300000000 ] - [ -0.0006666800000000, 0.0006112700000000, 0.0001967900000000 ] - [ 0.0054352800000000, 0.0357921200000000, 0.0219648400000000 ] - [ -0.0013179900000000, 0.0006910000000000, 0.0012975800000000 ] - [ 0.0013072300000000, -0.0022877300000000, -0.0036266900000000 ] - [ 0.0003403600000000, 0.0011488500000000, -0.0004492700000000 ] - [ 0.0019183200000000, -0.0100668800000000, 0.0204868600000000 ] - [ 0.0005373200000000, 0.0010237000000000, 0.0002521800000000 ] - [ 0.0010251700000000, -0.0002219300000000, -0.0006922500000000 ] - [ -0.0012005000000000, -0.0001821200000000, 0.0084274700000000 ] - [ 0.0407841000000000, 0.2366449800000000, 0.0476927500000000 ] - [ -0.0017127700000000, 0.0000477600000000, 0.0008565000000000 ] - [ 0.0023937900000000, -0.0006445200000000, -0.0004461000000000 ] - [ -0.0000701000000000, 0.0027471100000000, 0.0000706200000000 ] - [ 0.0012661900000000, 0.0116192800000000, 0.0008099200000000 ] - [ -0.0000622300000000, 0.0034359000000000, -0.0000973400000000 ] - [ 0.0053551700000000, -0.0018014500000000, -0.0010148300000000 ] - [ -0.0068136700000000, -0.0013883700000000, 0.0014464100000000 ] - [ 0.0564139600000000, 0.0549413900000000, -0.0437138900000000 ] - [ -0.0006293200000000, 0.0012290500000000, 0.0006538200000000 ] - [ 0.0014836900000000, -0.0009902700000000, 0.0034462400000000 ] - [ 0.0014839600000000, 0.0009347100000000, 0.0005214900000000 ] - [ 0.0008972400000000, 0.0007338200000000, -0.0004210500000000 ] - [ 0.0112447300000000, -0.0176979000000000, -0.0087372300000000 ] - [ -0.0014533800000000, 0.0018776300000000, -0.0008900200000000 ] - [ 0.0010931300000000, 0.0024261200000000, 0.0014790400000000 ] - [ -0.0982351300000000, 0.0899642100000000, -0.0239842400000000 ] - [ -0.0005370000000000, -0.0006529600000000, 0.0000981300000000 ] - [ 0.0023745400000000, 0.0021828200000000, -0.0002035500000000 ] - [ 0.0012213700000000, 0.0015171800000000, -0.0002088200000000 ] - [ -0.0013184600000000, -0.0010299800000000, 0.0002934900000000 ] - [ -0.0000605000000000, -0.0007987100000000, 0.0008613300000000 ] - [ -0.0022604000000000, 0.0040665700000000, -0.0019914300000000 ] - [ -0.0005543100000000, -0.0062698700000000, 0.0045093100000000 ] - [ -0.0001837100000000, -0.0012253600000000, -0.0001043200000000 ] - [ -0.0018525300000000, -0.0027487800000000, 0.0029951000000000 ] - [ 0.0019576700000000, -0.0003202600000000, -0.0017657400000000 ] - [ 0.0000322700000000, -0.0029404300000000, -0.0005508200000000 ] - [ -0.0000110300000000, -0.0008368200000000, 0.0005397400000000 ] - [ 0.0003075000000000, -0.0025093200000000, 0.0037357800000000 ] - [ 0.0039536200000000, -0.0046801300000000, -0.0107670200000000 ] - [ -0.0009074100000000, -0.0002997300000000, 0.0005739600000000 ] - [ 0.0001518600000000, -0.0026537700000000, -0.0000563000000000 ] - [ -0.0049073200000000, -0.0019174000000000, -0.0000403500000000 ] - [ 0.0122803100000000, -0.0028115800000000, -0.0001538900000000 ] - [ -0.0001988900000000, -0.0100228900000000, 0.0005987600000000 ] - [ 0.0001822400000000, -0.0033121300000000, 0.0001843600000000 ] - [ -0.0002558800000000, -0.0056581700000000, 0.0001918700000000 ] - [ 0.0026394200000000, 0.0008757100000000, -0.0016461200000000 ] - [ -0.0024275800000000, -0.0007143700000000, 0.0006549000000000 ] - [ -0.0008074900000000, -0.0012663100000000, 0.0006959700000000 ] - [ 0.0006744800000000, -0.0062829500000000, -0.0024474700000000 ] - [ 0.0023835800000000, -0.0018386200000000, 0.0012104700000000 ] - [ -0.0008165100000000, -0.0012890400000000, -0.0018680600000000 ] - [ 0.0003296600000000, -0.0090904700000000, 0.0040362000000000 ] - [ 0.0009973700000000, -0.0009527800000000, -0.0007736800000000 ] - [ 0.0006193300000000, -0.0028434400000000, 0.0015376700000000 ] - [ -0.0012068200000000, -0.0016973300000000, -0.0008480000000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0064394100000000, 0.5035958100000000, -0.0049228400000000 ] - [ -0.0020036600000000, 0.0006776100000000, 0.0015034500000000 ] - [ 0.0020041300000000, -0.0045510800000000, -0.0012444600000000 ] - [ 0.0001625900000000, 0.0034757000000000, -0.0002481500000000 ] - [ -0.0038566500000000, 0.0052558900000000, 0.0184842500000000 ] - [ 0.0007302500000000, 0.0033753000000000, 0.0006505600000000 ] - [ 0.0049464300000000, -0.0003771600000000, -0.0006524100000000 ] - [ -0.0192713400000000, -0.0162513000000000, 0.0214937300000000 ] - [ 0.0005701400000000, 0.0027319200000000, -0.0000488100000000 ] - [ 0.0062169100000000, -0.0126211000000000, -0.0086371600000000 ] - [ -0.0062116800000000, 0.0015169100000000, 0.0006251800000000 ] - [ 0.0060778200000000, -0.0750084900000000, 0.0073996800000000 ] - [ 0.0003133100000000, 0.0046199500000000, -0.0007440900000000 ] - [ 0.0010270100000000, 0.0113926300000000, -0.0027789700000000 ] - [ -0.0008647200000000, 0.0013932500000000, 0.0054503300000000 ] - [ 0.0027438600000000, -0.0005289700000000, -0.0005095700000000 ] - [ -0.0000842900000000, -0.0032363600000000, 0.0004369600000000 ] - [ -0.0087329000000000, -0.0134020300000000, 0.0013594600000000 ] - [ 0.0087338400000000, -0.0004009200000000, -0.0006801500000000 ] - [ -0.0001575500000000, -0.0118442200000000, -0.0020339000000000 ] - [ 0.0007473300000000, -0.0036500000000000, 0.0009746400000000 ] - [ -0.0014183600000000, -0.0054383300000000, 0.0023777700000000 ] - [ 0.0013912900000000, 0.0031951100000000, -0.0111908900000000 ] - [ -0.0025471500000000, -0.0009355700000000, 0.0006192500000000 ] - [ -0.0000557500000000, -0.0147087300000000, 0.0068217200000000 ] - [ 0.0031928900000000, 0.0004615100000000, -0.0020914200000000 ] - [ -0.0031996000000000, -0.0043730400000000, 0.0031931300000000 ] - [ 0.0005701300000000, -0.0027525000000000, 0.0002782500000000 ] - [ 0.0000830600000000, -0.0070893400000000, 0.0004398100000000 ] - [ -0.0000459700000000, -0.0039789200000000, -0.0007187900000000 ] - [ -0.0043353800000000, -0.0015805100000000, 0.0002942900000000 ] - [ 0.0312997200000000, -0.0333507500000000, -0.0030324300000000 ] - [ -0.0010674300000000, 0.0013012500000000, 0.0000043300000000 ] - [ 0.0100745100000000, 0.0183510200000000, -0.0004184600000000 ] - [ 0.0012563400000000, 0.0031596500000000, 0.0000378500000000 ] - [ 0.0022871000000000, 0.0069188400000000, 0.0015861100000000 ] - [ 0.0029945700000000, 0.0020495600000000, -0.0028678800000000 ] - [ 0.0010961300000000, -0.0006964100000000, -0.0001534500000000 ] - [ -0.0016012400000000, 0.0016878700000000, 0.0001456100000000 ] - [ 0.0007076800000000, -0.0005747600000000, -0.0000533500000000 ] - [ -0.0061598400000000, -0.0364868200000000, -0.0234420200000000 ] - [ 0.0010714600000000, -0.0002719900000000, -0.0013034800000000 ] - [ -0.0010616600000000, 0.0018706400000000, 0.0036350800000000 ] - [ 0.0000792300000000, -0.0014002400000000, 0.0004538900000000 ] - [ -0.0023219700000000, 0.0103698800000000, -0.0205576500000000 ] - [ -0.0001189000000000, -0.0007779200000000, -0.0002545300000000 ] - [ -0.0012781400000000, -0.0001991100000000, 0.0006952100000000 ] - [ 0.0014496500000000, 0.0006348200000000, -0.0084712400000000 ] - [ -0.0440624500000000, -0.2527235700000000, -0.0517018900000000 ] - [ 0.0017208300000000, -0.0002266500000000, -0.0010274300000000 ] - [ -0.0024016800000000, 0.0008291800000000, 0.0002744500000000 ] - [ -0.0001140700000000, -0.0027524700000000, 0.0001022700000000 ] - [ -0.0010881000000000, -0.0116853400000000, -0.0006366200000000 ] - [ -0.0001218000000000, -0.0034449600000000, -0.0000685800000000 ] - [ -0.0053685500000000, 0.0019850400000000, 0.0011838300000000 ] - [ 0.0068361600000000, 0.0012443300000000, -0.0012746300000000 ] - [ -0.0558540400000000, -0.0556535400000000, 0.0433113500000000 ] - [ 0.0006196300000000, -0.0012407400000000, -0.0006561400000000 ] - [ -0.0014734800000000, 0.0010015700000000, -0.0034571200000000 ] - [ -0.0015040700000000, -0.0009240000000000, -0.0005239200000000 ] - [ -0.0009145400000000, -0.0007244900000000, 0.0004235200000000 ] - [ -0.0112271500000000, 0.0177596300000000, 0.0087694000000000 ] - [ 0.0014418500000000, -0.0018951400000000, 0.0008901900000000 ] - [ -0.0010646400000000, -0.0024261400000000, -0.0014462700000000 ] - [ 0.0944950300000000, -0.0889356000000000, 0.0229674700000000 ] - [ 0.0004977900000000, 0.0006937700000000, -0.0002400000000000 ] - [ -0.0023404700000000, -0.0022252800000000, 0.0000624100000000 ] - [ -0.0011845700000000, -0.0015588400000000, 0.0003508700000000 ] - [ 0.0012839500000000, 0.0010761400000000, -0.0001513500000000 ] - [ 0.0000909800000000, 0.0008556800000000, -0.0010052300000000 ] - [ 0.0021928000000000, -0.0040754200000000, 0.0021564500000000 ] - [ 0.0005678700000000, 0.0063279800000000, -0.0043154900000000 ] - [ -0.0002355600000000, 0.0009776100000000, 0.0001087500000000 ] - [ 0.0016068600000000, 0.0031671400000000, -0.0029904700000000 ] - [ -0.0017116600000000, -0.0000972700000000, 0.0017735600000000 ] - [ 0.0003884000000000, 0.0026924700000000, 0.0005556300000000 ] - [ -0.0004088200000000, 0.0010895800000000, -0.0005402600000000 ] - [ 0.0001164900000000, 0.0027599300000000, -0.0037185400000000 ] - [ -0.0041744800000000, 0.0042897500000000, 0.0107683000000000 ] - [ 0.0011590300000000, 0.0007192100000000, -0.0005772800000000 ] - [ 0.0000308400000000, 0.0026601000000000, -0.0001156400000000 ] - [ 0.0049131900000000, 0.0017343300000000, -0.0001276800000000 ] - [ -0.0123424000000000, 0.0030364800000000, -0.0000107100000000 ] - [ 0.0000197400000000, 0.0100147600000000, -0.0004220800000000 ] - [ 0.0000016600000000, 0.0033200700000000, -0.0000180100000000 ] - [ 0.0000741100000000, 0.0056659500000000, -0.0003584500000000 ] - [ -0.0026384300000000, -0.0006871100000000, 0.0018095300000000 ] - [ 0.0024354300000000, 0.0005296300000000, -0.0004830400000000 ] - [ 0.0008236500000000, 0.0012538000000000, -0.0006967700000000 ] - [ -0.0006842600000000, 0.0062618700000000, 0.0024420000000000 ] - [ -0.0023778300000000, 0.0018622200000000, -0.0012139200000000 ] - [ 0.0008057200000000, 0.0013137100000000, 0.0018701900000000 ] - [ -0.0003090800000000, 0.0091185700000000, -0.0040340300000000 ] - [ -0.0009831100000000, 0.0009697900000000, 0.0007769100000000 ] - [ -0.0006307500000000, 0.0028322100000000, -0.0015387500000000 ] - [ 0.0012213700000000, 0.0016854500000000, 0.0008487900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0066043400000000, 0.0063882700000000, -0.4766521400000000 ] - [ 0.0014216100000000, -0.0001190300000000, 0.0038897100000000 ] - [ 0.0013332400000000, -0.0023031900000000, 0.0038899500000000 ] - [ -0.0000856800000000, -0.0000727300000000, -0.0007657300000000 ] - [ 0.0022194400000000, -0.0186514300000000, -0.0027878000000000 ] - [ 0.0000429500000000, 0.0004786700000000, -0.0007150000000000 ] - [ -0.0004787000000000, -0.0000011200000000, 0.0002163200000000 ] - [ -0.0216225100000000, -0.0306565000000000, 0.0294668900000000 ] - [ 0.0001507100000000, -0.0001257700000000, -0.0005260700000000 ] - [ -0.0007979800000000, 0.0013580500000000, 0.0014870300000000 ] - [ -0.0084627800000000, 0.0011160700000000, 0.0014841600000000 ] - [ -0.0026406700000000, 0.0073020800000000, -0.0086411700000000 ] - [ -0.0010734000000000, 0.0009176300000000, -0.0021860100000000 ] - [ -0.0083707600000000, -0.0025657600000000, 0.0762242100000000 ] - [ 0.0052795900000000, 0.0075034200000000, 0.0202530000000000 ] - [ 0.0006852800000000, -0.0001820600000000, 0.0010893700000000 ] - [ -0.0000943300000000, -0.0002641400000000, 0.0007042700000000 ] - [ 0.0008544300000000, 0.0010204200000000, -0.0019103700000000 ] - [ 0.0011923300000000, -0.0004643700000000, -0.0019090200000000 ] - [ 0.0006818000000000, -0.0018583800000000, 0.0008828500000000 ] - [ -0.0013754300000000, -0.0011476800000000, 0.0005280400000000 ] - [ 0.0005050700000000, 0.0022173700000000, 0.0066960100000000 ] - [ -0.0110549400000000, 0.0149113500000000, -0.0029082600000000 ] - [ -0.0007931500000000, -0.0003715100000000, -0.0005463800000000 ] - [ 0.0071598800000000, -0.0070133900000000, 0.0026359700000000 ] - [ -0.0033712100000000, 0.0008623000000000, -0.0012926800000000 ] - [ -0.0019182700000000, -0.0027883200000000, -0.0012898100000000 ] - [ -0.0005531800000000, 0.0001036500000000, 0.0014370100000000 ] - [ -0.0001294700000000, -0.0002672600000000, 0.0019361000000000 ] - [ -0.0002999100000000, -0.0005488000000000, 0.0000906100000000 ] - [ 0.0001231200000000, 0.0000969400000000, -0.0004443100000000 ] - [ 0.0031994500000000, -0.0061786500000000, -0.0085810900000000 ] - [ -0.0002001500000000, 0.0001631500000000, -0.0002516600000000 ] - [ -0.0010643200000000, -0.0031304800000000, 0.0009544100000000 ] - [ 0.0001626700000000, 0.0007801200000000, -0.0008211400000000 ] - [ 0.0000343500000000, -0.0000358600000000, -0.0002780300000000 ] - [ 0.0021527200000000, 0.0043732400000000, 0.0004512200000000 ] - [ 0.0000572900000000, -0.0000927500000000, 0.0001512000000000 ] - [ 0.0000843500000000, 0.0000629300000000, -0.0000093300000000 ] - [ 0.0001821600000000, 0.0001019500000000, 0.0001494500000000 ] - [ 0.0610548900000000, 0.0225703700000000, 0.2368019900000000 ] - [ 0.0009661000000000, 0.0001139800000000, -0.0032765600000000 ] - [ 0.0001199500000000, -0.0004188500000000, -0.0021900900000000 ] - [ 0.0000883400000000, -0.0002410000000000, 0.0013068900000000 ] - [ 0.0015625800000000, 0.0012699900000000, 0.0100590100000000 ] - [ 0.0000688900000000, 0.0001077100000000, 0.0006222100000000 ] - [ -0.0001410700000000, -0.0002814900000000, -0.0006872300000000 ] - [ 0.0018203000000000, 0.0024438800000000, -0.0169327500000000 ] - [ 0.0096800000000000, 0.0476366000000000, 0.0416124800000000 ] - [ -0.0019815300000000, -0.0009142300000000, -0.0034918800000000 ] - [ -0.0009041100000000, 0.0004596100000000, -0.0007148100000000 ] - [ -0.0000514700000000, 0.0000343400000000, 0.0001961900000000 ] - [ 0.0026696500000000, 0.0180985400000000, -0.0111518800000000 ] - [ 0.0000649700000000, -0.0006153400000000, 0.0003744300000000 ] - [ 0.0005077200000000, -0.0000747300000000, -0.0001621100000000 ] - [ 0.0117668300000000, 0.0041867100000000, -0.0034040400000000 ] - [ -0.0980511700000000, -0.0396148900000000, 0.1029654900000000 ] - [ -0.0002990200000000, -0.0003472100000000, -0.0007335500000000 ] - [ -0.0024298600000000, 0.0041906500000000, -0.0021205600000000 ] - [ 0.0001821600000000, -0.0001091600000000, 0.0001791200000000 ] - [ -0.0002091100000000, 0.0001606400000000, -0.0001636600000000 ] - [ 0.0006861200000000, -0.0026924100000000, 0.0002002500000000 ] - [ 0.0022060900000000, -0.0011271400000000, 0.0012467500000000 ] - [ -0.0082430700000000, -0.0078540800000000, -0.0189369100000000 ] - [ 0.0343222700000000, -0.0222797600000000, 0.0403387000000000 ] - [ -0.0000678900000000, 0.0000586700000000, -0.0007075500000000 ] - [ 0.0001592300000000, -0.0000402200000000, 0.0005469400000000 ] - [ 0.0008125100000000, 0.0001520700000000, 0.0002423400000000 ] - [ 0.0023405800000000, 0.0012537100000000, -0.0000841700000000 ] - [ -0.0003202100000000, -0.0020113000000000, -0.0041585800000000 ] - [ 0.0145693200000000, -0.0115504400000000, -0.0112563000000000 ] - [ -0.0044346200000000, 0.0127035000000000, -0.0034460400000000 ] - [ -0.0001726900000000, -0.0000123500000000, -0.0004149500000000 ] - [ 0.0000805700000000, 0.0004965900000000, 0.0017859600000000 ] - [ 0.0005151800000000, -0.0002472400000000, 0.0018372700000000 ] - [ 0.0001691700000000, 0.0001693200000000, -0.0015174400000000 ] - [ 0.0000533700000000, 0.0002962400000000, -0.0009774800000000 ] - [ -0.0007597000000000, 0.0009854700000000, -0.0048219200000000 ] - [ 0.0018418100000000, 0.0001555100000000, 0.0098326000000000 ] - [ 0.0002322700000000, 0.0002530600000000, 0.0005548300000000 ] - [ 0.0001707500000000, 0.0000712800000000, -0.0003190400000000 ] - [ -0.0003209400000000, -0.0002375900000000, 0.0002872700000000 ] - [ -0.0028720100000000, 0.0015042500000000, 0.0008684500000000 ] - [ -0.0009945800000000, 0.0029985400000000, -0.0001969900000000 ] - [ 0.0002976800000000, 0.0006464200000000, -0.0000302900000000 ] - [ -0.0001466200000000, -0.0005359500000000, -0.0010900100000000 ] - [ 0.0045730800000000, -0.0015047700000000, 0.0005095100000000 ] - [ 0.0009706300000000, 0.0003362600000000, 0.0002339100000000 ] - [ 0.0002651700000000, 0.0002055800000000, -0.0001727700000000 ] - [ -0.0004559500000000, 0.0001726900000000, 0.0003064900000000 ] - [ 0.0000668800000000, 0.0002333600000000, 0.0002152800000000 ] - [ -0.0004264400000000, -0.0041262800000000, -0.0022550800000000 ] - [ -0.0023824500000000, 0.0016167100000000, 0.0010345900000000 ] - [ 0.0009667600000000, -0.0005979100000000, -0.0005140300000000 ] - [ -0.0000200500000000, 