# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/258c05c2-d536-49e5-9dbb-f11ac9d3446e/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 Cd4GeS6 / Cc (9) / materials id 5151](https://mdr.nims.go.jp/datasets/0421c053-719b-4563-8f07-98e6259e1af9) ## 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: "Cc" number: 9 Hall_symbol: "C -2yc"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 6.147421750000000, -3.541942260000000, 0.003484125000000 ] # a - [ 6.147421750000000, 3.541942260000000, 0.003484125000000 ] # b - [ -4.246402170000000, 0.000000000000000, 11.579704670000000 ] # c points: - symbol: S # 1 coordinates: [ 0.737526610000000, 0.300713670000000, 0.202803440000000 ] mass: 32.065000 - symbol: S # 2 coordinates: [ 0.300713670000000, 0.737526610000000, 0.702803440000000 ] mass: 32.065000 - symbol: S # 3 coordinates: [ 0.990762450000000, 0.437726950000000, 0.758453590000000 ] mass: 32.065000 - symbol: S # 4 coordinates: [ 0.437726950000000, 0.990762450000000, 0.258453590000000 ] mass: 32.065000 - symbol: S # 5 coordinates: [ 0.038507170000000, 0.998903190000000, 0.439348460000000 ] mass: 32.065000 - symbol: S # 6 coordinates: [ 0.998903190000000, 0.038507170000000, 0.939348460000000 ] mass: 32.065000 - symbol: S # 7 coordinates: [ 0.524971430000000, 0.047496950000000, 0.942128070000000 ] mass: 32.065000 - symbol: S # 8 coordinates: [ 0.047496950000000, 0.524971430000000, 0.442128070000000 ] mass: 32.065000 - symbol: S # 9 coordinates: [ 0.535927970000000, 0.572280990000000, 0.974577730000000 ] mass: 32.065000 - symbol: S # 10 coordinates: [ 0.572280990000000, 0.535927970000000, 0.474577730000000 ] mass: 32.065000 - symbol: S # 11 coordinates: [ 0.086197630000000, 0.595232130000000, 0.138179970000000 ] mass: 32.065000 - symbol: S # 12 coordinates: [ 0.595232130000000, 0.086197630000000, 0.638179970000000 ] mass: 32.065000 - symbol: Ge # 13 coordinates: [ 0.326317710000000, 0.867240710000000, 0.890279540000000 ] mass: 72.640000 - symbol: Ge # 14 coordinates: [ 0.867240710000000, 0.326317710000000, 0.390279540000000 ] mass: 72.640000 - symbol: Cd # 15 coordinates: [ 0.332787560000000, 0.727813740000000, 0.301199210000000 ] mass: 112.411000 - symbol: Cd # 16 coordinates: [ 0.727813740000000, 0.332787560000000, 0.801199210000000 ] mass: 112.411000 - symbol: Cd # 17 coordinates: [ 0.080102400000000, 0.242958160000000, 0.143589700000000 ] mass: 112.411000 - symbol: Cd # 18 coordinates: [ 0.242958160000000, 0.080102400000000, 0.643589700000000 ] mass: 112.411000 - symbol: Cd # 19 coordinates: [ 0.235651700000000, 0.460145140000000, 0.953371360000000 ] mass: 112.411000 - symbol: Cd # 20 coordinates: [ 0.460145140000000, 0.235651700000000, 0.453371360000000 ] mass: 112.411000 - symbol: Cd # 21 coordinates: [ 0.711772610000000, 0.926763210000000, 0.140268960000000 ] mass: 112.411000 - symbol: Cd # 22 coordinates: [ 0.926763210000000, 0.711772610000000, 0.640268960000000 ] mass: 112.411000 reciprocal_lattice: # without 2pi - [ 0.081318009901703, -0.141165485854081, 0.029820188299040 ] # a* - [ 0.081318009901703, 0.141165485854081, 0.029820188299040 ] # b* - [ -0.000048934255117, -0.000000000000000, 0.086340043547318 ] # c*unit_cell: lattice: - [ 12.294843500000001, 0.000000000000000, 0.006968250000000 ] # a - [ 0.000000000000000, 7.083884520000000, 0.000000000000000 ] # b - [ -4.246402170000000, 0.000000000000000, 11.579704670000000 ] # c points: - symbol: S # 1 coordinates: [ 0.019120140000000, 0.281593530000000, 0.202803440000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 2 coordinates: [ 0.019120140000000, 0.718406470000000, 0.702803440000000 ] mass: 32.065000 reduced_to: 2 - symbol: S # 3 coordinates: [ 0.214244700000000, 0.223482250000000, 0.758453590000000 ] mass: 32.065000 reduced_to: 3 - symbol: S # 4 coordinates: [ 0.714244700000000, 0.276517750000000, 0.258453590000000 ] mass: 32.065000 reduced_to: 4 - symbol: S # 5 coordinates: [ 0.018705180000000, 0.980198010000000, 0.439348460000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 6 coordinates: [ 0.018705180000000, 0.019801990000000, 0.939348460000000 ] mass: 32.065000 reduced_to: 6 - symbol: S # 7 coordinates: [ 0.286234190000000, 0.761262760000000, 0.942128070000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 8 coordinates: [ 0.786234190000000, 0.738737240000000, 0.442128070000000 ] mass: 32.065000 reduced_to: 8 - symbol: S # 9 coordinates: [ 0.054104480000000, 0.518176510000000, 0.974577730000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 10 coordinates: [ 0.054104480000000, 0.481823490000000, 0.474577730000000 ] mass: 32.065000 reduced_to: 10 - symbol: S # 11 coordinates: [ 0.840714880000000, 0.754517250000000, 0.138179970000000 ] mass: 32.065000 reduced_to: 11 - symbol: S # 12 coordinates: [ 0.840714880000000, 0.245482750000000, 0.638179970000000 ] mass: 32.065000 reduced_to: 12 - symbol: S # 13 coordinates: [ 0.519120140000000, 0.781593530000000, 0.202803440000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 14 coordinates: [ 0.519120140000000, 0.218406470000000, 0.702803440000000 ] mass: 32.065000 reduced_to: 2 - symbol: S # 15 coordinates: [ 0.714244700000000, 0.723482250000000, 0.758453590000000 ] mass: 32.065000 reduced_to: 3 - symbol: S # 16 coordinates: [ 0.214244700000000, 0.776517750000000, 0.258453590000000 ] mass: 32.065000 reduced_to: 4 - symbol: S # 17 coordinates: [ 0.518705180000000, 0.480198010000000, 0.439348460000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 18 coordinates: [ 0.518705180000000, 0.519801990000000, 0.939348460000000 ] mass: 32.065000 reduced_to: 6 - symbol: S # 19 coordinates: [ 0.786234190000000, 0.261262760000000, 0.942128070000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 20 coordinates: [ 0.286234190000000, 0.238737240000000, 0.442128070000000 ] mass: 32.065000 reduced_to: 8 - symbol: S # 21 coordinates: [ 0.554104480000000, 0.018176510000000, 0.974577730000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 22 coordinates: [ 0.554104480000000, 0.981823490000000, 0.474577730000000 ] mass: 32.065000 reduced_to: 10 - symbol: S # 23 coordinates: [ 0.340714880000000, 0.254517250000000, 0.138179970000000 ] mass: 32.065000 reduced_to: 11 - symbol: S # 24 coordinates: [ 0.340714880000000, 0.745482750000000, 0.638179970000000 ] mass: 32.065000 reduced_to: 12 - symbol: Ge # 25 coordinates: [ 0.096779210000000, 0.770461500000000, 0.890279540000000 ] mass: 72.640000 reduced_to: 25 - symbol: Ge # 26 coordinates: [ 0.096779210000000, 0.229538500000000, 0.390279540000000 ] mass: 72.640000 reduced_to: 26 - symbol: Ge # 27 coordinates: [ 0.596779210000000, 0.270461500000000, 0.890279540000000 ] mass: 72.640000 reduced_to: 25 - symbol: Ge # 28 coordinates: [ 0.596779210000000, 0.729538500000000, 0.390279540000000 ] mass: 72.640000 reduced_to: 26 - symbol: Cd # 29 coordinates: [ 0.030300650000000, 0.697513090000000, 0.301199210000000 ] mass: 112.411000 reduced_to: 29 - symbol: Cd # 30 coordinates: [ 0.030300650000000, 0.302486910000000, 0.801199210000000 ] mass: 112.411000 reduced_to: 30 - symbol: Cd # 31 coordinates: [ 0.661530280000000, 0.581427880000000, 0.143589700000000 ] mass: 112.411000 reduced_to: 31 - symbol: Cd # 32 coordinates: [ 0.161530280000000, 0.918572120000000, 0.643589700000000 ] mass: 112.411000 reduced_to: 32 - symbol: Cd # 33 coordinates: [ 0.347898420000000, 0.112246720000000, 0.953371360000000 ] mass: 112.411000 reduced_to: 33 - symbol: Cd # 34 coordinates: [ 0.847898420000000, 0.387753280000000, 0.453371360000000 ] mass: 112.411000 reduced_to: 34 - symbol: Cd # 35 coordinates: [ 0.819267910000000, 0.107495300000000, 0.140268960000000 ] mass: 112.411000 reduced_to: 35 - symbol: Cd # 36 coordinates: [ 0.319267910000000, 0.392504700000000, 0.640268960000000 ] mass: 112.411000 reduced_to: 36 - symbol: Cd # 37 coordinates: [ 0.530300650000000, 0.197513090000000, 0.301199210000000 ] mass: 112.411000 reduced_to: 29 - symbol: Cd # 38 coordinates: [ 0.530300650000000, 0.802486910000000, 0.801199210000000 ] mass: 112.411000 reduced_to: 30 - symbol: Cd # 39 coordinates: [ 0.161530280000000, 0.081427880000000, 0.143589700000000 ] mass: 112.411000 reduced_to: 31 - symbol: Cd # 40 coordinates: [ 0.661530280000000, 0.418572120000000, 0.643589700000000 ] mass: 112.411000 reduced_to: 32 - symbol: Cd # 41 coordinates: [ 0.847898420000000, 0.612246720000000, 0.953371360000000 ] mass: 112.411000 reduced_to: 33 - symbol: Cd # 42 coordinates: [ 0.347898420000000, 0.887753280000000, 0.453371360000000 ] mass: 112.411000 reduced_to: 34 - symbol: Cd # 43 coordinates: [ 0.319267910000000, 0.607495300000000, 0.140268960000000 ] mass: 112.411000 reduced_to: 35 - symbol: Cd # 44 coordinates: [ 0.819267910000000, 0.892504700000000, 0.640268960000000 ] mass: 112.411000 reduced_to: 36supercell: lattice: - [ 12.294843500000001, 0.000000000000000, 0.006968250000000 ] # a - [ 0.000000000000000, 14.167769040000000, 0.000000000000000 ] # b - [ -4.246402170000000, 0.000000000000000, 11.579704670000000 ] # c points: - symbol: S # 1 coordinates: [ 0.019120140000000, 0.140796765000000, 0.202803440000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 2 coordinates: [ 0.019120140000000, 0.640796765000000, 0.202803440000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 3 coordinates: [ 0.019120140000000, 0.359203235000000, 0.702803440000000 ] mass: 32.065000 reduced_to: 3 - symbol: S # 4 coordinates: [ 0.019120140000000, 0.859203235000000, 0.702803440000000 ] mass: 32.065000 reduced_to: 3 - symbol: S # 5 coordinates: [ 0.214244700000000, 0.111741125000000, 0.758453590000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 6 coordinates: [ 0.214244700000000, 0.611741125000000, 0.758453590000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 7 coordinates: [ 0.714244700000000, 0.138258875000000, 0.258453590000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 8 coordinates: [ 0.714244700000000, 0.638258875000000, 0.258453590000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 9 coordinates: [ 0.018705180000000, 0.490099005000000, 0.439348460000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 10 coordinates: [ 0.018705180000000, 0.990099005000000, 0.439348460000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 