0.0007946900000000, -0.0004583900000000 ] - [ 0.0000927700000000, 0.0001389800000000, 0.0001262900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0170871800000000, -0.0106923000000000, 0.4615609700000000 ] - [ -0.0014549300000000, 0.0002023800000000, -0.0034967000000000 ] - [ -0.0012827400000000, 0.0022067000000000, -0.0034972300000000 ] - [ 0.0001667900000000, 0.0000315000000000, 0.0003741800000000 ] - [ -0.0022908700000000, 0.0186135700000000, 0.0023739100000000 ] - [ 0.0000423600000000, -0.0004314000000000, 0.0010991800000000 ] - [ 0.0004342100000000, -0.0000839600000000, -0.0005991900000000 ] - [ 0.0218854000000000, 0.0308872700000000, -0.0297902000000000 ] - [ -0.0000658100000000, 0.0001683200000000, 0.0001371900000000 ] - [ 0.0008392400000000, -0.0014420800000000, -0.0018547100000000 ] - [ 0.0083934300000000, -0.0010247400000000, -0.0018576400000000 ] - [ 0.0025731500000000, -0.0072544700000000, 0.0090396200000000 ] - [ 0.0011524500000000, -0.0009575800000000, 0.0025668800000000 ] - [ 0.0084851200000000, 0.0026050100000000, -0.0760998800000000 ] - [ -0.0052199500000000, -0.0074093000000000, -0.0198911000000000 ] - [ -0.0007228800000000, 0.0000958700000000, -0.0007019500000000 ] - [ 0.0000072200000000, 0.0002193200000000, -0.0003171500000000 ] - [ -0.0008910600000000, -0.0009233900000000, 0.0022877200000000 ] - [ -0.0011363200000000, 0.0003777200000000, 0.0022878900000000 ] - [ -0.0005954800000000, 0.0018140800000000, -0.0012611300000000 ] - [ 0.0012871500000000, 0.0011875000000000, -0.0009090300000000 ] - [ -0.0004161700000000, -0.0021611300000000, -0.0063030200000000 ] - [ 0.0109631700000000, -0.0149280500000000, 0.0024939100000000 ] - [ 0.0008332500000000, 0.0004569100000000, 0.0001590600000000 ] - [ -0.0070837200000000, 0.0070585500000000, -0.0029911800000000 ] - [ 0.0034006000000000, -0.0009466300000000, 0.0008958100000000 ] - [ 0.0018666200000000, 0.0028627100000000, 0.0008965900000000 ] - [ 0.0004638100000000, -0.0000598600000000, -0.0010448200000000 ] - [ 0.0002118200000000, 0.0002250700000000, -0.0015457400000000 ] - [ 0.0002148400000000, 0.0005005200000000, -0.0004733200000000 ] - [ -0.0000779900000000, -0.0000113700000000, 0.0008264200000000 ] - [ -0.0032251500000000, 0.0061088200000000, 0.0089715900000000 ] - [ 0.0001560700000000, -0.0002040300000000, 0.0001045300000000 ] - [ 0.0010028600000000, 0.0031291800000000, -0.0011012700000000 ] - [ -0.0001199700000000, -0.0008183800000000, 0.0006741700000000 ] - [ 0.0000074300000000, -0.0000083400000000, 0.0004197000000000 ] - [ -0.0021882400000000, -0.0043161700000000, -0.0003001200000000 ] - [ -0.0000147100000000, 0.0001336900000000, -0.0002953600000000 ] - [ -0.0001260200000000, -0.0001050700000000, 0.0001528300000000 ] - [ -0.0001389100000000, -0.0000598700000000, -0.0000016900000000 ] - [ -0.0567475600000000, -0.0209918700000000, -0.2213797100000000 ] - [ -0.0012132200000000, 0.0002998500000000, 0.0032618300000000 ] - [ 0.0001270100000000, 0.0000059600000000, 0.0021803600000000 ] - [ 0.0003302500000000, -0.0000090300000000, -0.0012999500000000 ] - [ -0.0019716200000000, -0.0010247000000000, -0.0099978600000000 ] - [ 0.0003489200000000, 0.0001407400000000, -0.0006222700000000 ] - [ -0.0001092300000000, -0.0001358000000000, 0.0006867000000000 ] - [ -0.0016025600000000, -0.0020561600000000, 0.0169409600000000 ] - [ -0.0093660400000000, -0.0467564100000000, -0.0410806500000000 ] - [ 0.0019700900000000, 0.0007322100000000, 0.0033231300000000 ] - [ 0.0008985600000000, -0.0002754800000000, 0.0005388300000000 ] - [ -0.0001299200000000, -0.0000343400000000, -0.0000194300000000 ] - [ -0.0025080800000000, -0.0180581400000000, 0.0112918900000000 ] - [ -0.0002452200000000, 0.0006117000000000, -0.0005431100000000 ] - [ -0.0005066300000000, 0.0002547400000000, 0.0003288100000000 ] - [ -0.0117079900000000, -0.0043305800000000, 0.0035504600000000 ] - [ 0.1023715300000000, 0.0414764900000000, -0.1048362900000000 ] - [ 0.0002863500000000, 0.0003364800000000, 0.0007317000000000 ] - [ 0.0024337200000000, -0.0041620000000000, 0.0021195600000000 ] - [ -0.0001951600000000, 0.0001211000000000, -0.0001801000000000 ] - [ 0.0001950600000000, -0.0001488500000000, 0.0001646800000000 ] - [ -0.0006535900000000, 0.0026758000000000, -0.0002213600000000 ] - [ -0.0022124300000000, 0.0011094900000000, -0.0012460700000000 ] - [ 0.0082694600000000, 0.0078489600000000, 0.0190144600000000 ] - [ -0.0335403600000000, 0.0216596200000000, -0.0398551400000000 ] - [ 0.0000238400000000, -0.0000177800000000, 0.0005610800000000 ] - [ -0.0001183200000000, -0.0000029500000000, -0.0006905700000000 ] - [ -0.0007679800000000, -0.0001946200000000, -0.0000958000000000 ] - [ -0.0023719800000000, -0.0012057500000000, 0.0002283300000000 ] - [ 0.0003615000000000, 0.0020494700000000, 0.0040135200000000 ] - [ -0.0145954000000000, 0.0114608100000000, 0.0113668500000000 ] - [ 0.0044650000000000, -0.0126531400000000, 0.0035728300000000 ] - [ -0.0002444900000000, -0.0002367800000000, 0.0004168300000000 ] - [ -0.0003303000000000, -0.0000795000000000, -0.0017754700000000 ] - [ -0.0002653400000000, -0.0001708200000000, -0.0018279500000000 ] - [ 0.0002476700000000, -0.0004180100000000, 0.0015116200000000 ] - [ -0.0004696700000000, -0.0000459600000000, 0.0009731600000000 ] - [ 0.0011748200000000, -0.0007428200000000, 0.0048060000000000 ] - [ -0.0020889400000000, -0.0005643600000000, -0.0097708400000000 ] - [ 0.0000178500000000, 0.0001650100000000, -0.0005552500000000 ] - [ 0.0000114300000000, -0.0000704100000000, 0.0001439000000000 ] - [ 0.0003167300000000, 0.0000550200000000, -0.0004570800000000 ] - [ 0.0028281800000000, -0.0013031100000000, -0.0010435500000000 ] - [ 0.0008126800000000, -0.0029947400000000, 0.0003678900000000 ] - [ -0.0001151900000000, -0.0006428500000000, 0.0001986900000000 ] - [ -0.0000346800000000, 0.0005315100000000, 0.0009181900000000 ] - [ -0.0045567700000000, 0.0016791500000000, -0.0003346800000000 ] - [ -0.0009668700000000, -0.0005172500000000, -0.0000569100000000 ] - [ -0.0002513000000000, -0.0002175200000000, 0.0001724700000000 ] - [ 0.0004428000000000, -0.0001901600000000, -0.0003104700000000 ] - [ -0.0000564400000000, -0.0002165700000000, -0.0002151700000000 ] - [ 0.0004142800000000, 0.0041251300000000, 0.0022536500000000 ] - [ 0.0023685500000000, -0.0015695800000000, -0.0010582000000000 ] - [ -0.0009500400000000, 0.0006085700000000, 0.0005145800000000 ] - [ 0.0000087100000000, -0.0008052600000000, 0.0004575500000000 ] - [ -0.0000805500000000, -0.0001510600000000, -0.0001263600000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0006077800000000, 0.0010255900000000, 0.0000174400000000 ] - [ 0.0021845800000000, 0.0023865100000000, 0.0001763600000000 ] - [ -0.0183201700000000, 0.0012344700000000, 0.0033165600000000 ] - [ 0.0008601300000000, 0.0022632300000000, -0.0001829200000000 ] - [ -0.0050524700000000, 0.0013149400000000, -0.0025478100000000 ] - [ 0.0042766200000000, -0.0000545100000000, 0.0005332200000000 ] - [ 0.0040487900000000, -0.0054507900000000, 0.0113677900000000 ] - [ 0.0006093100000000, 0.0004381100000000, -0.0001138000000000 ] - [ 0.0132203200000000, -0.0005260300000000, -0.0046827400000000 ] - [ -0.0020282100000000, -0.0008483500000000, 0.0041429000000000 ] - [ 0.0015182000000000, 0.0014821400000000, -0.0003689900000000 ] - [ -0.0026134100000000, 0.0005356700000000, 0.0001526900000000 ] - [ 0.0007778500000000, 0.0012229100000000, 0.0000526200000000 ] - [ -0.0006642200000000, 0.0015584100000000, -0.0003002900000000 ] - [ 0.0007303100000000, 0.0004488100000000, 0.0003076800000000 ] - [ 0.0888059500000000, -0.0927256500000000, -0.0213558200000000 ] - [ 0.1902504200000000, -0.0999695000000000, 0.0353444100000000 ] - [ -0.0031987400000000, -0.0004475000000000, 0.0009974900000000 ] - [ -0.0006515000000000, 0.0016579800000000, 0.0001579600000000 ] - [ -0.0027362000000000, -0.0012219900000000, 0.0005926700000000 ] - [ 0.0010611400000000, 0.0030329600000000, -0.0023686200000000 ] - [ -0.0012185700000000, -0.0010543600000000, 0.0001586400000000 ] - [ -0.0017261800000000, 0.0003745900000000, -0.0002795300000000 ] - [ -0.0062773900000000, -0.0185561100000000, 0.0125317400000000 ] - [ -0.0008409200000000, -0.0006674200000000, -0.0000348800000000 ] - [ -0.0010303200000000, 0.0027923200000000, 0.0010333600000000 ] - [ -0.0069671200000000, -0.0002391400000000, -0.0001764200000000 ] - [ 0.0004975300000000, 0.0101238400000000, -0.0008353300000000 ] - [ -0.0056398300000000, -0.0023730400000000, 0.0000536600000000 ] - [ 0.0098121600000000, -0.0022594300000000, -0.0147930900000000 ] - [ -0.0008013400000000, -0.0039157700000000, 0.0022339200000000 ] - [ -0.0013386800000000, 0.0002932600000000, 0.0003798100000000 ] - [ -0.3386025200000000, 0.2607816100000000, -0.0173151500000000 ] - [ 0.0016834100000000, 0.0009288600000000, -0.0001979600000000 ] - [ 0.0058385100000000, 0.0031347500000000, -0.0001765300000000 ] - [ 0.0018787500000000, 0.0014478800000000, -0.0006390300000000 ] - [ 0.0033378200000000, 0.0015382800000000, 0.0004895800000000 ] - [ -0.0022071900000000, 0.0023120500000000, -0.0004084900000000 ] - [ -0.0062104500000000, 0.0048615200000000, 0.0002034500000000 ] - [ -0.0048869400000000, 0.0068228200000000, -0.0012138300000000 ] - [ -0.0000283800000000, -0.0005233400000000, 0.0001628100000000 ] - [ -0.0006947900000000, -0.0004937800000000, 0.0001749600000000 ] - [ 0.0031675000000000, -0.0005510700000000, -0.0047976500000000 ] - [ -0.0000703900000000, -0.0006334200000000, 0.0001036800000000 ] - [ 0.0008608900000000, -0.0001521900000000, 0.0008171200000000 ] - [ -0.0020207200000000, 0.0001150800000000, 0.0009973900000000 ] - [ -0.0028020700000000, -0.0083924300000000, -0.0153564300000000 ] - [ -0.0000582800000000, 0.0000068300000000, -0.0000827700000000 ] - [ 0.0005270800000000, -0.0008104300000000, -0.0000380200000000 ] - [ -0.0011398800000000, -0.0003242200000000, -0.0001489700000000 ] - [ 0.0347688500000000, -0.0161508400000000, -0.0027653500000000 ] - [ -0.0019800800000000, -0.0017878500000000, 0.0008118200000000 ] - [ 0.0008941400000000, -0.0015027900000000, 0.0004013200000000 ] - [ -0.0007013000000000, -0.0007302600000000, -0.0001024500000000 ] - [ 0.0000865700000000, 0.0006561700000000, -0.0018559200000000 ] - [ -0.0008763400000000, -0.0002634600000000, 0.0001216900000000 ] - [ -0.0000480000000000, -0.0003709900000000, 0.0000956700000000 ] - [ -0.0003321900000000, -0.0010681900000000, -0.0002255000000000 ] - [ 0.0060095000000000, -0.0034433000000000, 0.0028924700000000 ] - [ -0.0024388700000000, -0.0006758700000000, -0.0029093600000000 ] - [ -0.0105495700000000, -0.0118296700000000, 0.0053972200000000 ] - [ 0.0013248000000000, -0.0007940300000000, -0.0012990300000000 ] - [ -0.0002699400000000, -0.0006133800000000, 0.0001385200000000 ] - [ -0.0000501500000000, -0.0005162100000000, -0.0001131000000000 ] - [ 0.0006524000000000, -0.0005893000000000, -0.0000708200000000 ] - [ -0.0025303500000000, -0.0031454100000000, -0.0001182800000000 ] - [ -0.0005134200000000, -0.0009296800000000, -0.0000293900000000 ] - [ -0.0007662800000000, -0.0015425700000000, -0.0001408000000000 ] - [ -0.0014975200000000, -0.0014485200000000, 0.0004049500000000 ] - [ 0.0001896200000000, 0.0001603700000000, -0.0001001100000000 ] - [ 0.0008194300000000, -0.0007640000000000, 0.0000883900000000 ] - [ 0.0001315700000000, 0.0000612000000000, 0.0000453500000000 ] - [ 0.0067204100000000, -0.0076889700000000, 0.0238074100000000 ] - [ 0.0013728200000000, 0.0003576700000000, -0.0005872900000000 ] - [ 0.0003628200000000, -0.0008989300000000, -0.0004335000000000 ] - [ 0.0016316600000000, 0.0004003200000000, -0.0005571800000000 ] - [ -0.0003615100000000, -0.0019436400000000, 0.0021606100000000 ] - [ 0.0006083900000000, 0.0003664500000000, -0.0000986700000000 ] - [ 0.0003533700000000, -0.0003555700000000, -0.0000634200000000 ] - [ 0.0006810400000000, 0.0023965900000000, -0.0045828000000000 ] - [ 0.0013268500000000, -0.0181708400000000, 0.0013059300000000 ] - [ 0.0021808400000000, 0.0004727300000000, -0.0004648500000000 ] - [ 0.0009530000000000, -0.0001735500000000, -0.0000965900000000 ] - [ 0.0004043300000000, 0.0007498600000000, -0.0000416000000000 ] - [ -0.0015592500000000, -0.0022297600000000, 0.0024005400000000 ] - [ 0.0008763800000000, 0.0012530400000000, -0.0000481600000000 ] - [ 0.0013280300000000, -0.0003490900000000, -0.0000846400000000 ] - [ 0.0063395400000000, 0.0025174700000000, -0.0013496500000000 ] - [ 0.0308252200000000, 0.0014249500000000, -0.0125667400000000 ] - [ 0.0014820200000000, -0.0002638400000000, -0.0007182800000000 ] - [ 0.0005280400000000, -0.0011357300000000, 0.0008257800000000 ] - [ 0.0008244200000000, 0.0002302300000000, 0.0002997600000000 ] - [ 0.0005986700000000, 0.0001813400000000, -0.0002481700000000 ] - [ 0.0014859000000000, -0.0031798400000000, -0.0014243200000000 ] - [ 0.0030283700000000, -0.0004648200000000, 0.0010847600000000 ] - [ 0.0001732000000000, 0.0018476100000000, 0.0027289300000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0005189300000000, -0.0010692100000000, 0.0003701500000000 ] - [ -0.0022264900000000, -0.0022856200000000, 0.0002112100000000 ] - [ 0.0183744000000000, -0.0013256400000000, -0.0029466100000000 ] - [ -0.0007720100000000, -0.0022729800000000, -0.0002063400000000 ] - [ 0.0049627200000000, -0.0012827900000000, 0.0021675400000000 ] - [ -0.0041575400000000, 0.0001003900000000, -0.0001528700000000 ] - [ -0.0040958300000000, 0.0053097700000000, -0.0116391500000000 ] - [ -0.0005719700000000, -0.0003494600000000, -0.0002726900000000 ] - [ -0.0129923800000000, 0.0006010600000000, 0.0042191200000000 ] - [ 0.0020343400000000, 0.0007626200000000, -0.0045435700000000 ] - [ -0.0015608000000000, -0.0013878500000000, -0.0000186000000000 ] - [ 0.0025187500000000, -0.0004955500000000, 0.0002404900000000 ] - [ -0.0006883500000000, -0.0012529600000000, 0.0003315400000000 ] - [ 0.0005745900000000, -0.0016045800000000, -0.0000865500000000 ] - [ -0.0006928200000000, -0.0003583200000000, 0.0000785400000000 ] - [ -0.0900973600000000, 0.0966974800000000, 0.0225924500000000 ] - [ -0.1815580100000000, 0.0928557500000000, -0.0325711100000000 ] - [ 0.0031525800000000, 0.0005304000000000, -0.0006034600000000 ] - [ 0.0006993200000000, -0.0017341100000000, 0.0002310700000000 ] - [ 0.0028141400000000, 0.0011797100000000, -0.0009848500000000 ] - [ -0.0011404000000000, -0.0029800800000000, 0.0019750000000000 ] - [ 0.0013017800000000, 0.0011016800000000, 0.0002270000000000 ] - [ 0.0016843300000000, -0.0004551100000000, -0.0001073000000000 ] - [ 0.0063238100000000, 0.0184754600000000, -0.0128212800000000 ] - [ 0.0009240800000000, 0.0007113600000000, -0.0003530600000000 ] - [ 0.0010788700000000, -0.0028676200000000, -0.0014212500000000 ] - [ 0.0068997700000000, 0.0003235700000000, -0.0002016500000000 ] - [ -0.0005863500000000, -0.0100697700000000, 0.0012265700000000 ] - [ 0.0057206400000000, 0.0023380300000000, 0.0003275500000000 ] - [ -0.0098433200000000, 0.0021910300000000, 0.0143716600000000 ] - [ 0.0008573700000000, 0.0039807700000000, -0.0018294300000000 ] - [ 0.0012969800000000, -0.0003755200000000, 0.0000087800000000 ] - [ 0.3305654800000000, -0.2575228900000000, 0.0138759700000000 ] - [ -0.0017189000000000, -0.0008825000000000, 0.0000518900000000 ] - [ -0.0058019000000000, -0.0031807300000000, 0.0000345300000000 ] - [ -0.0018269000000000, -0.0014852900000000, 0.0007859800000000 ] - [ -0.0033711800000000, -0.0014910100000000, -0.0003468900000000 ] - [ 0.0022283600000000, -0.0022547200000000, 0.0002634900000000 ] - [ 0.0061384700000000, -0.0048739700000000, -0.0000683600000000 ] - [ 0.0048731300000000, -0.0067283700000000, 0.0013568700000000 ] - [ -0.0003865200000000, 0.0002743400000000, -0.0001623200000000 ] - [ 0.0004464900000000, 0.0009064400000000, -0.0001766500000000 ] - [ -0.0029212700000000, 0.0001383100000000, 0.0048259200000000 ] - [ 0.0004875000000000, 0.0003783900000000, -0.0000982600000000 ] - [ -0.0012758700000000, 0.0004024800000000, -0.0008233600000000 ] - [ 0.0024210700000000, 0.0001303900000000, -0.0009767300000000 ] - [ 0.0026965600000000, 0.0079364000000000, 0.0152172000000000 ] - [ 0.0003091100000000, 0.0004099000000000, 0.0000801800000000 ] - [ -0.0003412300000000, 0.0008098600000000, -0.0001356800000000 ] - [ 0.0011440100000000, 0.0001397000000000, -0.0000192900000000 ] - [ -0.0352342500000000, 0.0166376100000000, 0.0025909900000000 ] - [ 0.0017791400000000, 0.0017626800000000, -0.0006305900000000 ] - [ -0.0007115700000000, 0.0015064600000000, -0.0002336400000000 ] - [ 0.0005149400000000, 0.0007206300000000, -0.0000632200000000 ] - [ -0.0000523400000000, -0.0004646500000000, 0.0020101500000000 ] - [ 0.0008785400000000, 0.0000791000000000, 0.0000522400000000 ] - [ 0.0000625900000000, 0.0003577800000000, -0.0000963200000000 ] - [ 0.0003244400000000, 0.0010471300000000, 0.0002205600000000 ] - [ -0.0060143100000000, 0.0034712900000000, -0.0028991200000000 ] - [ 0.0024123900000000, 0.0006836800000000, 0.0028875900000000 ] - [ 0.0105943500000000, 0.0116660300000000, -0.0053055500000000 ] - [ -0.0013042000000000, 0.0008030800000000, 0.0012994100000000 ] - [ 0.0002597100000000, 0.0005941700000000, -0.0001369100000000 ] - [ 0.0000668300000000, 0.0005045600000000, 0.0001149000000000 ] - [ -0.0006924400000000, 0.0005472400000000, -0.0000745900000000 ] - [ 0.0024788200000000, 0.0031706700000000, -0.0000252200000000 ] - [ 0.0005498600000000, 0.0008811700000000, -0.0001135800000000 ] - [ 0.0007985500000000, 0.0014872200000000, 0.0002836000000000 ] - [ 0.0014525600000000, 0.0014845700000000, -0.0002599600000000 ] - [ -0.0001441100000000, -0.0001227000000000, -0.0000422500000000 ] - [ -0.0008604900000000, 0.0007222600000000, 0.0000546500000000 ] - [ -0.0000879100000000, -0.0000226000000000, 0.0001001400000000 ] - [ -0.0070850900000000, 0.0073447300000000, -0.0235539500000000 ] - [ -0.0016170500000000, 0.0000607700000000, 0.0005793500000000 ] - [ -0.0001148700000000, 0.0004758500000000, 0.0004315700000000 ] - [ -0.0012111300000000, -0.0006497400000000, 0.0005636400000000 ] - [ -0.0000568600000000, 0.0021861000000000, -0.0021525500000000 ] - [ -0.0001884400000000, -0.0001198700000000, 0.0000980300000000 ] - [ -0.0006024000000000, -0.0000633700000000, 0.0000646200000000 ] - [ -0.0004376000000000, -0.0019598100000000, 0.0045413700000000 ] - [ -0.0011891500000000, 0.0180654100000000, -0.0014621100000000 ] - [ -0.0021810700000000, -0.0006509500000000, 0.0002919500000000 ] - [ -0.0009544400000000, 0.0003559500000000, -0.0000756100000000 ] - [ -0.0005851700000000, -0.0007514800000000, 0.0002154800000000 ] - [ 0.0017319900000000, 0.0022214300000000, -0.0022213700000000 ] - [ -0.0010555600000000, -0.0012586900000000, -0.0001193600000000 ] - [ -0.0013299300000000, 0.0005279800000000, 0.0002512900000000 ] - [ -0.0063086800000000, -0.0026742000000000, 0.0015122900000000 ] - [ -0.0301831500000000, -0.0015085700000000, 0.0123398300000000 ] - [ -0.0014900500000000, 0.0002512700000000, 0.0007148100000000 ] - [ -0.0005157300000000, 0.0011436700000000, -0.0008219400000000 ] - [ -0.0008352300000000, -0.0002212100000000, -0.0003003800000000 ] - [ -0.0006096100000000, -0.0001715100000000, 0.0002489100000000 ] - [ -0.0014723800000000, 0.0031827600000000, 0.0014230700000000 ] - [ -0.0030329100000000, 0.0004506300000000, -0.0010834900000000 ] - [ -0.0001667500000000, -0.0018531000000000, -0.0027221300000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000207600000000, -0.0000984200000000, 0.0000132300000000 ] - [ -0.0001566900000000, 0.0001485000000000, 0.0008113600000000 ] - [ -0.0003492400000000, 0.0002681800000000, 0.0012262800000000 ] - [ -0.0001790000000000, 0.0014945800000000, -0.0005419500000000 ] - [ 0.0001384200000000, 0.0002461200000000, -0.0003508800000000 ] - [ -0.0012054800000000, -0.0009145500000000, -0.0038981600000000 ] - [ 0.0020547900000000, 0.0010099000000000, -0.0115128600000000 ] - [ 0.0001476500000000, 0.0000631300000000, -0.0001158500000000 ] - [ 0.0029646400000000, 0.0044304700000000, -0.0037221500000000 ] - [ 0.0029622000000000, -0.0004481600000000, 0.0001875300000000 ] - [ 0.0002577200000000, 0.0004455500000000, -0.0000214300000000 ] - [ 0.0003508900000000, -0.0001468500000000, -0.0004440500000000 ] - [ 0.0000869300000000, -0.0001326800000000, -0.0005574600000000 ] - [ -0.0000257900000000, 0.0000531400000000, -0.0002732600000000 ] - [ -0.0000608600000000, -0.0000193000000000, 0.0004156600000000 ] - [ -0.0233653400000000, 0.0355131900000000, 0.0399636000000000 ] - [ 0.0355131900000000, -0.0233653400000000, 0.0399636000000000 ] - [ -0.0001326800000000, 0.0000869300000000, -0.0005574600000000 ] - [ -0.0001468500000000, 0.0003508900000000, -0.0004440500000000 ] - [ 0.0004455500000000, 0.0002577200000000, -0.0000214300000000 ] - [ -0.0004481600000000, 0.0029622000000000, 0.0001875300000000 ] - [ -0.0000193000000000, -0.0000608600000000, 0.0004156600000000 ] - [ 0.0000531400000000, -0.0000257900000000, -0.0002732600000000 ] - [ 0.0044304700000000, 0.0029646400000000, -0.0037221500000000 ] - [ 0.0000631300000000, 0.0001476500000000, -0.0001158500000000 ] - [ 0.0002461200000000, 0.0001384200000000, -0.0003508800000000 ] - [ 0.0014945800000000, -0.0001790000000000, -0.0005419500000000 ] - [ 0.0002681800000000, -0.0003492400000000, 0.0012262800000000 ] - [ 0.0001485000000000, -0.0001566900000000, 0.0008113600000000 ] - [ 0.0010099000000000, 0.0020547900000000, -0.0115128600000000 ] - [ -0.0009145500000000, -0.0012054800000000, -0.0038981600000000 ] - [ -0.0000984200000000, -0.0000207600000000, 0.0000132300000000 ] - [ -0.0155431100000000, -0.0155431100000000, -0.0728364300000000 ] - [ -0.0001469400000000, -0.0000190500000000, 0.0001108200000000 ] - [ 0.0001300200000000, -0.0000679000000000, -0.0003875400000000 ] - [ -0.0006914700000000, -0.0003549000000000, 0.0000495500000000 ] - [ -0.0004412600000000, -0.0001900100000000, 0.0001156700000000 ] - [ 0.0003595100000000, 0.0003595100000000, 0.0011365200000000 ] - [ -0.0001570000000000, -0.0001570000000000, 0.0029113600000000 ] - [ -0.0012605800000000, -0.0012605800000000, 0.0007145000000000 ] - [ -0.0001986100000000, -0.0001230600000000, 0.0001350500000000 ] - [ -0.0001490100000000, 0.0001711300000000, -0.0003925100000000 ] - [ -0.0001330000000000, -0.0003259600000000, -0.0013460000000000 ] - [ 0.0002153700000000, -0.0003251700000000, 0.0006323700000000 ] - [ -0.0002334800000000, 0.0000917300000000, 0.0003566900000000 ] - [ 0.0000935600000000, -0.0005031100000000, 0.0029338200000000 ] - [ -0.0088367100000000, 0.0148902500000000, 0.0127283300000000 ] - [ 0.0001125100000000, 0.0002323100000000, -0.0001603200000000 ] - [ 0.0000262900000000, 0.0001166800000000, 0.0000237800000000 ] - [ 0.0000931500000000, -0.0000756500000000, -0.0002219300000000 ] - [ 0.0030678600000000, -0.0009953800000000, -0.0052701400000000 ] - [ -0.0005711700000000, -0.0019641000000000, 0.0005145400000000 ] - [ 0.0000575900000000, -0.0000952100000000, 0.0001099500000000 ] - [ 0.0000450000000000, 0.0002990700000000, 0.0005753600000000 ] - [ -0.0030129200000000, -0.0001975900000000, 0.0014762500000000 ] - [ -0.0001412200000000, -0.0001472300000000, 0.0000735700000000 ] - [ -0.0000445200000000, 0.0000053300000000, 0.0000426800000000 ] - [ 0.0002050000000000, -0.0003825600000000, -0.0002352200000000 ] - [ 0.0000203000000000, 0.0000003600000000, -0.0001619400000000 ] - [ 0.0015443100000000, 0.0017098700000000, 0.0035455700000000 ] - [ 0.0008792600000000, -0.0122217200000000, -0.0029097300000000 ] - [ -0.0006855500000000, 0.0004020100000000, 0.0003847600000000 ] - [ 0.0000499100000000, -0.0000818000000000, 0.0001773400000000 ] - [ 0.0000199900000000, -0.0000201400000000, -0.0000335000000000 ] - [ -0.0000206200000000, -0.0000206200000000, -0.0000286700000000 ] - [ -0.0000679000000000, 0.0001300200000000, -0.0003875400000000 ] - [ -0.0000190500000000, -0.0001469400000000, 0.0001108200000000 ] - [ -0.0001900100000000, -0.0004412600000000, 0.0001156700000000 ] - [ -0.0003549000000000, -0.0006914700000000, 0.0000495500000000 ] - [ 0.0000513200000000, 0.0000513200000000, -0.0001510400000000 ] - [ -0.0000396100000000, -0.0000396100000000, 0.0000932100000000 ] - [ -0.0000052300000000, -0.0000052300000000, 0.0000667700000000 ] - [ 0.0148902500000000, -0.0088367100000000, 0.0127283300000000 ] - [ -0.0003251700000000, 0.0002153700000000, 0.0006323700000000 ] - [ 0.0000917300000000, -0.0002334800000000, 0.0003566900000000 ] - [ 0.0001711300000000, -0.0001490100000000, -0.0003925100000000 ] - [ -0.0003259600000000, -0.0001330000000000, -0.0013460000000000 ] - [ 0.0002323100000000, 0.0001125100000000, -0.0001603200000000 ] - [ -0.0001230600000000, -0.0001986100000000, 0.0001350500000000 ] - [ -0.0005031100000000, 0.0000935600000000, 0.0029338200000000 ] - [ -0.0009953800000000, 0.0030678600000000, -0.0052701400000000 ] - [ 0.0002990700000000, 0.0000450000000000, 0.0005753600000000 ] - [ 0.0001166800000000, 0.0000262900000000, 0.0000237800000000 ] - [ -0.0001472300000000, -0.0001412200000000, 0.0000735700000000 ] - [ -0.0001975900000000, -0.0030129200000000, 0.0014762500000000 ] - [ -0.0000756500000000, 0.0000931500000000, -0.0002219300000000 ] - [ -0.0000952100000000, 0.0000575900000000, 0.0001099500000000 ] - [ -0.0019641000000000, -0.0005711700000000, 0.0005145400000000 ] - [ -0.0122217200000000, 0.0008792600000000, -0.0029097300000000 ] - [ -0.0000818000000000, 0.0000499100000000, 0.0001773400000000 ] - [ 0.0004020100000000, -0.0006855500000000, 0.0003847600000000 ] - [ -0.0000201400000000, 0.0000199900000000, -0.0000335000000000 ] - [ 0.0000053300000000, -0.0000445200000000, 0.0000426800000000 ] - [ 0.0000003600000000, 0.0000203000000000, -0.0001619400000000 ] - [ -0.0003825600000000, 0.0002050000000000, -0.0002352200000000 ] - [ 0.0017098700000000, 0.0015443100000000, 0.0035455700000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000626900000000, 0.0000529500000000, 0.0003690400000000 ] - [ 0.0001087900000000, -0.0000647700000000, -0.0004256100000000 ] - [ 0.0003591500000000, -0.0003534500000000, -0.0008295300000000 ] - [ 0.0002610500000000, -0.0015315300000000, 0.0001548000000000 ] - [ -0.0002255900000000, -0.0001986700000000, -0.0000396000000000 ] - [ 0.0012847700000000, 0.0009519800000000, 0.0042734100000000 ] - [ -0.0020930900000000, -0.0010957600000000, 0.0111066700000000 ] - [ -0.0001023800000000, 0.0000220900000000, -0.0002676300000000 ] - [ -0.0028387900000000, -0.0043932100000000, 0.0032958600000000 ] - [ -0.0029041700000000, 0.0003608100000000, -0.0005647200000000 ] - [ -0.0003020700000000, -0.0003596000000000, -0.0003610800000000 ] - [ -0.0004332300000000, 0.0001913300000000, 0.0008252100000000 ] - [ -0.0000024200000000, 0.0000846500000000, 0.0009372700000000 ] - [ -0.0000568100000000, -0.0000971500000000, -0.0001123100000000 ] - [ 0.0001055800000000, 0.0001049200000000, -0.0000313600000000 ] - [ 0.0235754500000000, -0.0361377700000000, -0.0402286900000000 ] - [ -0.0361377700000000, 0.0235754500000000, -0.0402286900000000 ] - [ 0.0000846500000000, -0.0000024200000000, 0.0009372700000000 ] - [ 0.0001913300000000, -0.0004332300000000, 0.0008252100000000 ] - [ -0.0003596000000000, -0.0003020700000000, -0.0003610800000000 ] - [ 0.0003608100000000, -0.0029041700000000, -0.0005647200000000 ] - [ 0.0001049200000000, 0.0001055800000000, -0.0000313600000000 ] - [ -0.0000971500000000, -0.0000568100000000, -0.0001123100000000 ] - [ -0.0043932100000000, -0.0028387900000000, 0.0032958600000000 ] - [ 0.0000220900000000, -0.0001023800000000, -0.0002676300000000 ] - [ -0.0001986700000000, -0.0002255900000000, -0.0000396000000000 ] - [ -0.0015315300000000, 0.0002610500000000, 0.0001548000000000 ] - [ -0.0003534500000000, 0.0003591500000000, -0.0008295300000000 ] - [ -0.0000647700000000, 0.0001087900000000, -0.0004256100000000 ] - [ -0.0010957600000000, -0.0020930900000000, 0.0111066700000000 ] - [ 0.0009519800000000, 0.0012847700000000, 0.0042734100000000 ] - [ 0.0000529500000000, -0.0000626900000000, 0.0003690400000000 ] - [ 0.0156063700000000, 0.0156063700000000, 0.0736997200000000 ] - [ 0.0001041700000000, 0.0000632200000000, -0.0002572800000000 ] - [ -0.0000822500000000, 0.0000271100000000, 0.0002391500000000 ] - [ 0.0007324700000000, 0.0003113900000000, 0.0000955400000000 ] - [ 0.0003962100000000, 0.0002330200000000, 0.0000318600000000 ] - [ -0.0003139800000000, -0.0003139800000000, -0.0012798700000000 ] - [ 0.0001167500000000, 0.0001167500000000, -0.0027606100000000 ] - [ 0.0013092800000000, 0.0013092800000000, -0.0005593500000000 ] - [ -0.0002178500000000, -0.0001255000000000, -0.0001322400000000 ] - [ -0.0000983800000000, 0.0002450300000000, 0.0003890400000000 ] - [ 0.0003819900000000, -0.0000905600000000, 0.0013350300000000 ] - [ 0.0002011800000000, 0.0000768100000000, -0.0006282000000000 ] - [ -0.0001830700000000, 0.0001560300000000, -0.0003550800000000 ] - [ 0.0003222400000000, 0.0007558900000000, -0.0029220900000000 ] - [ 0.0084835300000000, -0.0150482500000000, -0.0125766300000000 ] - [ 0.0001353700000000, 0.0001841400000000, 0.0001562500000000 ] - [ 0.0001558000000000, -0.0001166500000000, -0.0001972600000000 ] - [ -0.0000913900000000, -0.0001055600000000, 0.0000524700000000 ] - [ -0.0030363300000000, 0.0011580000000000, 0.0050890900000000 ] - [ 0.0003838400000000, 0.0019556700000000, -0.0003370600000000 ] - [ 0.0001236400000000, 0.0000926000000000, 0.0000585400000000 ] - [ -0.0002247800000000, -0.0002954000000000, -0.0007431500000000 ] - [ 0.0030005900000000, 0.0003776500000000, -0.0013065500000000 ] - [ 0.0001406500000000, -0.0000357000000000, 0.0000987800000000 ] - [ 0.0000535200000000, -0.0000150000000000, -0.0000427900000000 ] - [ -0.0002131500000000, 0.0003720200000000, 0.0002326400000000 ] - [ -0.0000053000000000, 0.0000047900000000, 0.0001652800000000 ] - [ -0.0015485100000000, -0.0016942900000000, -0.0035371900000000 ] - [ -0.0008889500000000, 0.0122307000000000, 0.0029604200000000 ] - [ 0.0006922300000000, -0.0003910400000000, -0.0003832800000000 ] - [ -0.0000586500000000, 0.0000724900000000, -0.0001788100000000 ] - [ -0.0000106700000000, 0.0000110000000000, 0.0000329100000000 ] - [ -0.0000226200000000, -0.0000226200000000, -0.0001198000000000 ] - [ 0.0000271100000000, -0.0000822500000000, 0.0002391500000000 ] - [ 0.0000632200000000, 0.0001041700000000, -0.0002572800000000 ] - [ 0.0002330200000000, 0.0003962100000000, 0.0000318600000000 ] - [ 0.0003113900000000, 0.0007324700000000, 0.0000955400000000 ] - [ -0.0000079500000000, -0.0000079500000000, 0.0000047900000000 ] - [ -0.0000041800000000, -0.0000041800000000, 0.0000521900000000 ] - [ 0.0000482200000000, 0.0000482200000000, 0.0000806500000000 ] - [ -0.0150482500000000, 0.0084835300000000, -0.0125766300000000 ] - [ 0.0000768100000000, 0.0002011800000000, -0.0006282000000000 ] - [ 0.0001560300000000, -0.0001830700000000, -0.0003550800000000 ] - [ 0.0002450300000000, -0.0000983800000000, 0.0003890400000000 ] - [ -0.0000905600000000, 0.0003819900000000, 0.0013350300000000 ] - [ 0.0001841400000000, 0.0001353700000000, 0.0001562500000000 ] - [ -0.0001255000000000, -0.0002178500000000, -0.0001322400000000 ] - [ 0.0007558900000000, 0.0003222400000000, -0.0029220900000000 ] - [ 0.0011580000000000, -0.0030363300000000, 0.0050890900000000 ] - [ -0.0002954000000000, -0.0002247800000000, -0.0007431500000000 ] - [ -0.0001166500000000, 0.0001558000000000, -0.0001972600000000 ] - [ -0.0000357000000000, 0.0001406500000000, 0.0000987800000000 ] - [ 0.0003776500000000, 0.0030005900000000, -0.0013065500000000 ] - [ -0.0001055600000000, -0.0000913900000000, 0.0000524700000000 ] - [ 0.0000926000000000, 0.0001236400000000, 0.0000585400000000 ] - [ 0.0019556700000000, 0.0003838400000000, -0.0003370600000000 ] - [ 0.0122307000000000, -0.0008889500000000, 0.0029604200000000 ] - [ 0.0000724900000000, -0.0000586500000000, -0.0001788100000000 ] - [ -0.0003910400000000, 0.0006922300000000, -0.0003832800000000 ] - [ 0.0000110000000000, -0.0000106700000000, 0.0000329100000000 ] - [ -0.0000150000000000, 0.0000535200000000, -0.0000427900000000 ] - [ 0.0000047900000000, -0.0000053000000000, 0.0001652800000000 ] - [ 0.0003720200000000, -0.0002131500000000, 0.0002326400000000 ] - [ -0.0016942900000000, -0.0015485100000000, -0.0035371900000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0482729100000000, 0.0057707800000000, 0.0589663100000000 ] - [ -0.0020957400000000, -0.0003937300000000, -0.0000218100000000 ] - [ 0.0005037800000000, 0.0000819900000000, 0.0002868500000000 ] - [ -0.0021500500000000, -0.0001499300000000, -0.0003156900000000 ] - [ 0.0022180600000000, -0.0021152300000000, -0.0019654100000000 ] - [ -0.0006736800000000, 0.0003488600000000, 0.0003341900000000 ] - [ -0.0000292900000000, 0.0003031300000000, -0.0001204800000000 ] - [ -0.0003790100000000, -0.0050457300000000, 0.0020510800000000 ] - [ -0.0006736800000000, 0.0003488600000000, -0.0003341900000000 ] - [ 0.0005037800000000, 0.0000819900000000, -0.0002868500000000 ] - [ -0.0020957400000000, -0.0003937300000000, 0.0000218100000000 ] - [ 0.0022180600000000, -0.0021152300000000, 