11 coordinates: [ 0.018705180000000, 0.009900995000000, 0.939348460000000 ] mass: 32.065000 reduced_to: 11 - symbol: S # 12 coordinates: [ 0.018705180000000, 0.509900995000000, 0.939348460000000 ] mass: 32.065000 reduced_to: 11 - symbol: S # 13 coordinates: [ 0.286234190000000, 0.380631380000000, 0.942128070000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 14 coordinates: [ 0.286234190000000, 0.880631380000000, 0.942128070000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 15 coordinates: [ 0.786234190000000, 0.369368620000000, 0.442128070000000 ] mass: 32.065000 reduced_to: 15 - symbol: S # 16 coordinates: [ 0.786234190000000, 0.869368620000000, 0.442128070000000 ] mass: 32.065000 reduced_to: 15 - symbol: S # 17 coordinates: [ 0.054104480000000, 0.259088255000000, 0.974577730000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 18 coordinates: [ 0.054104480000000, 0.759088255000000, 0.974577730000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 19 coordinates: [ 0.054104480000000, 0.240911745000000, 0.474577730000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 20 coordinates: [ 0.054104480000000, 0.740911745000000, 0.474577730000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 21 coordinates: [ 0.840714880000000, 0.377258625000000, 0.138179970000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 22 coordinates: [ 0.840714880000000, 0.877258625000000, 0.138179970000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 23 coordinates: [ 0.840714880000000, 0.122741375000000, 0.638179970000000 ] mass: 32.065000 reduced_to: 23 - symbol: S # 24 coordinates: [ 0.840714880000000, 0.622741375000000, 0.638179970000000 ] mass: 32.065000 reduced_to: 23 - symbol: S # 25 coordinates: [ 0.519120140000000, 0.390796765000000, 0.202803440000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 26 coordinates: [ 0.519120140000000, 0.890796765000000, 0.202803440000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 27 coordinates: [ 0.519120140000000, 0.109203235000000, 0.702803440000000 ] mass: 32.065000 reduced_to: 3 - symbol: S # 28 coordinates: [ 0.519120140000000, 0.609203235000000, 0.702803440000000 ] mass: 32.065000 reduced_to: 3 - symbol: S # 29 coordinates: [ 0.714244700000000, 0.361741125000000, 0.758453590000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 30 coordinates: [ 0.714244700000000, 0.861741125000000, 0.758453590000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 31 coordinates: [ 0.214244700000000, 0.388258875000000, 0.258453590000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 32 coordinates: [ 0.214244700000000, 0.888258875000000, 0.258453590000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 33 coordinates: [ 0.518705180000000, 0.240099005000000, 0.439348460000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 34 coordinates: [ 0.518705180000000, 0.740099005000000, 0.439348460000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 35 coordinates: [ 0.518705180000000, 0.259900995000000, 0.939348460000000 ] mass: 32.065000 reduced_to: 11 - symbol: S # 36 coordinates: [ 0.518705180000000, 0.759900995000000, 0.939348460000000 ] mass: 32.065000 reduced_to: 11 - symbol: S # 37 coordinates: [ 0.786234190000000, 0.130631380000000, 0.942128070000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 38 coordinates: [ 0.786234190000000, 0.630631380000000, 0.942128070000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 39 coordinates: [ 0.286234190000000, 0.119368620000000, 0.442128070000000 ] mass: 32.065000 reduced_to: 15 - symbol: S # 40 coordinates: [ 0.286234190000000, 0.619368620000000, 0.442128070000000 ] mass: 32.065000 reduced_to: 15 - symbol: S # 41 coordinates: [ 0.554104480000000, 0.009088255000000, 0.974577730000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 42 coordinates: [ 0.554104480000000, 0.509088255000000, 0.974577730000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 43 coordinates: [ 0.554104480000000, 0.490911745000000, 0.474577730000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 44 coordinates: [ 0.554104480000000, 0.990911745000000, 0.474577730000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 45 coordinates: [ 0.340714880000000, 0.127258625000000, 0.138179970000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 46 coordinates: [ 0.340714880000000, 0.627258625000000, 0.138179970000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 47 coordinates: [ 0.340714880000000, 0.372741375000000, 0.638179970000000 ] mass: 32.065000 reduced_to: 23 - symbol: S # 48 coordinates: [ 0.340714880000000, 0.872741375000000, 0.638179970000000 ] mass: 32.065000 reduced_to: 23 - symbol: Ge # 49 coordinates: [ 0.096779210000000, 0.385230750000000, 0.890279540000000 ] mass: 72.640000 reduced_to: 49 - symbol: Ge # 50 coordinates: [ 0.096779210000000, 0.885230750000000, 0.890279540000000 ] mass: 72.640000 reduced_to: 49 - symbol: Ge # 51 coordinates: [ 0.096779210000000, 0.114769250000000, 0.390279540000000 ] mass: 72.640000 reduced_to: 51 - symbol: Ge # 52 coordinates: [ 0.096779210000000, 0.614769250000000, 0.390279540000000 ] mass: 72.640000 reduced_to: 51 - symbol: Ge # 53 coordinates: [ 0.596779210000000, 0.135230750000000, 0.890279540000000 ] mass: 72.640000 reduced_to: 49 - symbol: Ge # 54 coordinates: [ 0.596779210000000, 0.635230750000000, 0.890279540000000 ] mass: 72.640000 reduced_to: 49 - symbol: Ge # 55 coordinates: [ 0.596779210000000, 0.364769250000000, 0.390279540000000 ] mass: 72.640000 reduced_to: 51 - symbol: Ge # 56 coordinates: [ 0.596779210000000, 0.864769250000000, 0.390279540000000 ] mass: 72.640000 reduced_to: 51 - symbol: Cd # 57 coordinates: [ 0.030300650000000, 0.348756545000000, 0.301199210000000 ] mass: 112.411000 reduced_to: 57 - symbol: Cd # 58 coordinates: [ 0.030300650000000, 0.848756545000000, 0.301199210000000 ] mass: 112.411000 reduced_to: 57 - symbol: Cd # 59 coordinates: [ 0.030300650000000, 0.151243455000000, 0.801199210000000 ] mass: 112.411000 reduced_to: 59 - symbol: Cd # 60 coordinates: [ 0.030300650000000, 0.651243455000000, 0.801199210000000 ] mass: 112.411000 reduced_to: 59 - symbol: Cd # 61 coordinates: [ 0.661530280000000, 0.290713940000000, 0.143589700000000 ] mass: 112.411000 reduced_to: 61 - symbol: Cd # 62 coordinates: [ 0.661530280000000, 0.790713940000000, 0.143589700000000 ] mass: 112.411000 reduced_to: 61 - symbol: Cd # 63 coordinates: [ 0.161530280000000, 0.459286060000000, 0.643589700000000 ] mass: 112.411000 reduced_to: 63 - symbol: Cd # 64 coordinates: [ 0.161530280000000, 0.959286060000000, 0.643589700000000 ] mass: 112.411000 reduced_to: 63 - symbol: Cd # 65 coordinates: [ 0.347898420000000, 0.056123360000000, 0.953371360000000 ] mass: 112.411000 reduced_to: 65 - symbol: Cd # 66 coordinates: [ 0.347898420000000, 0.556123360000000, 0.953371360000000 ] mass: 112.411000 reduced_to: 65 - symbol: Cd # 67 coordinates: [ 0.847898420000000, 0.193876640000000, 0.453371360000000 ] mass: 112.411000 reduced_to: 67 - symbol: Cd # 68 coordinates: [ 0.847898420000000, 0.693876640000000, 0.453371360000000 ] mass: 112.411000 reduced_to: 67 - symbol: Cd # 69 coordinates: [ 0.819267910000000, 0.053747650000000, 0.140268960000000 ] mass: 112.411000 reduced_to: 69 - symbol: Cd # 70 coordinates: [ 0.819267910000000, 0.553747650000000, 0.140268960000000 ] mass: 112.411000 reduced_to: 69 - symbol: Cd # 71 coordinates: [ 0.319267910000000, 0.196252350000000, 0.640268960000000 ] mass: 112.411000 reduced_to: 71 - symbol: Cd # 72 coordinates: [ 0.319267910000000, 0.696252350000000, 0.640268960000000 ] mass: 112.411000 reduced_to: 71 - symbol: Cd # 73 coordinates: [ 0.530300650000000, 0.098756545000000, 0.301199210000000 ] mass: 112.411000 reduced_to: 57 - symbol: Cd # 74 coordinates: [ 0.530300650000000, 0.598756545000000, 0.301199210000000 ] mass: 112.411000 reduced_to: 57 - symbol: Cd # 75 coordinates: [ 0.530300650000000, 0.401243455000000, 0.801199210000000 ] mass: 112.411000 reduced_to: 59 - symbol: Cd # 76 coordinates: [ 0.530300650000000, 0.901243455000000, 0.801199210000000 ] mass: 112.411000 reduced_to: 59 - symbol: Cd # 77 coordinates: [ 0.161530280000000, 0.040713940000000, 0.143589700000000 ] mass: 112.411000 reduced_to: 61 - symbol: Cd # 78 coordinates: [ 0.161530280000000, 0.540713940000000, 0.143589700000000 ] mass: 112.411000 reduced_to: 61 - symbol: Cd # 79 coordinates: [ 0.661530280000000, 0.209286060000000, 0.643589700000000 ] mass: 112.411000 reduced_to: 63 - symbol: Cd # 80 coordinates: [ 0.661530280000000, 0.709286060000000, 0.643589700000000 ] mass: 112.411000 reduced_to: 63 - symbol: Cd # 81 coordinates: [ 0.847898420000000, 0.306123360000000, 0.953371360000000 ] mass: 112.411000 reduced_to: 65 - symbol: Cd # 82 coordinates: [ 0.847898420000000, 0.806123360000000, 0.953371360000000 ] mass: 112.411000 reduced_to: 65 - symbol: Cd # 83 coordinates: [ 0.347898420000000, 0.443876640000000, 0.453371360000000 ] mass: 112.411000 reduced_to: 67 - symbol: Cd # 84 coordinates: [ 0.347898420000000, 0.943876640000000, 0.453371360000000 ] mass: 112.411000 reduced_to: 67 - symbol: Cd # 85 coordinates: [ 0.319267910000000, 0.303747650000000, 0.140268960000000 ] mass: 112.411000 reduced_to: 69 - symbol: Cd # 86 coordinates: [ 0.319267910000000, 0.803747650000000, 0.140268960000000 ] mass: 112.411000 reduced_to: 69 - symbol: Cd # 87 coordinates: [ 0.819267910000000, 0.446252350000000, 0.640268960000000 ] mass: 112.411000 reduced_to: 71 - symbol: Cd # 88 coordinates: [ 0.819267910000000, 0.946252350000000, 0.640268960000000 ] mass: 112.411000 reduced_to: 71displacements:- atom: 1 displacement: [ 0.0099999983939046, 0.0000000000000000, 0.0000056676190151 ] forces: - [ -0.0696440100000000, 0.0112401800000000, -0.0016337100000000 ] - [ -0.0028343700000000, 0.0021598600000000, 0.0020211600000000 ] - [ -0.0025143300000000, -0.0022112800000000, 0.0018506000000000 ] - [ -0.0022979800000000, -0.0023994400000000, 0.0013276400000000 ] - [ -0.0018516300000000, -0.0031309200000000, 0.0010526500000000 ] - [ -0.0016824400000000, -0.0032267600000000, 0.0012171000000000 ] - [ 0.0046114200000000, 0.0027698700000000, 0.0000818400000000 ] - [ -0.0013379400000000, 0.0032104600000000, 