0.0019654100000000 ] - [ -0.0021500500000000, -0.0001499300000000, 0.0003156900000000 ] - [ 0.0482729100000000, 0.0057707800000000, -0.0589663100000000 ] - [ -0.0003790100000000, -0.0050457300000000, -0.0020510800000000 ] - [ -0.0000292900000000, 0.0003031300000000, 0.0001204800000000 ] - [ -0.0004280000000000, 0.0000042900000000, 0.0002287800000000 ] - [ -0.0001345400000000, -0.0001832600000000, 0.0001531300000000 ] - [ -0.0029332700000000, 0.0000447700000000, -0.0000919900000000 ] - [ 0.0004480600000000, 0.0001566100000000, -0.0002326200000000 ] - [ -0.0014864300000000, -0.0001784500000000, -0.0004560900000000 ] - [ 0.0038726300000000, 0.0001132600000000, 0.0011587900000000 ] - [ -0.0045007300000000, 0.0080711300000000, -0.0005493900000000 ] - [ -0.0004893800000000, 0.0001116100000000, -0.0001486300000000 ] - [ 0.0038726300000000, 0.0001132600000000, -0.0011587900000000 ] - [ -0.0029332700000000, 0.0000447700000000, 0.0000919900000000 ] - [ -0.0001345400000000, -0.0001832600000000, -0.0001531300000000 ] - [ -0.0014864300000000, -0.0001784500000000, 0.0004560900000000 ] - [ 0.0004480600000000, 0.0001566100000000, 0.0002326200000000 ] - [ -0.0004280000000000, 0.0000042900000000, -0.0002287800000000 ] - [ -0.0004893800000000, 0.0001116100000000, 0.0001486300000000 ] - [ -0.0045007300000000, 0.0080711300000000, 0.0005493900000000 ] - [ 0.0001603900000000, -0.0001652100000000, -0.0000592900000000 ] - [ -0.0001672200000000, 0.0003678000000000, -0.0001872700000000 ] - [ -0.0002590300000000, -0.0001662700000000, -0.0000761100000000 ] - [ -0.0002590300000000, -0.0001662700000000, 0.0000761100000000 ] - [ -0.0001672200000000, 0.0003678000000000, 0.0001872700000000 ] - [ 0.0004187500000000, -0.0001836200000000, -0.0000932100000000 ] - [ 0.0001603900000000, -0.0001652100000000, 0.0000592900000000 ] - [ 0.0004187500000000, -0.0001836200000000, 0.0000932100000000 ] - [ -0.0902113400000000, -0.0133690300000000, 0.0000000000000000 ] - [ 0.0004874000000000, 0.0002843500000000, 0.0000000000000000 ] - [ -0.0000424800000000, -0.0002845900000000, 0.0000000000000000 ] - [ 0.0010975000000000, -0.0000972600000000, 0.0000000000000000 ] - [ -0.0014820200000000, -0.0001081000000000, 0.0000000000000000 ] - [ 0.0005160900000000, -0.0000120600000000, 0.0000000000000000 ] - [ -0.0001088900000000, -0.0003293800000000, 0.0000000000000000 ] - [ 0.0001981200000000, 0.0014433100000000, 0.0000000000000000 ] - [ -0.0057828600000000, 0.0043436400000000, 0.0037980700000000 ] - [ 0.0012508700000000, 0.0004930500000000, 0.0003934700000000 ] - [ -0.0002432100000000, 0.0000389800000000, -0.0000556400000000 ] - [ 0.0003440700000000, -0.0001584600000000, 0.0001278500000000 ] - [ -0.0057828600000000, 0.0043436400000000, -0.0037980700000000 ] - [ 0.0003440700000000, -0.0001584600000000, -0.0001278500000000 ] - [ -0.0002432100000000, 0.0000389800000000, 0.0000556400000000 ] - [ 0.0012508700000000, 0.0004930500000000, -0.0003934700000000 ] - [ -0.0017708000000000, 0.0038563100000000, -0.0133373700000000 ] - [ 0.0010914500000000, -0.0001434700000000, -0.0001562800000000 ] - [ -0.0008815000000000, 0.0004897800000000, -0.0000979000000000 ] - [ 0.0001712700000000, -0.0001843700000000, -0.0000612700000000 ] - [ 0.0001712700000000, -0.0001843700000000, 0.0000612700000000 ] - [ -0.0008815000000000, 0.0004897800000000, 0.0000979000000000 ] - [ 0.0010914500000000, -0.0001434700000000, 0.0001562800000000 ] - [ -0.0017708000000000, 0.0038563100000000, 0.0133373700000000 ] - [ 0.0068327300000000, -0.0081307300000000, 0.0147828700000000 ] - [ 0.0010492700000000, 0.0007056100000000, -0.0000934000000000 ] - [ 0.0014404600000000, 0.0006805300000000, -0.0000316800000000 ] - [ 0.0014404600000000, 0.0006805300000000, 0.0000316800000000 ] - [ 0.0010492700000000, 0.0007056100000000, 0.0000934000000000 ] - [ -0.0021983900000000, 0.0021929800000000, 0.0000454600000000 ] - [ 0.0068327300000000, -0.0081307300000000, -0.0147828700000000 ] - [ -0.0021983900000000, 0.0021929800000000, -0.0000454600000000 ] - [ -0.0000839700000000, -0.0001304600000000, 0.0000000000000000 ] - [ -0.0001145900000000, 0.0002522400000000, 0.0000000000000000 ] - [ 0.0010605500000000, -0.0002528200000000, 0.0000000000000000 ] - [ 0.0000966600000000, -0.0001674100000000, 0.0000000000000000 ] - [ 0.0002370000000000, 0.0001718800000000, 0.0000000000000000 ] - [ -0.0007844800000000, 0.0001039700000000, 0.0000000000000000 ] - [ 0.0006744500000000, -0.0020881500000000, 0.0000000000000000 ] - [ 0.0002856400000000, 0.0001677600000000, 0.0000000000000000 ] - [ 0.0003425800000000, 0.0000209300000000, -0.0001157800000000 ] - [ 0.0002689300000000, -0.0000231500000000, -0.0000856900000000 ] - [ 0.0028895300000000, -0.0006295600000000, -0.0000280800000000 ] - [ -0.0006528900000000, -0.0001474700000000, 0.0001769900000000 ] - [ 0.0003425800000000, 0.0000209300000000, 0.0001157800000000 ] - [ -0.0006528900000000, -0.0001474700000000, -0.0001769900000000 ] - [ 0.0028895300000000, -0.0006295600000000, 0.0000280800000000 ] - [ 0.0002689300000000, -0.0000231500000000, 0.0000856900000000 ] - [ 0.0002207800000000, 0.0000207900000000, -0.0000855500000000 ] - [ -0.0001257700000000, 0.0000395000000000, 0.0000850100000000 ] - [ 0.0010454800000000, -0.0004269200000000, 0.0005246200000000 ] - [ -0.0013730300000000, -0.0026229300000000, -0.0014776800000000 ] - [ -0.0013730300000000, -0.0026229300000000, 0.0014776800000000 ] - [ 0.0010454800000000, -0.0004269200000000, -0.0005246200000000 ] - [ -0.0001257700000000, 0.0000395000000000, -0.0000850100000000 ] - [ 0.0002207800000000, 0.0000207900000000, 0.0000855500000000 ]- atom: 41 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0476530200000000, -0.0058244600000000, -0.0587168000000000 ] - [ 0.0020638400000000, 0.0004813700000000, 0.0004061600000000 ] - [ -0.0004611200000000, -0.0001781900000000, 0.0001030000000000 ] - [ 0.0022396000000000, 0.0001129700000000, -0.0000774100000000 ] - [ -0.0022966400000000, 0.0021219200000000, 0.0015654200000000 ] - [ 0.0007655200000000, -0.0003085000000000, 0.0000564700000000 ] - [ -0.0000060000000000, -0.0003937800000000, -0.0002682900000000 ] - [ 0.0004355500000000, 0.0051791800000000, -0.0024503000000000 ] - [ 0.0007655200000000, -0.0003085000000000, -0.0000564700000000 ] - [ -0.0004611200000000, -0.0001781900000000, -0.0001030000000000 ] - [ 0.0020638400000000, 0.0004813700000000, -0.0004061600000000 ] - [ -0.0022966400000000, 0.0021219200000000, -0.0015654200000000 ] - [ 0.0022396000000000, 0.0001129700000000, 0.0000774100000000 ] - [ -0.0476530200000000, -0.0058244600000000, 0.0587168000000000 ] - [ 0.0004355500000000, 0.0051791800000000, 0.0024503000000000 ] - [ -0.0000060000000000, -0.0003937800000000, 0.0002682900000000 ] - [ 0.0003364200000000, -0.0000463900000000, 0.0001587900000000 ] - [ 0.0000891500000000, 0.0002711400000000, 0.0002324500000000 ] - [ 0.0029788200000000, -0.0001397800000000, 0.0004859900000000 ] - [ -0.0003574100000000, -0.0001979300000000, -0.0001579300000000 ] - [ 0.0013967200000000, 0.0002176500000000, 0.0000645200000000 ] - [ -0.0037934600000000, -0.0000778800000000, -0.0007738100000000 ] - [ 0.0044680200000000, -0.0081801500000000, 0.0001659600000000 ] - [ 0.0005265800000000, -0.0000186700000000, -0.0002381800000000 ] - [ -0.0037934600000000, -0.0000778800000000, 0.0007738100000000 ] - [ 0.0029788200000000, -0.0001397800000000, -0.0004859900000000 ] - [ 0.0000891500000000, 0.0002711400000000, -0.0002324500000000 ] - [ 0.0013967200000000, 0.0002176500000000, -0.0000645200000000 ] - [ -0.0003574100000000, -0.0001979300000000, 0.0001579300000000 ] - [ 0.0003364200000000, -0.0000463900000000, -0.0001587900000000 ] - [ 0.0005265800000000, -0.0000186700000000, 0.0002381800000000 ] - [ 0.0044680200000000, -0.0081801500000000, -0.0001659600000000 ] - [ -0.0001977600000000, 0.0001282000000000, -0.0000794000000000 ] - [ 0.0001366800000000, -0.0003220600000000, 0.0000470600000000 ] - [ 0.0002964500000000, 0.0001317200000000, -0.0000628300000000 ] - [ 0.0002964500000000, 0.0001317200000000, 0.0000628300000000 ] - [ 0.0001366800000000, -0.0003220600000000, -0.0000470600000000 ] - [ -0.0003806100000000, 0.0002183100000000, -0.0000459800000000 ] - [ -0.0001977600000000, 0.0001282000000000, 0.0000794000000000 ] - [ -0.0003806100000000, 0.0002183100000000, 0.0000459800000000 ] - [ 0.0884556900000000, 0.0130020300000000, 0.0000000000000000 ] - [ -0.0007384900000000, 0.0001342600000000, 0.0000000000000000 ] - [ 0.0002906400000000, -0.0001341200000000, 0.0000000000000000 ] - [ -0.0006781900000000, -0.0001531400000000, 0.0000000000000000 ] - [ 0.0010562600000000, 0.0003573900000000, 0.0000000000000000 ] - [ -0.0000951000000000, 0.0002594800000000, 0.0000000000000000 ] - [ -0.0001413900000000, -0.0000917400000000, 0.0000000000000000 ] - [ 0.0000483500000000, -0.0010315600000000, 0.0000000000000000 ] - [ 0.0059989100000000, -0.0043547100000000, -0.0039743400000000 ] - [ -0.0012607700000000, -0.0006801700000000, -0.0005607000000000 ] - [ 0.0002394700000000, 0.0001454800000000, -0.0001118600000000 ] - [ -0.0005275200000000, 0.0001569700000000, 0.0000406000000000 ] - [ 0.0059989100000000, -0.0043547100000000, 0.0039743400000000 ] - [ -0.0005275200000000, 0.0001569700000000, -0.0000406000000000 ] - [ 0.0002394700000000, 0.0001454800000000, 0.0001118600000000 ] - [ -0.0012607700000000, -0.0006801700000000, 0.0005607000000000 ] - [ 0.0017819200000000, -0.0038783100000000, 0.0133162900000000 ] - [ -0.0011046600000000, 0.0001325200000000, 0.0001582600000000 ] - [ 0.0008885000000000, -0.0004731400000000, 0.0000952600000000 ] - [ -0.0001853500000000, 0.0001958600000000, 0.0000598000000000 ] - [ -0.0001853500000000, 0.0001958600000000, -0.0000598000000000 ] - [ 0.0008885000000000, -0.0004731400000000, -0.0000952600000000 ] - [ -0.0011046600000000, 0.0001325200000000, -0.0001582600000000 ] - [ 0.0017819200000000, -0.0038783100000000, -0.0133162900000000 ] - [ -0.0069734100000000, 0.0081983900000000, -0.0151562100000000 ] - [ -0.0010886500000000, -0.0006694400000000, -0.0000443800000000 ] - [ -0.0014054300000000, -0.0007186200000000, -0.0001066200000000 ] - [ -0.0014054300000000, -0.0007186200000000, 0.0001066200000000 ] - [ -0.0010886500000000, -0.0006694400000000, 0.0000443800000000 ] - [ 0.0022412900000000, -0.0021653600000000, -0.0001841600000000 ] - [ -0.0069734100000000, 0.0081983900000000, 0.0151562100000000 ] - [ 0.0022412900000000, -0.0021653600000000, 0.0001841600000000 ] - [ -0.0003354800000000, -0.0001191400000000, 0.0000000000000000 ] - [ -0.0001328000000000, 0.0001684200000000, 0.0000000000000000 ] - [ -0.0008114600000000, -0.0001688100000000, 0.0000000000000000 ] - [ 0.0003240300000000, -0.0000806200000000, 0.0000000000000000 ] - [ -0.0006586800000000, 0.0000786100000000, 0.0000000000000000 ] - [ 0.0012079300000000, 0.0001446700000000, 0.0000000000000000 ] - [ -0.0009253600000000, 0.0016723200000000, 0.0000000000000000 ] - [ -0.0000347800000000, 0.0002519900000000, 0.0000000000000000 ] - [ -0.0001578800000000, -0.0000192100000000, -0.0000508400000000 ] - [ -0.0002658900000000, -0.0001613800000000, -0.0000828600000000 ] - [ -0.0028946900000000, 0.0008164000000000, -0.0001378400000000 ] - [ 0.0004711400000000, 0.0001495800000000, -0.0000089100000000 ] - [ -0.0001578800000000, -0.0000192100000000, 0.0000508400000000 ] - [ 0.0004711400000000, 0.0001495800000000, 0.0000089100000000 ] - [ -0.0028946900000000, 0.0008164000000000, 0.0001378400000000 ] - [ -0.0002658900000000, -0.0001613800000000, 0.0000828600000000 ] - [ -0.0002072100000000, -0.0000332600000000, 0.0000854800000000 ] - [ 0.0001136800000000, -0.0000503700000000, -0.0000854200000000 ] - [ -0.0010319600000000, 0.0004433400000000, -0.0005257600000000 ] - [ 0.0013655900000000, 0.0026457600000000, 0.0014810200000000 ] - [ 0.0013655900000000, 0.0026457600000000, -0.0014810200000000 ] - [ -0.0010319600000000, 0.0004433400000000, 0.0005257600000000 ] - [ 0.0001136800000000, -0.0000503700000000, 0.0000854200000000 ] - [ -0.0002072100000000, -0.0000332600000000, -0.0000854800000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0061510500000000, 0.0363316600000000, 0.0224573000000000 ] - [ -0.0012024400000000, 0.0004320700000000, 0.0001967100000000 ] - [ 0.0012133500000000, -0.0026248300000000, 0.0012831200000000 ] - [ 0.0000968700000000, 0.0012541100000000, -0.0000794500000000 ] - [ 0.0009287500000000, -0.0101953100000000, 0.0009439900000000 ] - [ 0.0002869200000000, 0.0009187700000000, 0.0002111400000000 ] - [ 0.0011308100000000, -0.0002209700000000, -0.0001788400000000 ] - [ -0.0012974300000000, -0.0010579100000000, 0.0015149600000000 ] - [ 0.0002869200000000, 0.0009187700000000, -0.0002111400000000 ] - [ 0.0012133500000000, -0.0026248300000000, -0.0012831200000000 ] - [ -0.0012024400000000, 0.0004320700000000, -0.0001967100000000 ] - [ 0.0009287500000000, -0.0101953100000000, -0.0009439900000000 ] - [ 0.0000968700000000, 0.0012541100000000, 0.0000794500000000 ] - [ 0.0061510500000000, 0.0363316600000000, -0.0224573000000000 ] - [ -0.0012974300000000, -0.0010579100000000, -0.0015149600000000 ] - [ 0.0011308100000000, -0.0002209700000000, 0.0001788400000000 ] - [ -0.0000576300000000, -0.0011206800000000, 0.0003063600000000 ] - [ -0.0018528900000000, -0.0026621400000000, -0.0001961700000000 ] - [ 0.0017469100000000, 0.0000243600000000, 0.0004022100000000 ] - [ 0.0000526800000000, -0.0028326200000000, -0.0004882600000000 ] - [ 0.0001274900000000, -0.0009418300000000, -0.0000253400000000 ] - [ -0.0002152300000000, -0.0026125100000000, -0.0006707300000000 ] - [ 0.0040376000000000, -0.0033176400000000, -0.0021762500000000 ] - [ -0.0010123900000000, -0.0003621500000000, -0.0000869700000000 ] - [ -0.0002152300000000, -0.0026125100000000, 0.0006707300000000 ] - [ 0.0017469100000000, 0.0000243600000000, -0.0004022100000000 ] - [ -0.0018528900000000, -0.0026621400000000, 0.0001961700000000 ] - [ 0.0001274900000000, -0.0009418300000000, 0.0000253400000000 ] - [ 0.0000526800000000, -0.0028326200000000, 0.0004882600000000 ] - [ -0.0000576300000000, -0.0011206800000000, -0.0003063600000000 ] - [ -0.0010123900000000, -0.0003621500000000, 0.0000869700000000 ] - [ 0.0040376000000000, -0.0033176400000000, 0.0021762500000000 ] - [ -0.0004177900000000, 0.0004581300000000, -0.0000688700000000 ] - [ 0.0020439100000000, 0.0030632800000000, 0.0001862000000000 ] - [ 0.0005252000000000, 0.0014746800000000, -0.0002711200000000 ] - [ 0.0005252000000000, 0.0014746800000000, 0.0002711200000000 ] - [ 0.0020439100000000, 0.0030632800000000, -0.0001862000000000 ] - [ 0.0002628200000000, -0.0001640800000000, -0.0000588600000000 ] - [ -0.0004177900000000, 0.0004581300000000, 0.0000688700000000 ] - [ 0.0002628200000000, -0.0001640800000000, 0.0000588600000000 ] - [ -0.0136389700000000, -0.0604661000000000, 0.0000000000000000 ] - [ 0.0002225000000000, 0.0000415800000000, 0.0000000000000000 ] - [ -0.0002228200000000, 0.0004026800000000, 0.0000000000000000 ] - [ 0.0001820800000000, -0.0005429800000000, 0.0000000000000000 ] - [ 0.0000196800000000, 0.0030877200000000, 0.0000000000000000 ] - [ 0.0000736300000000, -0.0001383700000000, 0.0000000000000000 ] - [ -0.0004670500000000, -0.0001935700000000, 0.0000000000000000 ] - [ 0.0003626600000000, 0.0002800300000000, 0.0000000000000000 ] - [ 0.0048504500000000, 0.0096746500000000, 0.0166831700000000 ] - [ 0.0010593500000000, -0.0001027500000000, 0.0001133100000000 ] - [ -0.0011403600000000, 0.0005019600000000, -0.0002058300000000 ] - [ -0.0001133300000000, -0.0009476600000000, 0.0000817100000000 ] - [ 0.0048504500000000, 0.0096746500000000, -0.0166831700000000 ] - [ -0.0001133300000000, -0.0009476600000000, -0.0000817100000000 ] - [ -0.0011403600000000, 0.0005019600000000, 0.0002058300000000 ] - [ 0.0010593500000000, -0.0001027500000000, -0.0001133100000000 ] - [ 0.0012568200000000, -0.0046022400000000, -0.0060479000000000 ] - [ 0.0003029000000000, -0.0005100100000000, -0.0002151600000000 ] - [ -0.0018440500000000, 0.0025296100000000, -0.0017153700000000 ] - [ -0.0003792100000000, -0.0002171000000000, -0.0001207100000000 ] - [ -0.0003792100000000, -0.0002171000000000, 0.0001207100000000 ] - [ -0.0018440500000000, 0.0025296100000000, 0.0017153700000000 ] - [ 0.0003029000000000, -0.0005100100000000, 0.0002151600000000 ] - [ 0.0012568200000000, -0.0046022400000000, 0.0060479000000000 ] - [ -0.0075463600000000, -0.0028007900000000, -0.0087337200000000 ] - [ 0.0002571300000000, 0.0002576400000000, -0.0000373500000000 ] - [ -0.0005046300000000, -0.0005897000000000, -0.0000952300000000 ] - [ -0.0005046300000000, -0.0005897000000000, 0.0000952300000000 ] - [ 0.0002571300000000, 0.0002576400000000, 0.0000373500000000 ] - [ 0.0000124300000000, 0.0005741800000000, 0.0005610100000000 ] - [ -0.0075463600000000, -0.0028007900000000, 0.0087337200000000 ] - [ 0.0000124300000000, 0.0005741800000000, -0.0005610100000000 ] - [ -0.0002144700000000, 0.0002128700000000, 0.0000000000000000 ] - [ 0.0004346900000000, 0.0011439900000000, 0.0000000000000000 ] - [ -0.0004342300000000, -0.0002017100000000, 0.0000000000000000 ] - [ 0.0002519900000000, 0.0007143400000000, 0.0000000000000000 ] - [ -0.0002559600000000, 0.0004121700000000, 0.0000000000000000 ] - [ 0.0001885100000000, 0.0008310600000000, 0.0000000000000000 ] - [ -0.0021929900000000, 0.0005890800000000, 0.0000000000000000 ] - [ 0.0004340800000000, 0.0003690400000000, 0.0000000000000000 ] - [ 0.0000815700000000, 0.0009048200000000, -0.0000652300000000 ] - [ 0.0011138700000000, 0.0002716600000000, -0.0000003600000000 ] - [ -0.0020810900000000, 0.0002611400000000, -0.0003227600000000 ] - [ -0.0000702700000000, 0.0022483500000000, -0.0000143700000000 ] - [ 0.0000815700000000, 0.0009048200000000, 0.0000652300000000 ] - [ -0.0000702700000000, 0.0022483500000000, 0.0000143700000000 ] - [ -0.0020810900000000, 0.0002611400000000, 0.0003227600000000 ] - [ 0.0011138700000000, 0.0002716600000000, 0.0000003600000000 ] - [ 0.0003155800000000, 0.0004470800000000, -0.0002351900000000 ] - [ -0.0002101500000000, 0.0013626500000000, 0.0006006600000000 ] - [ -0.0004669600000000, 0.0004070600000000, -0.0002936600000000 ] - [ 0.0001860900000000, 0.0012141700000000, 0.0009777400000000 ] - [ 0.0001860900000000, 0.0012141700000000, -0.0009777400000000 ] - [ -0.0004669600000000, 0.0004070600000000, 0.0002936600000000 ] - [ -0.0002101500000000, 0.0013626500000000, -0.0006006600000000 ] - [ 0.0003155800000000, 0.0004470800000000, 0.0002351900000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0058990100000000, -0.0359429100000000, -0.0210597800000000 ] - [ 0.0011673000000000, -0.0003413600000000, 0.0001900100000000 ] - [ -0.0011768900000000, 0.0025393400000000, -0.0008964200000000 ] - [ -0.0000093800000000, -0.0012932900000000, -0.0003120500000000 ] - [ -0.0010140900000000, 0.0102410100000000, -0.0013506800000000 ] - [ -0.0001967400000000, -0.0008816200000000, 0.0001784500000000 ] - [ -0.0011720700000000, 0.0001323300000000, -0.0002109900000000 ] - [ 0.0013525200000000, 0.0011861500000000, -0.0019075300000000 ] - [ -0.0001967400000000, -0.0008816200000000, -0.0001784500000000 ] - [ -0.0011768900000000, 0.0025393400000000, 0.0008964200000000 ] - [ 0.0011673000000000, -0.0003413600000000, -0.0001900100000000 ] - [ -0.0010140900000000, 0.0102410100000000, 0.0013506800000000 ] - [ -0.0000093800000000, -0.0012932900000000, 0.0003120500000000 ] - [ -0.0058990100000000, -0.0359429100000000, 0.0210597800000000 ] - [ 0.0013525200000000, 0.0011861500000000, 0.0019075300000000 ] - [ -0.0011720700000000, 0.0001323300000000, 0.0002109900000000 ] - [ -0.0000332500000000, 0.0010844700000000, 0.0000814700000000 ] - [ 0.0018164500000000, 0.0027594400000000, 0.0005842800000000 ] - [ -0.0017127300000000, -0.0001142100000000, -0.0000091000000000 ] - [ 0.0000379700000000, 0.0028021700000000, 0.0000990800000000 ] - [ -0.0002206500000000, 0.0009865500000000, -0.0003673800000000 ] - [ 0.0003094400000000, 0.0026589900000000, 0.0010577400000000 ] - [ -0.0040895000000000, 0.0032752900000000, 0.0017544400000000 ] - [ 0.0010541100000000, 0.0004559800000000, -0.0003007500000000 ] - [ 0.0003094400000000, 0.0026589900000000, -0.0010577400000000 ] - [ -0.0017127300000000, -0.0001142100000000, 0.0000091000000000 ] - [ 0.0018164500000000, 0.0027594400000000, -0.0005842800000000 ] - [ -0.0002206500000000, 0.0009865500000000, 0.0003673800000000 ] - [ 0.0000379700000000, 0.0028021700000000, -0.0000990800000000 ] - [ -0.0000332500000000, 0.0010844700000000, -0.0000814700000000 ] - [ 0.0010541100000000, 0.0004559800000000, 0.0003007500000000 ] - [ -0.0040895000000000, 0.0032752900000000, -0.0017544400000000 ] - [ 0.0003812300000000, -0.0004951300000000, -0.0000704800000000 ] - [ -0.0020845800000000, -0.0030264000000000, -0.0003279100000000 ] - [ -0.0004887100000000, -0.0015123500000000, 0.0001324300000000 ] - [ -0.0004887100000000, -0.0015123500000000, -0.0001324300000000 ] - [ -0.0020845800000000, -0.0030264000000000, 0.0003279100000000 ] - [ -0.0002257800000000, 0.0002028600000000, -0.0000806400000000 ] - [ 0.0003812300000000, -0.0004951300000000, 0.0000704800000000 ] - [ -0.0002257800000000, 0.0002028600000000, 0.0000806400000000 ] - [ 0.0127298400000000, 0.0595281700000000, 0.0000000000000000 ] - [ -0.0004724700000000, 0.0003791200000000, 0.0000000000000000 ] - [ 0.0004720400000000, -0.0008217000000000, 0.0000000000000000 ] - [ 0.0002394000000000, 0.0002966500000000, 0.0000000000000000 ] - [ -0.0004482500000000, -0.0028791000000000, 0.0000000000000000 ] - [ 0.0003465100000000, 0.0003889000000000, 0.0000000000000000 ] - [ 0.0002185800000000, -0.0002248000000000, 0.0000000000000000 ] - [ -0.0001174200000000, 0.0001350800000000, 0.0000000000000000 ] - [ -0.0047466300000000, -0.0097683000000000, -0.0170777900000000 ] - [ -0.0010660200000000, -0.0000823100000000, -0.0002795500000000 ] - [ 0.0011417100000000, -0.0003171700000000, 0.0000391800000000 ] - [ -0.0000694500000000, 0.0009522500000000, 0.0000857900000000 ] - [ -0.0047466300000000, -0.0097683000000000, 0.0170777900000000 ] - [ -0.0000694500000000, 0.0009522500000000, -0.0000857900000000 ] - [ 0.0011417100000000, -0.0003171700000000, -0.0000391800000000 ] - [ -0.0010660200000000, -0.0000823100000000, 0.0002795500000000 ] - [ -0.0012357500000000, 0.0045554100000000, 0.0060542200000000 ] - [ -0.0003148100000000, 0.0005011000000000, 0.0002156000000000 ] - [ 0.0018584700000000, -0.0025189000000000, 0.0017185600000000 ] - [ 0.0003670900000000, 0.0002321600000000, 0.0001205600000000 ] - [ 0.0003670900000000, 0.0002321600000000, -0.0001205600000000 ] - [ 0.0018584700000000, -0.0025189000000000, -0.0017185600000000 ] - [ -0.0003148100000000, 0.0005011000000000, -0.0002156000000000 ] - [ -0.0012357500000000, 0.0045554100000000, -0.0060542200000000 ] - [ 0.0074878100000000, 0.0027012000000000, 0.0085867300000000 ] - [ -0.0002959300000000, -0.0002197600000000, -0.0001011800000000 ] - [ 0.0005437200000000, 0.0005548400000000, -0.0000431000000000 ] - [ 0.0005437200000000, 0.0005548400000000, 0.0000431000000000 ] - [ -0.0002959300000000, -0.0002197600000000, 0.0001011800000000 ] - [ 0.0000256900000000, -0.0005443800000000, -0.0006968300000000 ] - [ 0.0074878100000000, 0.0027012000000000, -0.0085867300000000 ] - [ 0.0000256900000000, -0.0005443800000000, 0.0006968300000000 ] - [ -0.0002047100000000, -0.0004614400000000, 0.0000000000000000 ] - [ -0.0006852600000000, -0.0007245700000000, 0.0000000000000000 ] - [ 0.0006860100000000, -0.0002190700000000, 0.0000000000000000 ] - [ 0.0001676000000000, -0.0009624700000000, 0.0000000000000000 ] - [ -0.0001644400000000, -0.0001617300000000, 0.0000000000000000 ] - [ 0.0002305300000000, -0.0005836500000000, 0.0000000000000000 ] - [ 0.0019247300000000, -0.0010104100000000, 0.0000000000000000 ] - [ -0.0001854000000000, 0.0000526000000000, 0.0000000000000000 ] - [ 0.0001029100000000, -0.0009050200000000, -0.0001009800000000 ] - [ -0.0011166500000000, -0.0004545400000000, -0.0001678600000000 ] - [ 0.0020895400000000, -0.0000782500000000, 0.0001550300000000 ] - [ -0.0001134800000000, -0.0022518700000000, 0.0001827500000000 ] - [ 0.0001029100000000, -0.0009050200000000, 0.0001009800000000 ] - [ -0.0001134800000000, -0.0022518700000000, -0.0001827500000000 ] - [ 0.0020895400000000, -0.0000782500000000, -0.0001550300000000 ] - [ -0.0011166500000000, -0.0004545400000000, 0.0001678600000000 ] - [ -0.0003035400000000, -0.0004587400000000, 0.0002357200000000 ] - [ 0.0001981000000000, -0.0013755600000000, -0.0006028800000000 ] - [ 0.0004834000000000, -0.0003928300000000, 0.0002949700000000 ] - [ -0.0002004500000000, -0.0012123900000000, -0.0009781700000000 ] - [ -0.0002004500000000, -0.0012123900000000, 0.0009781700000000 ] - [ 0.0004834000000000, -0.0003928300000000, -0.0002949700000000 ] - [ 0.0001981000000000, -0.0013755600000000, 0.0006028800000000 ] - [ -0.0003035400000000, -0.0004587400000000, -0.0002357200000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0549418400000000, 0.0217816200000000, 0.2216965500000000 ] - [ -0.0036664400000000, 0.0004453800000000, -0.0019904800000000 ] - [ -0.0012759800000000, 0.0021716900000000, -0.0030743600000000 ] - [ -0.0001703700000000, 0.0004308000000000, 0.0011156200000000 ] - [ -0.0043738100000000, 0.0205344400000000, 0.0098568700000000 ] - [ 0.0000726800000000, -0.0002290300000000, 0.0008130300000000 ] - [ 0.0006709500000000, -0.0000834400000000, -0.0008788100000000 ] - [ 0.0084570800000000, 0.0158683300000000, -0.0171194600000000 ] - [ 0.0000097000000000, 0.0002769800000000, 0.0004319900000000 ] - [ 0.0013247100000000, -0.0022571500000000, -0.0034621500000000 ] - [ 0.0035946500000000, -0.0003610200000000, -0.0023794400000000 ] - [ 0.0042801300000000, -0.0205061100000000, 0.0101992200000000 ] - [ 0.0002471700000000, -0.0004733100000000, 0.0014920700000000 ] - [ -0.0597649100000000, -0.0236717600000000, 0.2364787900000000 ] - [ -0.0084402300000000, -0.0158711400000000, -0.0167512100000000 ] - [ -0.0007158000000000, 0.0000016300000000, -0.0004946000000000 ] - [ -0.0001279400000000, -0.0001305700000000, -0.0002255700000000 ] - [ -0.0017949600000000, -0.0024361400000000, 0.0020226500000000 ] - [ -0.0029734200000000, 0.0007158900000000, 0.0019708200000000 ] - [ -0.0003499400000000, 0.0005270100000000, -0.0017064200000000 ] - [ 0.0001099500000000, 0.0005620400000000, -0.0011674100000000 ] - [ 0.0012133600000000, -0.0037105900000000, -0.0046172900000000 ] - [ 0.0107322700000000, -0.0170141900000000, 0.0096297700000000 ] - [ 0.0005974300000000, 0.0002997700000000, 0.0003648500000000 ] - [ -0.0011055900000000, 0.0037432700000000, -0.0050094300000000 ] - [ 0.0030117800000000, -0.0007961600000000, 0.0015901500000000 ] - [ 0.0017447200000000, 0.0025125000000000, 0.0016432900000000 ] - [ -0.0001984500000000, -0.0005189200000000, -0.0007825800000000 ] - [ 0.0004327400000000, -0.0005794500000000, -0.0013218200000000 ] - [ 0.0000451400000000, 0.0000813400000000, -0.0006084500000000 ] - [ -0.0005531400000000, -0.0002186600000000, 0.0007461900000000 ] - [ -0.0108016500000000, 0.0169450800000000, 0.0099736800000000 ] - [ 0.0001407800000000, -0.0000849500000000, 0.0000594000000000 ] - [ 0.0021356400000000, 0.0048327200000000, -0.0014116300000000 ] - [ -0.0000784600000000, -0.0006038100000000, 0.0005561800000000 ] - [ 0.0001226900000000, 0.0005633600000000, 0.0007042900000000 ] - [ -0.0021774000000000, -0.0047903900000000, -0.0012690100000000 ] - [ 0.0001206600000000, 0.0001030000000000, -0.0002309700000000 ] - [ -0.0001844400000000, 0.0000429100000000, 0.0002069900000000 ] - [ -0.0000764300000000, -0.0000595000000000, -0.0000841300000000 ] - [ 0.0046758600000000, 0.0017710400000000, -0.5865459100000000 ] - [ -0.0001203100000000, 0.0002084700000000, 0.0025149100000000 ] - [ 0.0001239900000000, -0.0002088100000000, 0.0025151700000000 ] - [ 0.0002084000000000, -0.0001244900000000, -0.0012070800000000 ] - [ -0.0002025100000000, 0.0001342100000000, -0.0100719100000000 ] - [ 0.0002086700000000, 0.0001242800000000, -0.0006283500000000 ] - [ -0.0001243500000000, -0.0002089900000000, 0.0007382000000000 ] - [ 0.0001281900000000, 0.0002206100000000, 0.0156323800000000 ] - [ 0.0066840400000000, 0.0281249200000000, 0.0130057200000000 ] - [ 0.0045534900000000, 0.0015656300000000, 0.0021927300000000 ] - [ 0.0008973100000000, -0.0002364000000000, 0.0004377700000000 ] - [ -0.0000780500000000, -0.0002783600000000, -0.0001728200000000 ] - [ -0.0066157500000000, -0.0283048200000000, 0.0132301100000000 ] - [ -0.0001018700000000, 0.0002764300000000, -0.0003444900000000 ] - [ -0.0008990100000000, 0.0004177800000000, 0.0006113300000000 ] - [ -0.0045194600000000, -0.0017325700000000, 0.0023705700000000 ] - [ -0.0131865400000000, -0.0140008600000000, 0.0357002500000000 ] - [ 0.0009043500000000, -0.0002639100000000, -0.0001556500000000 ] - [ 0.0025555900000000, -0.0043838300000000, 0.0012213300000000 ] - [ -0.0002126200000000, 0.0001106200000000, -0.0000066100000000 ] - [ 0.0002020900000000, -0.0001000000000000, -0.0000075000000000 ] - [ -0.0025458300000000, 0.0043979900000000, 0.0012281500000000 ] - [ -0.0009080800000000, 0.0002480400000000, -0.0001485500000000 ] - [ 0.0133855400000000, 0.0141018300000000, 0.0362782700000000 ] - [ 0.0235641300000000, -0.0152906000000000, 0.0125617800000000 ] - [ 0.0008023700000000, 0.0004564600000000, 0.0002818300000000 ] - [ 0.0005838900000000, 0.0001551000000000, -0.0004633700000000 ] - [ -0.0005373500000000, -0.0001981600000000, -0.0003178200000000 ] - [ -0.0008375400000000, -0.0004079900000000, 0.0004302600000000 ] - [ -0.0009746500000000, 0.0046029400000000, 0.0028524800000000 ] - [ -0.0237968100000000, 0.0152828100000000, 0.0127412400000000 ] - [ 0.0009991900000000, -0.0045210400000000, 0.0030047200000000 ] - [ -0.0002088200000000, -0.0001237600000000, 0.0004324300000000 ] - [ -0.0001235000000000, 0.0002093800000000, -0.0022630500000000 ] - [ 0.0001253900000000, -0.0002086200000000, -0.0022634400000000 ] - [ 0.0002088600000000, -0.0001231000000000, 0.0015920100000000 ] - [ -0.0002078000000000, 0.0001251000000000, 0.0009276300000000 ] - [ 0.0002052500000000, 0.0001262800000000, 0.0043468800000000 ] - [ -0.0001131000000000, -0.0002117300000000, -0.0098093500000000 ] - [ 0.0001247100000000, 0.0002091800000000, -0.0006303400000000 ] - [ 0.0001164400000000, 0.0002546700000000, 0.0000901000000000 ] - [ 0.0008085200000000, 0.0002691200000000, -0.0003794700000000 ] - [ 0.0048621000000000, -0.0017951700000000, -0.0014088200000000 ] - [ 0.0000428900000000, -0.0014659100000000, 0.0007892500000000 ] - [ 0.0000654600000000, -0.0002516200000000, 0.0002631900000000 ] - [ -0.0002266900000000, 0.0014745400000000, 0.0006142100000000 ] - [ -0.0048611200000000, 0.0019775700000000, -0.0012404500000000 ] - [ -0.0008066200000000, -0.0004485100000000, -0.0002065300000000 ] - [ -0.0001136600000000, -0.0000577800000000, 0.0000335300000000 ] - [ 0.0001905900000000, 0.0004972400000000, 0.0001417600000000 ] - [ 0.0006751500000000, -0.0004857800000000, 0.0002216200000000 ] - [ -0.0002414300000000, 0.0041893000000000, 0.0009493700000000 ] - [ 0.0002223500000000, -0.0041812100000000, 0.0009594000000000 ] - [ -0.0006611200000000, 0.0004953700000000, 0.0002193600000000 ] - [ -0.0002024800000000, -0.0005050900000000, 0.0001399500000000 ] - [ 0.0001255200000000, 0.0000487100000000, 0.0000344200000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0371486000000000, 0.0420836700000000, 0.0096434600000000 ] - [ -0.0007549900000000, -0.0001302700000000, 0.0005600000000000 ] - [ 0.0001605200000000, 0.0007894800000000, 0.0010189200000000 ] - [ -0.0008906100000000, -0.0000409500000000, -0.0001542400000000 ] - [ 0.0028439300000000, -0.0011533200000000, -0.0027641800000000 ] - [ -0.0015800900000000, 0.0000518000000000, 0.0000377300000000 ] - [ -0.0019130500000000, 0.0000904900000000, -0.0000276100000000 ] - [ -0.0012957400000000, -0.0046490800000000, 0.0040644000000000 ] - [ -0.0008906100000000, 0.0000409500000000, -0.0001542400000000 ] - [ -0.0012957400000000, 0.0046490800000000, 0.0040644000000000 ] - [ -0.0019130500000000, -0.0000904900000000, -0.0000276100000000 ] - [ 0.0371486000000000, -0.0420836700000000, 0.0096434600000000 ] - [ -0.0015800900000000, -0.0000518000000000, 0.0000377300000000 ] - [ 0.0028439300000000, 0.0011533200000000, -0.0027641800000000 ] - [ 0.0001605200000000, -0.0007894800000000, 0.0010189200000000 ] - [ -0.0007549900000000, 0.0001302700000000, 0.0005600000000000 ] - [ -0.0006753300000000, 0.0000402600000000, 0.0002735900000000 ] - [ -0.0029556800000000, -0.0048785700000000, 0.0015972900000000 ] - [ -0.0018060600000000, 0.0004388600000000, 0.0003388600000000 ] - [ 0.0031461800000000, 0.0000897200000000, -0.0010972900000000 ] - [ -0.0010236700000000, -0.0000686400000000, -0.0003988300000000 ] - [ 0.0010334800000000, -0.0001450600000000, 0.0002494100000000 ] - [ 0.0007584600000000, -0.0004586200000000, 0.0014017900000000 ] - [ -0.0006019700000000, -0.0000488200000000, 0.0002334800000000 ] - [ 0.0031461800000000, -0.0000897200000000, -0.0010972900000000 ] - [ -0.0006019700000000, 0.0000488200000000, 0.0002334800000000 ] - [ 0.0007584600000000, 0.0004586200000000, 0.0014017900000000 ] - [ -0.0006753300000000, -0.0000402600000000, 0.0002735900000000 ] - [ 0.0010334800000000, 0.0001450600000000, 0.0002494100000000 ] - [ -0.0010236700000000, 0.0000686400000000, -0.0003988300000000 ] - [ -0.0018060600000000, -0.0004388600000000, 0.0003388600000000 ] - [ -0.0029556800000000, 0.0048785700000000, 0.0015972900000000 ] - [ 0.0004147500000000, -0.0002836900000000, -0.0001339300000000 ] - [ 0.0012444400000000, 0.0163847700000000, -0.0011527900000000 ] - [ -0.0005880000000000, -0.0005808600000000, -0.0002042300000000 ] - [ -0.0018620900000000, -0.0026204300000000, -0.0004092300000000 ] - [ -0.0016623300000000, -0.0005401000000000, 0.0003558400000000 ] - [ 0.0009876100000000, -0.0002134700000000, -0.0000834200000000 ] - [ 0.0007852500000000, -0.0004596000000000, 0.0001020600000000 ] - [ 0.0005151200000000, -0.0001524600000000, 0.0000132000000000 ] - [ -0.0061151100000000, 0.0046743000000000, 0.0066559300000000 ] - [ 0.0002852000000000, 0.0002631000000000, -0.0003286300000000 ] - [ 0.0001169200000000, -0.0007964100000000, -0.0016530700000000 ] - [ 0.0006458500000000, -0.0001032800000000, 0.0000128500000000 ] - [ -0.0061151100000000, -0.0046743000000000, 0.0066559300000000 ] - [ 0.0006458500000000, 0.0001032800000000, 0.0000128500000000 ] - [ 0.0002852000000000, -0.0002631000000000, -0.0003286300000000 ] - [ 0.0001169200000000, 0.0007964100000000, -0.0016530700000000 ] - [ -0.0682350800000000, 0.0000000000000000, -0.0218865900000000 ] - [ 0.0004028700000000, 0.0000423600000000, -0.0002437500000000 ] - [ 0.0004028700000000, -0.0000423600000000, -0.0002437500000000 ] - [ 0.0002158000000000, 0.0000000000000000, 0.0000868200000000 ] - [ -0.0010474100000000, 0.0000000000000000, 0.0004935300000000 ] - [ 0.0004280800000000, 0.0000000000000000, -0.0000685600000000 ] - [ 0.0018451800000000, -0.0005898700000000, -0.0004671600000000 ] - [ 0.0018451800000000, 0.0005898700000000, -0.0004671600000000 ] - [ 0.0033704100000000, 0.0164764000000000, -0.0056617400000000 ] - [ 0.0004304900000000, -0.0001083600000000, -0.0002036800000000 ] - [ -0.0002123800000000, -0.0000701400000000, 0.0003128900000000 ] - [ 0.0008911200000000, 0.0001537700000000, 0.0002891100000000 ] - [ 0.0004304900000000, 0.0001083600000000, -0.0002036800000000 ] - [ 0.0033704100000000, -0.0164764000000000, -0.0056617400000000 ] - [ 0.0008911200000000, -0.0001537700000000, 0.0002891100000000 ] - [ -0.0002123800000000, 0.0000701400000000, 0.0003128900000000 ] - [ 0.0012444400000000, -0.0163847700000000, -0.0011527900000000 ] - [ 0.0004147500000000, 0.0002836900000000, -0.0001339300000000 ] - [ 0.0009876100000000, 0.0002134700000000, -0.0000834200000000 ] - [ 0.0005151200000000, 0.0001524600000000, 0.0000132000000000 ] - [ 0.0007852500000000, 0.0004596000000000, 0.0001020600000000 ] - [ -0.0005880000000000, 0.0005808600000000, -0.0002042300000000 ] - [ -0.0016623300000000, 0.0005401000000000, 0.0003558400000000 ] - [ -0.0018620900000000, 0.0026204300000000, -0.0004092300000000 ] - [ 0.0000407700000000, -0.0001368400000000, 0.0000266100000000 ] - [ 0.0000471300000000, 0.0009335100000000, -0.0018882500000000 ] - [ 0.0004912200000000, -0.0002790900000000, -0.0003600000000000 ] - [ -0.0003523100000000, -0.0001468800000000, 0.0001345200000000 ] - [ 0.0000407700000000, 0.0001368400000000, 0.0000266100000000 ] - [ -0.0003523100000000, 0.0001468800000000, 0.0001345200000000 ] - [ 0.0000471300000000, -0.0009335100000000, -0.0018882500000000 ] - [ 0.0004912200000000, 0.0002790900000000, -0.0003600000000000 ] - [ 0.0002636300000000, 0.0000000000000000, -0.0000995100000000 ] - [ 0.0015304500000000, 0.0006790600000000, -0.0002545700000000 ] - [ 0.0015304500000000, -0.0006790600000000, -0.0002545700000000 ] - [ -0.0008947600000000, 0.0000000000000000, 0.0003033400000000 ] - [ 0.0003618900000000, 0.0000000000000000, 0.0001329900000000 ] - [ -0.0003412300000000, 0.0000000000000000, -0.0000860100000000 ] - [ 0.0001173900000000, 0.0000424700000000, -0.0001662700000000 ] - [ 0.0001173900000000, -0.0000424700000000, -0.0001662700000000 ] - [ 0.0003341300000000, 0.0001453500000000, -0.0002175600000000 ] - [ -0.0008914500000000, 0.0022086900000000, 0.0012044500000000 ] - [ 0.0006970700000000, -0.0003304200000000, 0.0003324900000000 ] - [ -0.0004791600000000, -0.0001527900000000, -0.0004264800000000 ] - [ -0.0008914500000000, -0.0022086900000000, 0.0012044500000000 ] - [ 0.0003341300000000, -0.0001453500000000, -0.0002175600000000 ] - [ -0.0004791600000000, 0.0001527900000000, -0.0004264800000000 ] - [ 0.0006970700000000, 0.0003304200000000, 0.0003324900000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0378720900000000, -0.0426801100000000, -0.0094009800000000 ] - [ 0.0007164700000000, 0.0002169100000000, -0.0001730100000000 ] - [ -0.0001137000000000, -0.0008812800000000, -0.0006249400000000 ] - [ 0.0009785000000000, 0.0000005800000000, -0.0002340900000000 ] - [ -0.0029467300000000, 0.0012022600000000, 0.0024110100000000 ] - [ 0.0016679100000000, -0.0000070400000000, 0.0003492400000000 ] - [ 0.0018708200000000, -0.0001748500000000, -0.0003582200000000 ] - [ 0.0013367700000000, 0.0047411800000000, -0.0044531100000000 ] - [ 0.0009785000000000, -0.0000005800000000, -0.0002340900000000 ] - [ 0.0013367700000000, -0.0047411800000000, -0.0044531100000000 ] - [ 0.0018708200000000, 0.0001748500000000, -0.0003582200000000 ] - [ -0.0378720900000000, 0.0426801100000000, -0.0094009800000000 ] - [ 0.0016679100000000, 0.0000070400000000, 0.0003492400000000 ] - [ -0.0029467300000000, -0.0012022600000000, 0.0024110100000000 ] - [ -0.0001137000000000, 0.0008812800000000, -0.0006249400000000 ] - [ 0.0007164700000000, -0.0002169100000000, -0.0001730100000000 ] - [ 0.0005851900000000, -0.0000817300000000, 0.0001148000000000 ] - [ 0.0028909900000000, 0.0049482300000000, -0.0012071400000000 ] - [ 0.0018453700000000, -0.0005288900000000, 0.0000481300000000 ] - [ -0.0030502000000000, -0.0001297500000000, 0.0007083000000000 ] - [ 0.0009368200000000, 0.0001122100000000, 0.0000118900000000 ] - [ -0.0009453400000000, 0.0001863500000000, 0.0001387400000000 ] - [ -0.0008054600000000, 0.0003725300000000, -0.0017845100000000 ] - [ 0.0006422400000000, 0.0001408200000000, -0.0006215200000000 ] - [ -0.0030502000000000, 0.0001297500000000, 0.0007083000000000 ] - [ 0.0006422400000000, -0.0001408200000000, -0.0006215200000000 ] - [ -0.0008054600000000, -0.0003725300000000, -0.0017845100000000 ] - [ 0.0005851900000000, 0.0000817300000000, 0.0001148000000000 ] - [ -0.0009453400000000, -0.0001863500000000, 0.0001387400000000 ] - [ 0.0009368200000000, -0.0001122100000000, 0.0000118900000000 ] - [ 0.0018453700000000, 0.0005288900000000, 0.0000481300000000 ] - [ 0.0028909900000000, -0.0049482300000000, -0.0012071400000000 ] - [ -0.0004552300000000, 0.0002444600000000, -0.0000094300000000 ] - [ -0.0012769400000000, -0.0164010500000000, 0.0009949900000000 ] - [ 0.0006280300000000, 0.0005417300000000, 0.0000605800000000 ] - [ 0.0018977900000000, 0.0025707600000000, 0.0005511100000000 ] - [ 0.0016276600000000, 0.0005815300000000, -0.0002150600000000 ] - [ -0.0009454000000000, 0.0002507300000000, -0.0000584400000000 ] - [ -0.0008231900000000, 0.0004173100000000, 0.0000406000000000 ] - [ -0.0004744300000000, 0.0001917600000000, 0.0001303800000000 ] - [ 0.0056673500000000, -0.0049190500000000, -0.0066427300000000 ] - [ -0.0005338200000000, 0.0001557300000000, 0.0003270700000000 ] - [ 0.0001323900000000, 0.0003775000000000, 0.0016445000000000 ] - [ -0.0002263800000000, -0.0001448300000000, -0.0000120000000000 ] - [ 0.0056673500000000, 0.0049190500000000, -0.0066427300000000 ] - [ -0.0002263800000000, 0.0001448300000000, -0.0000120000000000 ] - [ -0.0005338200000000, -0.0001557300000000, 0.0003270700000000 ] - [ 0.0001323900000000, -0.0003775000000000, 0.0016445000000000 ] - [ 0.0696449200000000, 0.0000000000000000, 0.0220753400000000 ] - [ -0.0004039700000000, -0.0002256600000000, 0.0000730900000000 ] - [ -0.0004039700000000, 0.0002256600000000, 0.0000730900000000 ] - [ -0.0003984400000000, 0.0000000000000000, 0.0000863200000000 ] - [ 0.0012347900000000, 0.0000000000000000, -0.0003308100000000 ] - [ -0.0006022600000000, 0.0000000000000000, -0.0000984100000000 ] - [ -0.0018444100000000, 0.0007710300000000, 0.0006364700000000 ] - [ -0.0018444100000000, -0.0007710300000000, 0.0006364700000000 ] - [ -0.0033173400000000, -0.0163200600000000, 0.0056083700000000 ] - [ -0.0004411500000000, 0.0000994100000000, 0.0002035600000000 ] - [ 0.0002215500000000, 0.0000844800000000, -0.0003215000000000 ] - [ -0.0009022700000000, -0.0001417000000000, -0.0002898300000000 ] - [ -0.0004411500000000, -0.0000994100000000, 0.0002035600000000 ] - [ -0.0033173400000000, 0.0163200600000000, 0.0056083700000000 ] - [ -0.0009022700000000, 0.0001417000000000, -0.0002898300000000 ] - [ 0.0002215500000000, -0.0000844800000000, -0.0003215000000000 ] - [ -0.0012769400000000, 0.0164010500000000, 0.0009949900000000 ] - [ -0.0004552300000000, -0.0002444600000000, -0.0000094300000000 ] - [ -0.0009454000000000, -0.0002507300000000, -0.0000584400000000 ] - [ -0.0004744300000000, -0.0001917600000000, 0.0001303800000000 ] - [ -0.0008231900000000, -0.0004173100000000, 0.0000406000000000 ] - [ 0.0006280300000000, -0.0005417300000000, 0.0000605800000000 ] - [ 0.0016276600000000, -0.0005815300000000, -0.0002150600000000 ] - [ 0.0018977900000000, -0.0025707600000000, 0.0005511100000000 ] - [ -0.0004585600000000, -0.0001131200000000, -0.0000242900000000 ] - [ -0.0002931200000000, -0.0005137000000000, 0.0018860200000000 ] - [ -0.0002402100000000, -0.0001391100000000, 0.0003577200000000 ] - [ 0.0007706900000000, -0.0001017700000000, -0.0001358400000000 ] - [ -0.0004585600000000, 0.0001131200000000, -0.0000242900000000 ] - [ 0.0007706900000000, 0.0001017700000000, -0.0001358400000000 ] - [ -0.0002931200000000, 0.0005137000000000, 0.0018860200000000 ] - [ -0.0002402100000000, 0.0001391100000000, 0.0003577200000000 ] - [ -0.0000804800000000, 0.0000000000000000, -0.0000720300000000 ] - [ -0.0015234300000000, -0.0008607100000000, 0.0000850200000000 ] - [ -0.0015234300000000, 0.0008607100000000, 0.0000850200000000 ] - [ 0.0007095100000000, 0.0000000000000000, -0.0001307500000000 ] - [ -0.0001767300000000, 0.0000000000000000, 0.0000332600000000 ] - [ 0.0001598600000000, 0.0000000000000000, -0.0000816700000000 ] - [ -0.0001134000000000, 0.0001409000000000, 0.0003353600000000 ] - [ -0.0001134000000000, -0.0001409000000000, 0.0003353600000000 ] - [ -0.0003205900000000, -0.0001570200000000, 0.0002183200000000 ] - [ 0.0008798700000000, -0.0022158900000000, -0.0012028400000000 ] - [ -0.0006836700000000, 0.0003427100000000, -0.0003314000000000 ] - [ 0.0004690200000000, 0.0001633800000000, 0.0004249900000000 ] - [ 0.0008798700000000, 0.0022158900000000, -0.0012028400000000 ] - [ -0.0003205900000000, 0.0001570200000000, 0.0002183200000000 ] - [ 0.0004690200000000, -0.0001633800000000, 0.0004249900000000 ] - [ -0.0006836700000000, -0.0003427100000000, -0.0003314000000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0446125500000000, 0.2525915000000000, 0.0493323600000000 ] - [ -0.0024182300000000, 0.0000965800000000, 0.0010939200000000 ] - [ 0.0017421600000000, -0.0027562300000000, -0.0017770000000000 ] - [ -0.0002903600000000, 0.0027290500000000, -0.0002258200000000 ] - [ -0.0053495600000000, 0.0116608300000000, 0.0179157100000000 ] - [ 0.0004669100000000, 0.0034618500000000, 0.0008041900000000 ] - [ 0.0053351900000000, 0.0006191200000000, -0.0006986500000000 ] - [ -0.0068039900000000, -0.0121720000000000, 0.0115561000000000 ] - [ 0.0003747400000000, 0.0027714500000000, -0.0001578900000000 ] - [ 0.0068444100000000, -0.0122513100000000, -0.0119185600000000 ] - [ -0.0053867500000000, 0.0007076600000000, 0.0003165100000000 ] - [ -0.0412070700000000, 0.2367682600000000, -0.0451547600000000 ] - [ -0.0003816600000000, 0.0034196700000000, -0.0004227000000000 ] - [ 0.0052602800000000, 0.0116420300000000, -0.0182400800000000 ] - [ -0.0016902400000000, -0.0026549600000000, 0.0021752700000000 ] - [ 0.0023765900000000, 0.0000109600000000, -0.0007081500000000 ] - [ -0.0002020600000000, -0.0026811700000000, 0.0002629000000000 ] - [ -0.0123170800000000, -0.0147311000000000, 0.0030321500000000 ] - [ 0.0049411000000000, -0.0008447400000000, -0.0001284300000000 ] - [ 0.0002406600000000, -0.0100377000000000, -0.0031809200000000 ] - [ 0.0000629800000000, -0.0032922500000000, 0.0004539900000000 ] - [ -0.0002967100000000, -0.0056361000000000, 0.0007296200000000 ] - [ 0.0026106800000000, -0.0019574700000000, -0.0047679800000000 ] - [ -0.0024074500000000, -0.0002201000000000, 0.0007750800000000 ] - [ -0.0001696400000000, -0.0099981400000000, 0.0028127200000000 ] - [ 0.0024548700000000, -0.0002985900000000, -0.0011633400000000 ] - [ -0.0026666400000000, -0.0019023000000000, 0.0043621500000000 ] - [ 0.0001209300000000, -0.0026337500000000, 0.0001224000000000 ] - [ 0.0003738600000000, -0.0056866100000000, -0.0003377200000000 ] - [ -0.0001418800000000, -0.0033398500000000, -0.0008350600000000 ] - [ -0.0048789100000000, -0.0007667400000000, 0.0005080400000000 ] - [ 0.0123030500000000, -0.0148447900000000, -0.0026672900000000 ] - [ -0.0008317000000000, 0.0009343500000000, 0.0000431400000000 ] - [ 0.0179814200000000, 0.0347717500000000, -0.0031010200000000 ] - [ 0.0007487300000000, 0.0021640600000000, 0.0002227600000000 ] - [ 0.0017988800000000, 0.0063020200000000, 0.0020303900000000 ] - [ 0.0022119800000000, 0.0001014100000000, -0.0029352300000000 ] - [ 0.0012749100000000, -0.0011182500000000, -0.0001640900000000 ] - [ -0.0015245700000000, 0.0013088400000000, 0.0001656000000000 ] - [ 0.0007712700000000, -0.0008542800000000, -0.0000674300000000 ] - [ 0.0041733700000000, 0.0095743400000000, 0.0282544700000000 ] - [ 0.0010165700000000, -0.0000328400000000, -0.0009004000000000 ] - [ -0.0009377900000000, 0.0010476200000000, 0.0045269500000000 ] - [ 0.0003673300000000, -0.0010741200000000, 0.0002783500000000 ] - [ -0.0045264700000000, 0.0098709300000000, -0.0281760100000000 ] - [ 0.0000518700000000, -0.0008238000000000, -0.0002783600000000 ] - [ -0.0012650600000000, -0.0004507900000000, 0.0008974100000000 ] - [ 0.0011875100000000, 0.0014625700000000, -0.0045470800000000 ] - [ -0.0034968700000000, -0.6163274399999999, -0.0039912500000000 ] - [ 0.0021077900000000, 0.0003128500000000, -0.0005593700000000 ] - [ -0.0021104800000000, 0.0004937900000000, 0.0003824300000000 ] - [ -0.0000893400000000, -0.0024521600000000, 0.0000882500000000 ] - [ 0.0000861400000000, -0.0119928400000000, 0.0000793900000000 ] - [ -0.0000882200000000, -0.0029947200000000, -0.0000857700000000 ] - [ -0.0064548900000000, 0.0019303900000000, 0.0016269000000000 ] - [ 0.0064729000000000, 0.0017579300000000, -0.0014586800000000 ] - [ 0.0198584500000000, 0.0265199300000000, -0.0120050300000000 ] - [ 0.0007863800000000, -0.0009174400000000, -0.0005261900000000 ] - [ -0.0009220800000000, -0.0004115400000000, -0.0032689700000000 ] - [ -0.0014431900000000, -0.0012855000000000, -0.0006831500000000 ] - [ -0.0007997200000000, -0.0009037600000000, 0.0005244900000000 ] - [ -0.0195960800000000, 0.0263378300000000, 0.0119584100000000 ] - [ 0.0014311300000000, -0.0013020200000000, 0.0006837100000000 ] - [ 0.0009285700000000, -0.0004371300000000, 0.0032572800000000 ] - [ -0.0182584100000000, 0.0352318500000000, 0.0030021900000000 ] - [ 0.0007872100000000, 0.0009740700000000, -0.0001895100000000 ] - [ -0.0012366400000000, -0.0011654700000000, 0.0000196000000000 ] - [ -0.0007304500000000, -0.0009000300000000, 0.0002134400000000 ] - [ 0.0014831000000000, 0.0013501800000000, -0.0000213500000000 ] - [ -0.0007020200000000, 0.0021990100000000, -0.0003712600000000 ] - [ -0.0022390300000000, 0.0000391200000000, 0.0030778100000000 ] - [ -0.0017522000000000, 0.0063466600000000, -0.0018886700000000 ] - [ -0.0001901200000000, 0.0007814800000000, 0.0002536500000000 ] - [ 0.0019578500000000, 0.0030958600000000, -0.0048423700000000 ] - [ -0.0009913500000000, 0.0000559300000000, 0.0008097300000000 ] - [ 0.0003594000000000, 0.0021267600000000, 0.0014648800000000 ] - [ -0.0002308200000000, 0.0010308700000000, -0.0002541600000000 ] - [ 0.0000625000000000, 0.0023751600000000, -0.0014769800000000 ] - [ -0.0022125400000000, 0.0026870400000000, 0.0048818100000000 ] - [ 0.0012384800000000, 0.0004774500000000, -0.0008065700000000 ] - [ 0.0000894000000000, 0.0023435800000000, -0.0000883100000000 ] - [ 0.0062475600000000, 0.0014352100000000, -0.0001979000000000 ] - [ -0.0062775800000000, 0.0016168900000000, 0.0000247700000000 ] - [ -0.0000873000000000, 0.0080907800000000, 0.0000869000000000 ] - [ 0.0000887900000000, 0.0028598600000000, 0.0000852100000000 ] - [ -0.0000878100000000, 0.0049796100000000, -0.0000870700000000 ] - [ -0.0023203600000000, 0.0002013000000000, 0.0008504900000000 ] - [ 0.0023210800000000, 0.0000279000000000, -0.0006730500000000 ] - [ 0.0007474500000000, 0.0009476100000000, -0.0005921700000000 ] - [ -0.0003691100000000, 0.0068422000000000, 0.0027533400000000 ] - [ -0.0012934700000000, 0.0014052800000000, -0.0007756300000000 ] - [ 0.0005035800000000, 0.0020151400000000, 0.0013510300000000 ] - [ 0.0003574300000000, 0.0068861700000000, -0.0027674300000000 ] - [ -0.0007345300000000, 0.0009591400000000, 0.0005928100000000 ] - [ -0.0005142900000000, 0.0020070900000000, -0.0013506200000000 ] - [ 0.0013026900000000, 0.0013912500000000, 0.0007747400000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0096905600000000, 0.0494081300000000, 0.0411780200000000 ] - [ -0.0003837200000000, 0.0001061400000000, -0.0004373600000000 ] - [ -0.0009213300000000, 0.0013554300000000, -0.0032213700000000 ] - [ 0.0000239700000000, -0.0000063300000000, -0.0000811500000000 ] - [ 0.0025176700000000, 0.0007496900000000, -0.0114231100000000 ] - [ 0.0001459500000000, 0.0000379300000000, 0.0006514000000000 ] - [ 0.0010799800000000, 0.0000487400000000, -0.0004365300000000 ] - [ 0.0013899700000000, 0.0037304000000000, -0.0036853600000000 ] - [ 0.0000239700000000, 0.0000063300000000, -0.0000811500000000 ] - [ 0.0013899700000000, -0.0037304000000000, -0.0036853600000000 ] - [ 0.0010799800000000, -0.0000487400000000, -0.0004365300000000 ] - [ 0.0096905600000000, -0.0494081300000000, 0.0411780200000000 ] - [ 0.0001459500000000, -0.0000379300000000, 0.0006514000000000 ] - [ 0.0025176700000000, -0.0007496900000000, -0.0114231100000000 ] - [ -0.0009213300000000, -0.0013554300000000, -0.0032213700000000 ] - [ -0.0003837200000000, -0.0001061400000000, -0.0004373600000000 ] - [ 0.0000116800000000, 0.0000068600000000, -0.0000401800000000 ] - [ -0.0001068600000000, -0.0004884500000000, 0.0011532200000000 ] - [ -0.0000225300000000, 0.0000874600000000, 0.0005645400000000 ] - [ -0.0008784100000000, -0.0005345300000000, -0.0004751100000000 ] - [ 0.0001639800000000, 0.0001250700000000, -0.0003048400000000 ] - [ 0.0000612400000000, -0.0002535400000000, -0.0008148700000000 ] - [ 0.0017077500000000, -0.0022927700000000, 0.0002365100000000 ] - [ 0.0005926500000000, 0.0001773800000000, -0.0000438800000000 ] - [ -0.0008784100000000, 0.0005345300000000, -0.0004751100000000 ] - [ 0.0005926500000000, -0.0001773800000000, -0.0000438800000000 ] - [ 0.0017077500000000, 0.0022927700000000, 0.0002365100000000 ] - [ 0.0000116800000000, -0.0000068600000000, -0.0000401800000000 ] - [ 0.0000612400000000, 0.0002535400000000, -0.0008148700000000 ] - [ 0.0001639800000000, -0.0001250700000000, -0.0003048400000000 ] - [ -0.0000225300000000, -0.0000874600000000, 0.0005645400000000 ] - [ -0.0001068600000000, 0.0004884500000000, 0.0011532200000000 ] - [ 0.0000258800000000, -0.0000333500000000, 0.0000377600000000 ] - [ 0.0013659500000000, 0.0027199500000000, -0.0052576100000000 ] - [ 0.0000423900000000, -0.0004022900000000, 0.0005882400000000 ] - [ 0.0007450000000000, 0.0014128300000000, 0.0005019500000000 ] - [ -0.0023383800000000, -0.0019148100000000, 0.0014656600000000 ] - [ -0.0000129200000000, 0.0000868000000000, -0.0002093200000000 ] - [ -0.0003399000000000, 0.0001455000000000, 0.0000989400000000 ] - [ -0.0001061300000000, 0.0000570200000000, 0.0000610200000000 ] - [ 0.0037336500000000, 0.0168902000000000, 0.0132020000000000 ] - [ -0.0002470300000000, 0.0001801100000000, 0.0005277600000000 ] - [ -0.0000719700000000, 0.0002684500000000, 0.0022877200000000 ] - [ 0.0002514400000000, -0.0001220200000000, -0.0002604500000000 ] - [ 0.0037336500000000, -0.0168902000000000, 0.0132020000000000 ] - [ 0.0002514400000000, 0.0001220200000000, -0.0002604500000000 ] - [ -0.0002470300000000, -0.0001801100000000, 0.0005277600000000 ] - [ -0.0000719700000000, -0.0002684500000000, 0.0022877200000000 ] - [ -0.0218682900000000, 0.0000000000000000, -0.0786256800000000 ] - [ 0.0004736000000000, 0.0000679700000000, 0.0004696400000000 ] - [ 0.0004736000000000, -0.0000679700000000, 0.0004696400000000 ] - [ -0.0000920900000000, 0.0000000000000000, 0.0000714500000000 ] - [ -0.0003186800000000, 0.0000000000000000, 0.0027981900000000 ] - [ -0.0001054300000000, 0.0000000000000000, -0.0002221100000000 ] - [ -0.0015488400000000, 0.0006441600000000, 0.0005818800000000 ] - [ -0.0015488400000000, -0.0006441600000000, 0.0005818800000000 ] - [ -0.0064648300000000, -0.0114845300000000, -0.0017591800000000 ] - [ 0.0000843800000000, 0.0000323300000000, 0.0001125100000000 ] - [ 0.0015840500000000, -0.0015039800000000, 0.0035741200000000 ] - [ -0.0002889500000000, -0.0000909100000000, -0.0001809100000000 ] - [ 0.0000843800000000, -0.0000323300000000, 0.0001125100000000 ] - [ -0.0064648300000000, 0.0114845300000000, -0.0017591800000000 ] - [ -0.0002889500000000, 0.0000909100000000, -0.0001809100000000 ] - [ 0.0015840500000000, 0.0015039800000000, 0.0035741200000000 ] - [ 0.0013659500000000, -0.0027199500000000, -0.0052576100000000 ] - [ 0.0000258800000000, 0.0000333500000000, 0.0000377600000000 ] - [ -0.0000129200000000, -0.0000868000000000, -0.0002093200000000 ] - [ -0.0001061300000000, -0.0000570200000000, 0.0000610200000000 ] - [ -0.0003399000000000, -0.0001455000000000, 0.0000989400000000 ] - [ 0.0000423900000000, 0.0004022900000000, 0.0005882400000000 ] - [ -0.0023383800000000, 0.0019148100000000, 0.0014656600000000 ] - [ 0.0007450000000000, -0.0014128300000000, 0.0005019500000000 ] - [ -0.0002402800000000, -0.0001062900000000, 0.0001796700000000 ] - [ -0.0003624200000000, 0.0001538800000000, -0.0013279100000000 ] - [ 0.0000406800000000, -0.0002091200000000, -0.0002957800000000 ] - [ 0.0003011500000000, -0.0000258100000000, 0.0007032900000000 ] - [ -0.0002402800000000, 0.0001062900000000, 0.0001796700000000 ] - [ 0.0003011500000000, 0.0000258100000000, 0.0007032900000000 ] - [ -0.0003624200000000, -0.0001538800000000, -0.0013279100000000 ] - [ 0.0000406800000000, 0.0002091200000000, -0.0002957800000000 ] - [ 0.0000780800000000, 0.0000000000000000, -0.0000210900000000 ] - [ 0.0001153900000000, 0.0000797600000000, -0.0003493100000000 ] - [ 0.0001153900000000, -0.0000797600000000, -0.0003493100000000 ] - [ 0.0001259800000000, 0.0000000000000000, 0.0001173200000000 ] - [ 0.0000402500000000, 0.0000000000000000, 0.0001079100000000 ] - [ -0.0000890100000000, 0.0000000000000000, 0.0001593700000000 ] - [ -0.0007641400000000, 0.0003425800000000, 0.0000538800000000 ] - [ -0.0007641400000000, -0.0003425800000000, 0.0000538800000000 ] - [ -0.0001514900000000, -0.0000975100000000, 0.0000946500000000 ] - [ 0.0002507400000000, -0.0000248700000000, -0.0002054600000000 ] - [ -0.0000427100000000, -0.0000097900000000, -0.0000551100000000 ] - [ 0.0000077300000000, 0.0006032500000000, 0.0003477800000000 ] - [ 0.0002507400000000, 0.0000248700000000, -0.0002054600000000 ] - [ -0.0001514900000000, 0.0000975100000000, 0.0000946500000000 ] - [ 0.0000077300000000, -0.0006032500000000, 0.0003477800000000 ] - [ -0.0000427100000000, 0.0000097900000000, -0.0000551100000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0099306400000000, -0.0498939200000000, -0.0415123000000000 ] - [ 0.0003373100000000, -0.0000221200000000, 0.0008178700000000 ] - [ 0.0009617500000000, -0.0014315400000000, 0.0035944000000000 ] - [ 0.0000606000000000, -0.0000374300000000, -0.0003015800000000 ] - [ -0.0025952900000000, -0.0006987600000000, 0.0110139600000000 ] - [ -0.0000602800000000, 0.0000086300000000, -0.0002651600000000 ] - [ -0.0011180400000000, -0.0001304800000000, 0.0000496400000000 ] - [ -0.0013318600000000, -0.0036234100000000, 0.0032650900000000 ] - [ 0.0000606000000000, 0.0000374300000000, -0.0003015800000000 ] - [ -0.0013318600000000, 0.0036234100000000, 0.0032650900000000 ] - [ -0.0011180400000000, 0.0001304800000000, 0.0000496400000000 ] - [ -0.0099306400000000, 0.0498939200000000, -0.0415123000000000 ] - [ -0.0000602800000000, -0.0000086300000000, -0.0002651600000000 ] - [ -0.0025952900000000, 0.0006987600000000, 0.0110139600000000 ] - [ 0.0009617500000000, 0.0014315400000000, 0.0035944000000000 ] - [ 0.0003373100000000, 0.0000221200000000, 0.0008178700000000 ] - [ -0.0000973800000000, -0.0000512800000000, 0.0004237700000000 ] - [ 0.0000374100000000, 0.0005492700000000, -0.0007571100000000 ] - [ 0.0000647200000000, -0.0001716100000000, -0.0001787600000000 ] - [ 0.0009603600000000, 0.0004873000000000, 0.0000840700000000 ] - [ -0.0002462200000000, -0.0000784600000000, -0.0000806200000000 ] - [ 0.0000241400000000, 0.0002954000000000, 0.0011936500000000 ] - [ -0.0017465900000000, 0.0021979100000000, -0.0006128200000000 ] - [ -0.0005454900000000, -0.0000897400000000, -0.0003393400000000 ] - [ 0.0009603600000000, -0.0004873000000000, 0.0000840700000000 ] - [ -0.0005454900000000, 0.0000897400000000, -0.0003393400000000 ] - [ -0.0017465900000000, -0.0021979100000000, -0.0006128200000000 ] - [ -0.0000973800000000, 0.0000512800000000, 0.0004237700000000 ] - [ 0.0000241400000000, -0.0002954000000000, 0.0011936500000000 ] - [ -0.0002462200000000, 0.0000784600000000, -0.0000806200000000 ] - [ 0.0000647200000000, 0.0001716100000000, -0.0001787600000000 ] - [ 0.0000374100000000, -0.0005492700000000, -0.0007571100000000 ] - [ -0.0000694900000000, -0.0000098000000000, -0.0001845200000000 ] - [ -0.0014006100000000, -0.0026394800000000, 0.0050999800000000 ] - [ 0.0000004900000000, 0.0003562000000000, -0.0007317000000000 ] - [ -0.0006992400000000, -0.0014474700000000, -0.0003503600000000 ] - [ 0.0022857400000000, 0.0019492500000000, -0.0013180300000000 ] - [ 0.0000566400000000, -0.0000449300000000, 0.0000633700000000 ] - [ 0.0002959600000000, -0.0001883900000000, 0.0000470200000000 ] - [ 0.0001487900000000, -0.0000134800000000, 0.0000855900000000 ] - [ -0.0040408700000000, -0.0168707700000000, -0.0130382900000000 ] - [ -0.0000016300000000, 0.0002369900000000, -0.0005247000000000 ] - [ 0.0003207800000000, -0.0006869100000000, -0.0022747100000000 ] - [ 0.0001652200000000, -0.0001258100000000, 0.0002583500000000 ] - [ -0.0040408700000000, 0.0168707700000000, -0.0130382900000000 ] - [ 0.0001652200000000, 0.0001258100000000, 0.0002583500000000 ] - [ -0.0000016300000000, -0.0002369900000000, -0.0005247000000000 ] - [ 0.0003207800000000, 0.0006869100000000, -0.0022747100000000 ] - [ 0.0221010600000000, 0.0000000000000000, 0.0795599800000000 ] - [ -0.0004706200000000, -0.0002490100000000, -0.0006382100000000 ] - [ -0.0004706200000000, 0.0002490100000000, -0.0006382100000000 ] - [ -0.0000914800000000, 0.0000000000000000, 0.0001002400000000 ] - [ 0.0005036900000000, 0.0000000000000000, -0.0026364900000000 ] - [ -0.0000749900000000, 0.0000000000000000, 0.0000540200000000 ] - [ 0.0015391400000000, -0.0004597600000000, -0.0004079800000000 ] - [ 0.0015391400000000, 0.0004597600000000, -0.0004079800000000 ] - [ 0.0064832700000000, 0.0114403500000000, 0.0018078500000000 ] - [ -0.0000931900000000, -0.0000409400000000, -0.0001129800000000 ] - [ -0.0015675300000000, 0.0015075500000000, -0.0035620000000000 ] - [ 0.0002785500000000, 0.0000992700000000, 0.0001795200000000 ] - [ -0.0000931900000000, 0.0000409400000000, -0.0001129800000000 ] - [ 0.0064832700000000, -0.0114403500000000, 0.0018078500000000 ] - [ 0.0002785500000000, -0.0000992700000000, 0.0001795200000000 ] - [ -0.0015675300000000, -0.0015075500000000, -0.0035620000000000 ] - [ -0.0014006100000000, 0.0026394800000000, 0.0050999800000000 ] - [ -0.0000694900000000, 0.0000098000000000, -0.0001845200000000 ] - [ 0.0000566400000000, 0.0000449300000000, 0.0000633700000000 ] - [ 0.0001487900000000, 0.0000134800000000, 0.0000855900000000 ] - [ 0.0002959600000000, 0.0001883900000000, 0.0000470200000000 ] - [ 0.0000004900000000, -0.0003562000000000, -0.0007317000000000 ] - [ 0.0022857400000000, -0.0019492500000000, -0.0013180300000000 ] - [ -0.0006992400000000, 0.0014474700000000, -0.0003503600000000 ] - [ -0.0001765300000000, -0.0001422300000000, -0.0001767200000000 ] - [ 0.0001146600000000, 0.0002637400000000, 0.0013182200000000 ] - [ 0.0002079900000000, -0.0002073100000000, 0.0002917700000000 ] - [ 0.0001164200000000, -0.0002227600000000, -0.0006988200000000 ] - [ -0.0001765300000000, 0.0001422300000000, -0.0001767200000000 ] - [ 0.0001164200000000, 0.0002227600000000, -0.0006988200000000 ] - [ 0.0001146600000000, -0.0002637400000000, 0.0013182200000000 ] - [ 0.0002079900000000, 0.0002073100000000, 0.0002917700000000 ] - [ 0.0001049500000000, 0.0000000000000000, -0.0001505400000000 ] - [ -0.0001093100000000, -0.0002610400000000, 0.0001780200000000 ] - [ -0.0001093100000000, 0.0002610400000000, 0.0001780200000000 ] - [ -0.0003082000000000, 0.0000000000000000, 0.0000566800000000 ] - [ 0.0001412300000000, 0.0000000000000000, 0.0000604000000000 ] - [ -0.0000927400000000, 0.0000000000000000, -0.0003257000000000 ] - [ 0.0007620400000000, -0.0001588900000000, 0.0001149300000000 ] - [ 0.0007620400000000, 0.0001588900000000, 0.0001149300000000 ] - [ 0.0001594300000000, 0.0000893800000000, -0.0000937000000000 ] - [ -0.0002581500000000, 0.0000212600000000, 0.0002061700000000 ] - [ 0.0000526700000000, 0.0000192600000000, 0.0000557500000000 ] - [ -0.0000168900000000, -0.0005909700000000, -0.0003478700000000 ] - [ -0.0002581500000000, -0.0000212600000000, 0.0002061700000000 ] - [ 0.0001594300000000, -0.0000893800000000, -0.0000937000000000 ] - [ -0.0000168900000000, 0.0005909700000000, -0.0003478700000000 ] - [ 0.0000526700000000, -0.0000192600000000, 0.0000557500000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.1588327400000000, 0.0543280700000000, -0.0969424700000000 ] - [ -0.0010044300000000, -0.0007885700000000, 0.0043699500000000 ] - [ 0.0012578300000000, -0.0007741300000000, 0.0005334700000000 ] - [ -0.0022774400000000, 0.0006021000000000, -0.0004879200000000 ] - [ 0.0004212800000000, -0.0014576700000000, 0.0022309400000000 ] - [ -0.0007535100000000, 0.0015181100000000, 0.0000027200000000 ] - [ 0.0009068200000000, 0.0004218800000000, -0.0000758400000000 ] - [ 0.0550829800000000, 0.0535910400000000, -0.0411160200000000 ] - [ -0.0004806800000000, 0.0009279600000000, -0.0003944800000000 ] - [ 0.0019082400000000, -0.0012726100000000, -0.0013058900000000 ] - [ -0.0177453800000000, 0.0032743600000000, 0.0024950000000000 ] - [ 0.0044159200000000, -0.0111859000000000, 0.0008598800000000 ] - [ -0.0051078000000000, 0.0014256500000000, -0.0020181000000000 ] - [ 0.0017500000000000, 0.0010525100000000, 0.0080594700000000 ] - [ 0.0024486400000000, 0.0002921800000000, 0.0079973600000000 ] - [ 0.0007076700000000, 0.0001710800000000, 0.0003464800000000 ] - [ -0.0005746100000000, -0.0008374600000000, 0.0004501600000000 ] - [ -0.0018723100000000, -0.0020495400000000, 0.0004170900000000 ] - [ -0.0062358200000000, 0.0004018700000000, 0.0000081200000000 ] - [ 0.0006610800000000, -0.0006860700000000, -0.0006408800000000 ] - [ -0.0046407500000000, -0.0023585400000000, -0.0002507800000000 ] - [ 0.0030629600000000, -0.0007839000000000, 0.0005979300000000 ] - [ -0.0013296700000000, 0.0009663200000000, 0.0039142500000000 ] - [ -0.0012375700000000, -0.0000850800000000, 0.0000196000000000 ] - [ 0.0058493000000000, 0.0003689900000000, -0.0025635800000000 ] - [ -0.0028120600000000, 0.0000314300000000, 0.0006028100000000 ] - [ -0.0009846900000000, -0.0007780200000000, 0.0004097200000000 ] - [ -0.0020006300000000, -0.0009672600000000, 0.0011513800000000 ] - [ 0.0005368000000000, -0.0006412500000000, 0.0002034800000000 ] - [ -0.0007945500000000, -0.0012374100000000, -0.0002773800000000 ] - [ -0.0016681400000000, -0.0001490900000000, 0.0000460700000000 ] - [ -0.0091063800000000, 0.0175689300000000, 0.0017870800000000 ] - [ -0.0000782000000000, 0.0001546700000000, -0.0001232000000000 ] - [ 0.0014523200000000, 0.0034675200000000, -0.0000767400000000 ] - [ -0.0002437000000000, 0.0002326300000000, -0.0001273300000000 ] - [ -0.0003091700000000, 0.0004299200000000, 0.0002816900000000 ] - [ 0.0004991900000000, 0.0008190100000000, -0.0003213500000000 ] - [ 0.0008514100000000, -0.0004888600000000, -0.0000574000000000 ] - [ -0.0000814200000000, 0.0002035400000000, 0.0000576900000000 ] - [ 0.0006255300000000, -0.0003420900000000, 0.0000845900000000 ] - [ -0.0019479000000000, 0.0011303400000000, -0.0132782900000000 ] - [ 