0.0010272600000000 ] - [ -0.0140798200000000, 0.0188353200000000, -0.0232254100000000 ] - [ -0.0157428900000000, 0.0208448200000000, -0.0267830800000000 ] - [ -0.0132709900000000, -0.0206672700000000, -0.0255343800000000 ] - [ -0.0140319400000000, -0.0190487300000000, -0.0232969500000000 ] - [ -0.0044983600000000, 0.0044167300000000, 0.0011569900000000 ] - [ -0.0042977300000000, 0.0041994800000000, 0.0011043000000000 ] - [ -0.0042355800000000, -0.0045114200000000, 0.0011626400000000 ] - [ -0.0042654100000000, -0.0045225500000000, 0.0012246700000000 ] - [ 0.0188092700000000, 0.0219738600000000, 0.0274509400000000 ] - [ 0.0186471000000000, 0.0211919300000000, 0.0283730800000000 ] - [ 0.0170647900000000, -0.0232104700000000, 0.0237366700000000 ] - [ 0.0186381600000000, -0.0213058800000000, 0.0284682900000000 ] - [ 0.0028970900000000, 0.0019778200000000, -0.0000527200000000 ] - [ 0.0036874200000000, 0.0056950600000000, 0.0003697200000000 ] - [ 0.0022884300000000, -0.0035445800000000, -0.0007048300000000 ] - [ 0.0023130300000000, -0.0037513300000000, -0.0005334700000000 ] - [ -0.0021278300000000, 0.0021439100000000, 0.0021583700000000 ] - [ -0.0021276100000000, 0.0022035000000000, 0.0021076700000000 ] - [ -0.0017691200000000, -0.0020038600000000, 0.0034841400000000 ] - [ -0.0024506200000000, -0.0022483100000000, 0.0021993600000000 ] - [ -0.0016159600000000, -0.0032436500000000, 0.0013490100000000 ] - [ -0.0016830500000000, -0.0032339700000000, 0.0013433300000000 ] - [ -0.0013871500000000, 0.0040793400000000, 0.0012655900000000 ] - [ 0.0000134200000000, 0.0004041800000000, 0.0009023800000000 ] - [ -0.0135366700000000, 0.0187982100000000, -0.0234659200000000 ] - [ -0.0138653400000000, 0.0188281700000000, -0.0230522900000000 ] - [ -0.0137272500000000, -0.0188741300000000, -0.0229225300000000 ] - [ -0.0138216700000000, -0.0189691400000000, -0.0229442500000000 ] - [ -0.0028426500000000, 0.0035682100000000, 0.0063685500000000 ] - [ -0.0043372400000000, 0.0044341800000000, 0.0015630300000000 ] - [ -0.0020190100000000, -0.0047524000000000, 0.0102209400000000 ] - [ -0.0045070900000000, -0.0043890800000000, 0.0013932000000000 ] - [ 0.0193637500000000, 0.0212685800000000, 0.0285577000000000 ] - [ 0.0189768700000000, 0.0212922800000000, 0.0285748500000000 ] - [ 0.0189455300000000, -0.0213557500000000, 0.0285200600000000 ] - [ 0.0194591800000000, -0.0214552900000000, 0.0283795000000000 ] - [ 0.0067956500000000, 0.0035055000000000, -0.0013566400000000 ] - [ 0.0025816400000000, 0.0034628000000000, -0.0006579600000000 ] - [ 0.0022150000000000, -0.0034781000000000, -0.0003999600000000 ] - [ 0.0021439600000000, -0.0039072400000000, -0.0003684800000000 ] - [ -0.0025681400000000, -0.0006810600000000, -0.0021329700000000 ] - [ -0.0030732200000000, 0.0003651800000000, -0.0020009400000000 ] - [ 0.0088587200000000, -0.0003474000000000, 0.0027149900000000 ] - [ -0.0023412500000000, 0.0008848500000000, -0.0023253300000000 ] - [ -0.0037785800000000, -0.0012693400000000, -0.0032293900000000 ] - [ -0.0028748000000000, -0.0007781700000000, -0.0024680900000000 ] - [ -0.0029514800000000, 0.0008431400000000, -0.0022706100000000 ] - [ -0.0029210400000000, 0.0009620800000000, -0.0022255800000000 ] - [ 0.0047437600000000, 0.0026963400000000, -0.0084177300000000 ] - [ 0.0049669700000000, 0.0017885200000000, -0.0084249000000000 ] - [ 0.0037328800000000, -0.0025503800000000, -0.0080984800000000 ] - [ 0.0036067100000000, -0.0019357800000000, -0.0083605900000000 ] - [ -0.0015377100000000, -0.0031485400000000, -0.0006331200000000 ] - [ -0.0019768300000000, -0.0038706100000000, 0.0000578800000000 ] - [ -0.0008261600000000, 0.0040246900000000, 0.0001431800000000 ] - [ -0.0005169800000000, 0.0038939800000000, 0.0010483100000000 ] - [ 0.0006997200000000, -0.0009494800000000, 0.0020913500000000 ] - [ 0.0009298300000000, -0.0014260400000000, 0.0013128800000000 ] - [ 0.0006516000000000, 0.0018367200000000, 0.0023132000000000 ] - [ 0.0011343300000000, 0.0015524100000000, 0.0013186100000000 ] - [ 0.0171679900000000, 0.0078531700000000, 0.0020541200000000 ] - [ 0.0006095300000000, -0.0037358700000000, 0.0002172600000000 ] - [ 0.0014012300000000, 0.0029920100000000, -0.0014500300000000 ] - [ 0.0004703700000000, 0.0043906500000000, 0.0000314100000000 ] - [ 0.0010822000000000, 0.0013956300000000, -0.0088565500000000 ] - [ 0.0032907700000000, 0.0021256900000000, -0.0084561600000000 ] - [ 0.0034292400000000, -0.0020450500000000, -0.0085149200000000 ] - [ 0.0034923900000000, -0.0018841700000000, -0.0085588800000000 ] - [ 0.0218749200000000, -0.0202053500000000, -0.0042935600000000 ] - [ -0.0007837500000000, -0.0040150900000000, 0.0002354600000000 ] - [ -0.0012941900000000, 0.0036886200000000, -0.0001738500000000 ] - [ -0.0010723600000000, 0.0038714100000000, -0.0001476600000000 ] - [ 0.0014232800000000, -0.0013422900000000, 0.0009906200000000 ] - [ 0.0016187700000000, -0.0014874300000000, 0.0005959300000000 ] - [ 0.0009675100000000, 0.0014387800000000, 0.0009850500000000 ] - [ 0.0004551900000000, 0.0027221600000000, 0.0005876500000000 ] - [ 0.0001550800000000, -0.0052741600000000, 