0.0023984800000000, -0.0002738500000000, -0.0043968600000000 ] - [ -0.0003808100000000, -0.0000724500000000, 0.0002549900000000 ] - [ 0.0013049500000000, -0.0004331300000000, 0.0009086500000000 ] - [ -0.0010926300000000, 0.0019696900000000, -0.0025404400000000 ] - [ 0.0003868400000000, -0.0002490200000000, 0.0002066400000000 ] - [ -0.0003487900000000, -0.0003997400000000, -0.0001045000000000 ] - [ -0.0044978400000000, 0.0040618600000000, -0.0139870200000000 ] - [ 0.0034066300000000, 0.0196061400000000, -0.0065231700000000 ] - [ -0.0004396800000000, -0.0000127600000000, -0.0015824500000000 ] - [ -0.0009119000000000, 0.0001935300000000, -0.0001235100000000 ] - [ 0.0003439300000000, -0.0007926600000000, 0.0001760300000000 ] - [ -0.0001275700000000, 0.0009290700000000, -0.0014899400000000 ] - [ 0.0008067500000000, -0.0014381100000000, 0.0001995800000000 ] - [ -0.0012943800000000, 0.0002344000000000, 0.0001790600000000 ] - [ 0.0265452400000000, 0.0164543400000000, -0.0114326600000000 ] - [ -0.2487519100000000, -0.1456039900000000, 0.1851956700000000 ] - [ 0.0010300400000000, -0.0007047500000000, -0.0011238400000000 ] - [ -0.0009345800000000, 0.0007062400000000, -0.0009487000000000 ] - [ -0.0000191100000000, -0.0005425800000000, -0.0000786800000000 ] - [ -0.0000960100000000, -0.0002731600000000, 0.0000577000000000 ] - [ -0.0024447800000000, 0.0022463300000000, 0.0015722600000000 ] - [ 0.0048038900000000, -0.0022528000000000, 0.0020665000000000 ] - [ -0.0029614800000000, -0.0023536400000000, -0.0041663500000000 ] - [ 0.0301574100000000, -0.0116888500000000, -0.0121770300000000 ] - [ 0.0012877200000000, 0.0011597200000000, -0.0007627300000000 ] - [ 0.0030482000000000, 0.0010348400000000, 0.0003041800000000 ] - [ 0.0015055900000000, 0.0005798400000000, -0.0000027000000000 ] - [ 0.0059910700000000, 0.0032045200000000, 0.0000615900000000 ] - [ -0.0023974100000000, 0.0018676000000000, -0.0016119900000000 ] - [ 0.0001538100000000, -0.0007038400000000, -0.0016258300000000 ] - [ -0.0105044100000000, 0.0013815200000000, 0.0009950100000000 ] - [ 0.0000030800000000, 0.0001850000000000, -0.0001183100000000 ] - [ 0.0002765200000000, 0.0006426100000000, -0.0004895800000000 ] - [ 0.0014910800000000, -0.0002536600000000, -0.0004972500000000 ] - [ 0.0000894000000000, 0.0000765500000000, 0.0001984900000000 ] - [ 0.0008271800000000, 0.0005993700000000, -0.0006693400000000 ] - [ -0.0011485900000000, 0.0003137400000000, 0.0002424600000000 ] - [ 0.0010879100000000, -0.0028282000000000, -0.0041636000000000 ] - [ 0.0005776500000000, 0.0002365500000000, -0.0000544000000000 ] - [ 0.0004141500000000, 0.0007408300000000, -0.0002420300000000 ] - [ 0.0013968900000000, 0.0002463000000000, -0.0000993700000000 ] - [ 0.0068411400000000, -0.0021102400000000, -0.0000659300000000 ] - [ -0.0009658800000000, 0.0003432100000000, 0.0003401700000000 ] - [ 0.0007775200000000, 0.0012991800000000, 0.0001320400000000 ] - [ -0.0005627700000000, 0.0005040300000000, -0.0000944200000000 ] - [ 0.0020100600000000, -0.0000688500000000, -0.0005098500000000 ] - [ 0.0009531300000000, 0.0000619500000000, -0.0000062300000000 ] - [ 0.0005156000000000, 0.0003376900000000, -0.0003093300000000 ] - [ -0.0001313600000000, 0.0007705900000000, 0.0004080900000000 ] - [ 0.0027508100000000, -0.0007733300000000, 0.0012075700000000 ] - [ -0.0010601500000000, -0.0008925300000000, -0.0013708300000000 ] - [ -0.0018483300000000, -0.0042227000000000, 0.0024602600000000 ] - [ 0.0011975000000000, -0.0003899500000000, -0.0007459300000000 ] - [ -0.0001344400000000, 0.0003875100000000, -0.0002888800000000 ] - [ 0.0006907300000000, 0.0004633200000000, 0.0003674500000000 ]- atom: 57 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1648495700000000, -0.0580028100000000, 0.1035318400000000 ] - [ 0.0009885400000000, 0.0008674200000000, -0.0039820200000000 ] - [ -0.0012121700000000, 0.0006957700000000, -0.0001506000000000 ] - [ 0.0023692800000000, -0.0006470900000000, 0.0000979300000000 ] - [ -0.0005048300000000, 0.0014980900000000, -0.0026329000000000 ] - [ 0.0008406200000000, -0.0014701300000000, 0.0003811200000000 ] - [ -0.0009510000000000, -0.0005038600000000, -0.0003072800000000 ] - [ -0.0555098100000000, -0.0526565000000000, 0.0399491500000000 ] - [ 0.0005667900000000, -0.0008839200000000, 0.0000088300000000 ] - [ -0.0018638700000000, 0.0012012400000000, 0.0009292700000000 ] - [ 0.0177115200000000, -0.0031908600000000, -0.0028738100000000 ] - [ -0.0045177100000000, 0.0112825000000000, -0.0004790000000000 ] - [ 0.0051991500000000, -0.0014695400000000, 0.0024013100000000 ] - [ -0.0018514800000000, -0.0011053900000000, -0.0084533000000000 ] - [ -0.0024028500000000, -0.0001990500000000, -0.0077039600000000 ] - [ -0.0007499100000000, -0.0002544100000000, 0.0000374000000000 ] - [ 0.0004911500000000, 0.0007935900000000, -0.0000661200000000 ] - [ 0.0018290900000000, 0.0021517100000000, -0.0000320100000000 ] - [ 0.0063080400000000, -0.0004920600000000, 0.0003727500000000 ] - [ -0.0005825200000000, 0.0006727000000000, 0.0002566400000000 ] - [ 0.0045653700000000, 0.0024022600000000, -0.0001284500000000 ] - [ -0.0029992400000000, 0.0008384600000000, -0.0002419200000000 ] - [ 0.0012737100000000, -0.0010520700000000, -0.0043375100000000 ] - [ 0.0012831000000000, 0.0001716500000000, -0.0004044900000000 ] - [ -0.0059277800000000, -0.0002686100000000, 0.0021866300000000 ] - [ 0.0028628900000000, -0.0001188900000000, -0.0009972600000000 ] - [ 0.0009379200000000, 0.0008689000000000, -0.0007971900000000 ] - [ 0.0019229100000000, 0.0010133400000000, -0.0007649700000000 ] - [ -0.0004559500000000, 0.0006091800000000, 0.0001755500000000 ] - [ 0.0007130300000000, 0.0011907500000000, -0.0001049000000000 ] - [ 0.0017146800000000, 0.0002354400000000, 0.0003368600000000 ] - [ 0.0091015000000000, -0.0178215000000000, -0.0013983400000000 ] - [ 0.0000340400000000, -0.0001976000000000, -0.0000236700000000 ] - [ -0.0015037200000000, -0.0034468700000000, -0.0000704000000000 ] - [ 0.0002845800000000, -0.0002806400000000, -0.0000175400000000 ] - [ 0.0003477500000000, -0.0004842900000000, -0.0001375400000000 ] - [ -0.0005430900000000, -0.0007787600000000, 0.0004703300000000 ] - [ -0.0008095200000000, 0.0005298500000000, -0.0000868700000000 ] - [ 0.0000380900000000, -0.0002473300000000, 0.0000866500000000 ] - [ -0.0005836900000000, 0.0003842800000000, 0.0000628800000000 ] - [ 0.0016081600000000, -0.0013616100000000, 0.0132906700000000 ] - [ -0.0026507200000000, 0.0006892500000000, 0.0043852000000000 ] - [ 0.0006290300000000, -0.0003486800000000, -0.0002572200000000 ] - [ -0.0008888800000000, 0.0001847100000000, -0.0009038800000000 ] - [ 0.0006788800000000, -0.0017324800000000, 0.0025611500000000 ] - [ 0.0000318100000000, 0.0004967700000000, -0.0002080000000000 ] - [ 0.0000995400000000, -0.0000196900000000, 0.0001058700000000 ] - [ 0.0046579700000000, -0.0036730500000000, 0.0141135600000000 ] - [ -0.0032773200000000, -0.0198471000000000, 0.0064254900000000 ] - [ 0.0004103300000000, -0.0001690100000000, 0.0014286100000000 ] - [ 0.0009105800000000, -0.0000143100000000, -0.0000504300000000 ] - [ -0.0005267000000000, 0.0007934000000000, -0.0000015000000000 ] - [ 0.0003098300000000, -0.0009213100000000, 0.0016615400000000 ] - [ -0.0009875500000000, 0.0014360700000000, -0.0003680000000000 ] - [ 0.0012937900000000, -0.0000584100000000, -0.0000108000000000 ] - [ -0.0263129300000000, -0.0163455900000000, 0.0114930500000000 ] - [ 0.2556335900000000, 0.1484287400000000, -0.1909926200000000 ] - [ -0.0010486000000000, 0.0006995500000000, 0.0011262700000000 ] - [ 0.0009465500000000, -0.0006980200000000, 0.0009547800000000 ] - [ 0.0000082200000000, 0.0005506800000000, 0.0000775100000000 ] - [ 0.0000848600000000, 0.0002817400000000, -0.0000566400000000 ] - [ 0.0024670900000000, -0.0022522300000000, -0.0015806000000000 ] - [ -0.0048193500000000, 0.0022454000000000, -0.0020710300000000 ] - [ 0.0029865600000000, 0.0023570500000000, 0.0041920900000000 ] - [ -0.0308498800000000, 0.0118090600000000, 0.0122788200000000 ] - [ -0.0013402700000000, -0.0011210400000000, 0.0006163700000000 ] - [ -0.0030139000000000, -0.0010807400000000, -0.0004491200000000 ] - [ -0.0014678100000000, -0.0006254100000000, 0.0001500100000000 ] - [ -0.0060316100000000, -0.0031601500000000, 0.0000850500000000 ] - [ 0.0024520300000000, -0.0018349200000000, 0.0014819900000000 ] - [ -0.0001850600000000, 0.0006571100000000, 0.0017768200000000 ] - [ 0.0106381500000000, -0.0015551200000000, -0.0007747900000000 ] - [ -0.0004226600000000, -0.0004340500000000, 0.0001206900000000 ] - [ -0.0005252000000000, -0.0002276500000000, 0.0004926300000000 ] - [ -0.0012479300000000, -0.0001640800000000, 0.0005047800000000 ] - [ 0.0003308600000000, -0.0003315600000000, -0.0001945700000000 ] - [ -0.0012481300000000, -0.0003504900000000, 0.0006663800000000 ] - [ 0.0015917400000000, -0.0000734700000000, -0.0002216100000000 ] - [ -0.0013393500000000, 0.0024396400000000, 0.0042072300000000 ] - [ -0.0003294800000000, 0.0001818500000000, 0.0000523200000000 ] - [ -0.0002357000000000, -0.0007414100000000, 0.0000684700000000 ] - [ -0.0013982300000000, -0.0004284300000000, -0.0000703700000000 ] - [ -0.0068861300000000, 0.0023152500000000, -0.0001120900000000 ] - [ 0.0008057400000000, -0.0003833300000000, -0.0001685200000000 ] - [ -0.0006000200000000, -0.0012973900000000, 0.0000364200000000 ] - [ 0.0003860000000000, -0.0005141000000000, -0.0000701600000000 ] - [ -0.0020110500000000, 0.0002483600000000, 0.0006842900000000 ] - [ -0.0009525900000000, -0.0002436700000000, 0.0001812600000000 ] - [ -0.0005070000000000, -0.0003481300000000, 0.0003101100000000 ] - [ 0.0001285000000000, -0.0007935700000000, -0.0004166200000000 ] - [ -0.0027494500000000, 0.0007907400000000, -0.0012111800000000 ] - [ 0.0010638100000000, 0.0009107800000000, 0.0013880200000000 ] - [ 0.0018804200000000, 0.0042760600000000, -0.0024948200000000 ] - [ -0.0011921700000000, 0.0004004700000000, 0.0007504300000000 ] - [ 0.0001284000000000, -0.0004030200000000, 0.0002920700000000 ] - [ -0.0006818200000000, -0.0004744500000000, -0.0003684700000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.1030365200000000, -0.0445833600000000, 0.1050347900000000 ] - [ 0.0034148100000000, -0.0002209300000000, -0.0019310400000000 ] - [ -0.0006379300000000, 0.0010933800000000, -0.0005394400000000 ] - [ 0.0011764400000000, -0.0006708000000000, -0.0009255900000000 ] - [ -0.0003143200000000, 0.0034880600000000, -0.0023100700000000 ] - [ 0.0001442900000000, -0.0005041800000000, 0.0003777800000000 ] - [ -0.0005411500000000, 0.0000540800000000, -0.0000189200000000 ] - [ -0.0424679300000000, -0.0984752900000000, 0.1027660300000000 ] - [ 0.0001391900000000, -0.0004042000000000, -0.0003595400000000 ] - [ -0.0008699300000000, 0.0015982500000000, 0.0010468600000000 ] - [ 0.0087490300000000, -0.0018435900000000, 0.0000071000000000 ] - [ -0.0019159700000000, 0.0087556600000000, 0.0004152600000000 ] - [ 0.0016874700000000, -0.0009114100000000, 0.0014477800000000 ] - [ -0.0001018300000000, -0.0014781600000000, -0.0191938600000000 ] - [ -0.0014470300000000, -0.0000420800000000, -0.0187541700000000 ] - [ -0.0004406600000000, 0.0000487000000000, 0.0000313200000000 ] - [ 0.0002288100000000, 0.0006780100000000, 0.0000232500000000 ] - [ 0.0011906800000000, 0.0021679200000000, 0.0004141400000000 ] - [ 0.0024556000000000, -0.0005076000000000, 0.0005103800000000 ] - [ -0.0004192800000000, 0.0024348800000000, 0.0001081400000000 ] - [ 0.0020784500000000, 0.0012338500000000, 0.0000145300000000 ] - [ -0.0033993000000000, 0.0018754600000000, -0.0020706300000000 ] - [ 0.0018618100000000, -0.0035166200000000, -0.0024385800000000 ] - [ 0.0007154000000000, 0.0003245400000000, -0.0003674100000000 ] - [ -0.0089473100000000, 0.0040681100000000, 0.0008382300000000 ] - [ 0.0015579500000000, -0.0003621100000000, -0.0006539700000000 ] - [ 0.0007582100000000, 0.0013763500000000, -0.0007071200000000 ] - [ 0.0012762300000000, 0.0007919900000000, -0.0003170000000000 ] - [ -0.0002660800000000, 0.0015189200000000, -0.0002647000000000 ] - [ 0.0002922900000000, 0.0008295600000000, -0.0000698100000000 ] - [ 0.0008659800000000, 0.0003820000000000, 0.0003229600000000 ] - [ 0.0039996800000000, -0.0089695600000000, 0.0012553400000000 ] - [ 0.0000757600000000, -0.0002688800000000, -0.0000282200000000 ] - [ -0.0014425500000000, -0.0028714300000000, -0.0002355500000000 ] - [ -0.0001181900000000, -0.0007371600000000, 0.0001085300000000 ] - [ -0.0002040800000000, -0.0011059600000000, -0.0001627000000000 ] - [ -0.0008459300000000, -0.0012840400000000, 0.0004532400000000 ] - [ -0.0002793000000000, 0.0001337200000000, -0.0001037200000000 ] - [ 0.0000947400000000, -0.0003213200000000, 0.0000369500000000 ] - [ -0.0002282900000000, 0.0001157500000000, 0.0001137300000000 ] - [ -0.0136655200000000, -0.0062382500000000, 0.0362693900000000 ] - [ -0.0018402200000000, 0.0003065200000000, 0.0012326300000000 ] - [ 0.0003391000000000, -0.0003663100000000, -0.0001486800000000 ] - [ 0.0000519200000000, 0.0000916300000000, -0.0001533700000000 ] - [ -0.0001140800000000, -0.0015931900000000, 0.0012131200000000 ] - [ 0.0002692500000000, 0.0002445100000000, -0.0000095300000000 ] - [ -0.0000033900000000, -0.0001482600000000, -0.0000051600000000 ] - [ -0.0058649300000000, -0.0129885300000000, 0.0357084300000000 ] - [ -0.0055539100000000, -0.0119636100000000, -0.0019166000000000 ] - [ -0.0032394100000000, -0.0004050300000000, 0.0034746300000000 ] - [ 0.0005257700000000, -0.0001111700000000, 0.0000274400000000 ] - [ -0.0002957400000000, 0.0005249000000000, 0.0001970300000000 ] - [ -0.0002302800000000, -0.0032888800000000, 0.0036610200000000 ] - [ -0.0003816400000000, 0.0006846300000000, -0.0002638700000000 ] - [ 0.0006820200000000, -0.0001970500000000, -0.0000977500000000 ] - [ -0.0119996300000000, -0.0057148500000000, -0.0016523000000000 ] - [ 0.1893230300000000, 0.1868406100000000, -0.2525028500000000 ] - [ -0.0011258100000000, 0.0009449100000000, 0.0011726100000000 ] - [ 0.0009597800000000, -0.0011236500000000, 0.0011765600000000 ] - [ 0.0000706600000000, 0.0000856600000000, -0.0001002200000000 ] - [ 0.0000508100000000, 0.0000631800000000, 0.0000902400000000 ] - [ 0.0015814500000000, -0.0020598900000000, -0.0016309600000000 ] - [ -0.0020785100000000, 0.0015698500000000, -0.0016329900000000 ] - [ 0.0041882200000000, 0.0041721600000000, 0.0086977800000000 ] - [ -0.0124225300000000, 0.0053067500000000, -0.0030709500000000 ] - [ -0.0013157200000000, -0.0008021300000000, 0.0003151800000000 ] - [ -0.0010611800000000, -0.0002416200000000, -0.0003050100000000 ] - [ -0.0006963600000000, -0.0001579500000000, 0.0002466200000000 ] - [ -0.0029183700000000, -0.0014038600000000, -0.0000921800000000 ] - [ 0.0029051600000000, -0.0026851100000000, 0.0034636700000000 ] - [ -0.0027669200000000, 0.0028930500000000, 0.0036190000000000 ] - [ 0.0053957800000000, -0.0124824600000000, -0.0027997800000000 ] - [ -0.0002937900000000, -0.0003598200000000, 0.0000369600000000 ] - [ -0.0004185200000000, -0.0003168100000000, 0.0002174100000000 ] - [ -0.0004760200000000, -0.0001239700000000, 0.0001364600000000 ] - [ 0.0002932900000000, -0.0007260400000000, 0.0001455500000000 ] - [ -0.0007333000000000, -0.0001697500000000, 0.0002227700000000 ] - [ 0.0016908800000000, -0.0008531200000000, 0.0009697100000000 ] - [ -0.0011032300000000, 0.0012682800000000, 0.0009383000000000 ] - [ -0.0001107400000000, 0.0001231100000000, 0.0000310900000000 ] - [ -0.0001254500000000, -0.0005913500000000, 0.0000088400000000 ] - [ -0.0007748000000000, -0.0004241900000000, -0.0001400200000000 ] - [ -0.0027487500000000, 0.0012937300000000, -0.0002923200000000 ] - [ 0.0011144300000000, -0.0027725600000000, -0.0001201700000000 ] - [ -0.0002385000000000, -0.0007764100000000, 0.0000268600000000 ] - [ 0.0003323600000000, -0.0013465400000000, 0.0002659200000000 ] - [ -0.0013544800000000, 0.0005196800000000, 0.0004271700000000 ] - [ -0.0005926200000000, -0.0003113800000000, 0.0001788400000000 ] - [ -0.0003025500000000, -0.0003167100000000, 0.0002348000000000 ] - [ 0.0004069200000000, -0.0012181400000000, -0.0006496700000000 ] - [ -0.0012002100000000, 0.0004180200000000, -0.0006458700000000 ] - [ 0.0013690100000000, 0.0013901800000000, 0.0017099900000000 ] - [ 0.0024761400000000, 0.0024786300000000, -0.0024985500000000 ] - [ -0.0007403300000000, 0.0002978300000000, 0.0004982300000000 ] - [ 0.0002837400000000, -0.0007551200000000, 0.0004978600000000 ] - [ -0.0003614500000000, -0.0003745900000000, -0.0002576200000000 ]