0.0002719000000000 ] - [ -0.0003148600000000, -0.0039824500000000, 0.0006683900000000 ] - [ 0.0004878000000000, 0.0043518000000000, 0.0001289700000000 ] - [ 0.0005324600000000, 0.0041881300000000, 0.0001915200000000 ]- atom: 1 displacement: [ -0.0099999983939046, 0.0000000000000000, -0.0000056676190151 ] forces: - [ 0.0645819100000000, -0.0054742900000000, 0.0068489200000000 ] - [ -0.0021924700000000, 0.0022562600000000, 0.0021829100000000 ] - [ -0.0025134500000000, -0.0022046400000000, 0.0023466600000000 ] - [ -0.0027299500000000, -0.0020133500000000, 0.0028730400000000 ] - [ -0.0014662500000000, -0.0032282400000000, 0.0014309700000000 ] - [ -0.0016343300000000, -0.0031306900000000, 0.0012669700000000 ] - [ -0.0080208100000000, 0.0035992800000000, 0.0024328800000000 ] - [ -0.0019789300000000, 0.0031474300000000, 0.0014595700000000 ] - [ -0.0139170000000000, 0.0190683200000000, -0.0230691000000000 ] - [ -0.0122518500000000, 0.0170564900000000, -0.0195184300000000 ] - [ -0.0147324400000000, -0.0172339700000000, -0.0207471800000000 ] - [ -0.0139648500000000, -0.0188582300000000, -0.0229988800000000 ] - [ -0.0043327500000000, 0.0043537000000000, 0.0014163700000000 ] - [ -0.0045365900000000, 0.0045693000000000, 0.0014691100000000 ] - [ -0.0045943000000000, -0.0042569100000000, 0.0014137300000000 ] - [ -0.0045656500000000, -0.0042463400000000, 0.0013505500000000 ] - [ 0.0187798900000000, 0.0206912500000000, 0.0295246900000000 ] - [ 0.0189565200000000, 0.0214765900000000, 0.0286077800000000 ] - [ 0.0205783000000000, -0.0194567200000000, 0.0332139400000000 ] - [ 0.0189658900000000, -0.0213601100000000, 0.0285121400000000 ] - [ 0.0017431000000000, 0.0053635600000000, -0.0009441200000000 ] - [ 0.0009400100000000, 0.0016176300000000, -0.0013740200000000 ] - [ 0.0023528700000000, -0.0037823300000000, -0.0002911400000000 ] - [ 0.0023255200000000, -0.0035750500000000, -0.0004634600000000 ] - [ -0.0029003900000000, 0.0022731800000000, 0.0020443200000000 ] - [ -0.0029001600000000, 0.0022084400000000, 0.0020940600000000 ] - [ -0.0032558200000000, -0.0024128400000000, 0.0007186500000000 ] - [ -0.0025764800000000, -0.0021661100000000, 0.0020030200000000 ] - [ -0.0016996600000000, -0.0031143500000000, 0.0011349700000000 ] - [ -0.0016315100000000, -0.0031231600000000, 0.0011415000000000 ] - [ -0.0019345100000000, 0.0022814200000000, 0.0012193300000000 ] - [ -0.0033217700000000, 0.0059335700000000, 0.0015800400000000 ] - [ -0.0144637800000000, 0.0191128100000000, -0.0228207000000000 ] - [ -0.0141303700000000, 0.0190774600000000, -0.0232416500000000 ] - [ -0.0142687700000000, -0.0190311100000000, -0.0233726600000000 ] - [ -0.0141750400000000, -0.0189363300000000, -0.0233508400000000 ] - [ -0.0059736400000000, 0.0052017700000000, -0.0038086500000000 ] - [ -0.0044955700000000, 0.0043359000000000, 0.0010085800000000 ] - [ -0.0067718000000000, -0.0040221100000000, -0.0075701900000000 ] - [ -0.0043270600000000, -0.0043793200000000, 0.0011814500000000 ] - [ 0.0182452600000000, 0.0213957600000000, 0.0284275600000000 ] - [ 0.0186266100000000, 0.0213752900000000, 0.0284062400000000 ] - [ 0.0186589200000000, -0.0213106600000000, 0.0284612200000000 ] - [ 0.0181424800000000, -0.0212147700000000, 0.0286028300000000 ] - [ -0.0020941500000000, 0.0038263900000000, 0.0003452300000000 ] - [ 0.0020561500000000, 0.0038639700000000, -0.0003403000000000 ] - [ 0.0024214800000000, -0.0038473400000000, -0.0005973400000000 ] - [ 0.0024928700000000, -0.0034203300000000, -0.0006293300000000 ] - [ -0.0027752300000000, -0.0008808800000000, -0.0024617200000000 ] - [ -0.0022693700000000, -0.0019312800000000, -0.0025985400000000 ] - [ -0.0142949400000000, 0.0019411600000000, -0.0077184600000000 ] - [ -0.0030060300000000, 0.0006815600000000, -0.0022771000000000 ] - [ -0.0015788700000000, -0.0002858700000000, -0.0013723600000000 ] - [ -0.0024748100000000, -0.0007818400000000, -0.0021327300000000 ] - [ -0.0024016000000000, 0.0007174300000000, -0.0023314800000000 ] - [ -0.0024316700000000, 0.0006072400000000, -0.0023759100000000 ] - [ 0.0023874500000000, 0.0013868900000000, -0.0084308000000000 ] - [ 0.0021698600000000, 0.0022772500000000, -0.0084246500000000 ] - [ 0.0034056300000000, -0.0015157100000000, -0.0087477200000000 ] - [ 0.0035313700000000, -0.0021356700000000, -0.0084872200000000 ] - [ -0.0005221900000000, -0.0045247300000000, 0.0005919000000000 ] - [ -0.0000817700000000, -0.0037986500000000, -0.0001052200000000 ] - [ -0.0012304900000000, 0.0036421400000000, -0.0001899700000000 ] - [ -0.0015366300000000, 0.0037717200000000, -0.0010917200000000 ] - [ 0.0015160400000000, -0.0019794700000000, 0.0003059400000000 ] - [ 0.0012859900000000, -0.0015106900000000, 0.0010772200000000 ] - [ 0.0015537000000000, 0.0010949600000000, 0.0000630100000000 ] - [ 0.0010795700000000, 0.0013823700000000, 0.0010697500000000 ] - [ -0.0169433900000000, -0.0169436900000000, -0.0022159900000000 ] - [ 0.0003775300000000, -0.0047608000000000, -0.0000626100000000 ] - [ -0.0004093900000000, 0.0054990900000000, 0.0016033800000000 ] - [ 0.0005182100000000, 0.0041016000000000, 0.0001243900000000 ] - [ 0.0060692700000000, 0.0026844400000000, -0.0079991200000000 ] - [ 0.0038477900000000, 0.0019423200000000, -0.0083916500000000 ] - [ 0.0037088800000000, -0.0020255100000000, -0.0083320300000000 ] - [ 0.0036462100000000, -0.0021858700000000, -0.0082882900000000 ] - [ -0.0231237300000000, 0.0117517600000000, 0.0039070500000000 ] - [ -0.0012744300000000, -0.0036522500000000, -0.0002819000000000 ] - [ -0.0007672800000000, 0.0039796100000000, 0.0001228600000000 ] - [ -0.0009870100000000, 0.0037940600000000, 0.0000996700000000 ] - [ 0.0007998100000000, -0.0015978300000000, 0.0014078800000000 ] - [ 0.0005944900000000, -0.0014505900000000, 0.0017940300000000 ] - [ 0.0012491000000000, 0.0014956800000000, 0.0014051400000000 ] - [ 0.0017619000000000, 0.0002178800000000, 0.0018036300000000 ] - [ 0.0008345500000000, -0.0032256100000000, -0.0001149800000000 ] - [ 0.0013052600000000, -0.0045131900000000, -0.0005120900000000 ] - [ 0.0004980200000000, 0.0041405600000000, 0.0000254700000000 ] - [ 0.0004525300000000, 0.0043039300000000, -0.0000383100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0057707900000000, -0.0424516300000000, 0.0112270500000000 ] - [ -0.0025625000000000, 0.0028526500000000, 0.0021876500000000 ] - [ -0.0025099000000000, -0.0020010100000000, 0.0024486600000000 ] - [ -0.0023213000000000, -0.0018042000000000, 0.0015564500000000 ] - [ -0.0018068500000000, -0.0036823800000000, 0.0012637600000000 ] - [ -0.0016729100000000, -0.0029151700000000, 0.0012931900000000 ] - [ -0.0019011000000000, 0.0027683700000000, 0.0015434300000000 ] - [ -0.0015557700000000, 0.0037636900000000, 0.0011468100000000 ] - [ -0.0138806300000000, 0.0196270000000000, -0.0230660300000000 ] - [ -0.0132555700000000, 0.0205288300000000, -0.0305425700000000 ] - [ -0.0150844300000000, -0.0182904000000000, -0.0204588900000000 ] - [ -0.0140028100000000, -0.0185580700000000, -0.0230359600000000 ] - [ -0.0043702900000000, 0.0044691800000000, 0.0012935100000000 ] - [ -0.0045738900000000, 0.0042902600000000, 0.0013461300000000 ] - [ -0.0047529000000000, -0.0043475500000000, 0.0012987300000000 ] - [ -0.0042270500000000, -0.0044016000000000, 0.0012860700000000 ] - [ 0.0195385800000000, 0.0215406300000000, 0.0273499900000000 ] - [ 0.0188019700000000, 0.0216499800000000, 0.0284063900000000 ] - [ 0.0165432000000000, -0.0211910900000000, 0.0373390500000000 ] - [ 0.0187277200000000, -0.0206766200000000, 0.0284655400000000 ] - [ 0.0002501400000000, 0.0064195800000000, -0.0018289800000000 ] - [ 0.0042318300000000, 0.0070273200000000, 0.0005108000000000 ] - [ 0.0022086300000000, -0.0041308000000000, -0.0002028300000000 ] - [ 0.0023079100000000, -0.0033428900000000, -0.0005322300000000 ] - [ -0.0025157100000000, 0.0021906500000000, 0.0021200000000000 ] - [ -0.0025779800000000, 0.0021937800000000, 0.0020356700000000 ] - [ -0.0027203600000000, -0.0023380500000000, 0.0019454000000000 ] - [ -0.0024726300000000, -0.0020270800000000, 0.0020938100000000 ] - [ -0.0016772600000000, -0.0032602900000000, 0.0012513700000000 ] - [ -0.0015955700000000, -0.0031207600000000, 0.0013230500000000 ] - [ 0.0001801600000000, 0.0051295200000000, 0.0012040700000000 ] - [ -0.0043519500000000, 0.0066089800000000, 0.0007440500000000 ] - [ -0.0140613800000000, 0.0187607000000000, -0.0230607100000000 ] - [ -0.0140211700000000, 0.0191912000000000, -0.0232701600000000 ] - [ -0.0141055300000000, -0.0191779500000000, -0.0232606000000000 ] - [ -0.0138188900000000, -0.0186010200000000, -0.0229198600000000 ] - [ -0.0046224100000000, 0.0034372100000000, 0.0015575800000000 ] - [ -0.0043039200000000, 0.0050629100000000, 0.0012915900000000 ] - [ -0.0036061800000000, -0.0068552900000000, 0.0013549400000000 ] - [ -0.0044781600000000, -0.0039242900000000, 0.0014466100000000 ] - [ 0.0188179000000000, 0.0211147800000000, 0.0285535300000000 ] - [ 0.0186565400000000, 0.0216399900000000, 0.0283756900000000 ] - [ 0.0188698100000000, -0.0210769000000000, 0.0285452900000000 ] - [ 0.0188028700000000, -0.0216839000000000, 0.0284051700000000 ] - [ 0.0027325000000000, 0.0038522400000000, -0.0004230000000000 ] - [ 0.0023530900000000, 0.0043558000000000, -0.0003985100000000 ] - [ 0.0025212600000000, -0.0035821000000000, -0.0003328800000000 ] - [ 0.0020972600000000, -0.0036801000000000, -0.0007095200000000 ] - [ -0.0028524200000000, -0.0007329900000000, -0.0028939500000000 ] - [ -0.0021937900000000, -0.0011921800000000, -0.0017913600000000 ] - [ -0.0049036700000000, 0.0144340100000000, -0.0206156000000000 ] - [ -0.0027404400000000, -0.0001274000000000, -0.0022837400000000 ] - [ -0.0023971900000000, -0.0003709400000000, -0.0024503600000000 ] - [ -0.0027516000000000, -0.0012751000000000, -0.0023377600000000 ] - [ -0.0023842700000000, 0.0008891800000000, -0.0023819800000000 ] - [ -0.0028924400000000, 0.0009485400000000, -0.0020696600000000 ] - [ 0.0042655500000000, -0.0011124900000000, -0.0095269700000000 ] - [ 0.0033253700000000, 0.0004268900000000, -0.0079696600000000 ] - [ 0.0036163900000000, -0.0012184300000000, -0.0087426500000000 ] - [ 0.0036055600000000, -0.0026180000000000, -0.0084327400000000 ] - [ -0.0003163500000000, -0.0034253200000000, 0.0000420200000000 ] - [ -0.0021269100000000, -0.0043462200000000, 0.0000824300000000 ] - [ -0.0011942400000000, 0.0033541300000000, -0.0002666100000000 ] - [ -0.0000255900000000, 0.0038936700000000, 0.0014387600000000 ] - [ 0.0011745100000000, -0.0012015800000000, 0.0012050400000000 ] - [ 0.0011675900000000, -0.0016774600000000, 0.0011053200000000 ] - [ 0.0027142300000000, 0.0022341900000000, 0.0011285100000000 ] - [ 0.0010685600000000, 0.0011705100000000, 0.0012357000000000 ] - [ 0.0111850600000000, 0.0042686500000000, 0.0021785700000000 ] - [ 0.0004287600000000, -0.0056112500000000, -0.0000683600000000 ] - [ -0.0000063700000000, 0.0046467000000000, -0.0001084500000000 ] - [ 0.0004729600000000, 0.0039602000000000, 0.0000228200000000 ] - [ 0.0037989100000000, 0.0023602800000000, -0.0084752500000000 ] - [ 0.0034568300000000, 0.0017239300000000, -0.0083791500000000 ] - [ 0.0035005300000000, -0.0021609500000000, -0.0084912100000000 ] - [ 0.0036062900000000, -0.0018248000000000, -0.0083519900000000 ] - [ -0.0182391400000000, 0.0098579300000000, 0.0041099100000000 ] - [ -0.0009505200000000, -0.0047052900000000, 0.0003601900000000 ] - [ -0.0010415000000000, 0.0039269000000000, -0.0000355800000000 ] - [ -0.0010187300000000, 0.0036241100000000, 0.0000570500000000 ] - [ 0.0007261700000000, -0.0009305600000000, 0.0016064000000000 ] - [ 0.0013217900000000, -0.0019305600000000, 0.0004221900000000 ] - [ 0.0009699200000000, 0.0011287000000000, 0.0005553800000000 ] - [ 0.0014977800000000, 0.0023951400000000, 0.0021908300000000 ] - [ 0.0000007500000000, -0.0038813500000000, 0.0004762400000000 ] - [ 0.0013382600000000, -0.0048051200000000, -0.0007967300000000 ] - [ 0.0006766300000000, 0.0039242300000000, 0.0000236000000000 ] - [ 0.0001116000000000, 0.0046259700000000, 0.0000605300000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0109322500000000, 0.0466993000000000, -0.0066003800000000 ] - [ -0.0024659900000000, 0.0015642000000000, 0.0020165700000000 ] - [ -0.0025160800000000, -0.0024139500000000, 0.0017482400000000 ] - [ -0.0027079000000000, -0.0026061700000000, 0.0026501500000000 ] - [ -0.0015086000000000, -0.0026771000000000, 0.0012236400000000 ] - [ -0.0016438200000000, -0.0034415500000000, 0.0011909200000000 ] - [ -0.0013977800000000, 0.0035812400000000, 0.0009346400000000 ] - [ -0.0017619200000000, 0.0025951600000000, 0.0013399200000000 ] - [ -0.0141143100000000, 0.0182750800000000, -0.0232315500000000 ] - [ -0.0147683300000000, 0.0173661300000000, -0.0157105200000000 ] - [ -0.0129240100000000, -0.0195945200000000, -0.0258334200000000 ] - [ -0.0139937600000000, -0.0193437500000000, -0.0232590500000000 ] - [ -0.0044607500000000, 0.0042992800000000, 0.0012801600000000 ] - [ -0.0042615400000000, 0.0044811900000000, 0.0012276200000000 ] - [ -0.0040817100000000, -0.0044236200000000, 0.0012748700000000 ] - [ -0.0046059000000000, -0.0043648600000000, 0.0012893200000000 ] - [ 0.0180683200000000, 0.0211281500000000, 0.0296281900000000 ] - [ 0.0188022400000000, 0.0210204900000000, 0.0285740000000000 ] - [ 0.0210357200000000, -0.0214949100000000, 0.0197210100000000 ] - [ 0.0188744000000000, -0.0219858400000000, 0.0285176400000000 ] - [ 0.0043450600000000, 0.0009514200000000, 0.0008059400000000 ] - [ 0.0003958000000000, 0.0002669300000000, -0.0015129900000000 ] - [ 0.0024269600000000, -0.0031984800000000, -0.0007922900000000 ] - [ 0.0023299400000000, -0.0039824700000000, -0.0004652800000000 ] - [ -0.0025108100000000, 0.0022197100000000, 0.0020833600000000 ] - [ -0.0024488000000000, 0.0022228200000000, 0.0021675100000000 ] - [ -0.0023115400000000, -0.0020774400000000, 0.0022473900000000 ] - [ -0.0025547400000000, -0.0023864500000000, 0.0021083400000000 ] - [ -0.0016396200000000, -0.0031001800000000, 0.0012331600000000 ] - [ -0.0017195900000000, -0.0032349200000000, 0.0011613100000000 ] - [ -0.0034594700000000, 0.0012615600000000, 0.0012838200000000 ] - [ 0.0010595600000000, -0.0002918300000000, 0.0017586400000000 ] - [ -0.0139337000000000, 0.0191402200000000, -0.0232345700000000 ] - [ -0.0139743200000000, 0.0187165300000000, -0.0230230100000000 ] - [ -0.0138918700000000, -0.0187323200000000, -0.0230348200000000 ] - [ -0.0141786800000000, -0.0193030500000000, -0.0233754300000000 ] - [ -0.0042167600000000, 0.0053212300000000, 0.0010412700000000 ] - [ -0.0045289300000000, 0.0037087700000000, 0.0012801300000000 ] - [ -0.0052374000000000, -0.0019212500000000, 0.0011823500000000 ] - [ -0.0043565000000000, -0.0048417100000000, 0.0011305800000000 ] - [ 0.0187857400000000, 0.0215520700000000, 0.0284304400000000 ] - [ 0.0189443100000000, 0.0210282800000000, 0.0286032400000000 ] - [ 0.0187362800000000, -0.0215904600000000, 0.0284372000000000 ] - [ 0.0187998100000000, -0.0209809900000000, 0.0285763400000000 ] - [ 0.0018880500000000, 0.0034665500000000, -0.0005725800000000 ] - [ 0.0022865300000000, 0.0029735100000000, -0.0006005100000000 ] - [ 0.0021172000000000, -0.0037462900000000, -0.0006641700000000 ] - [ 0.0025391300000000, -0.0036436700000000, -0.0002884000000000 ] - [ -0.0025013500000000, -0.0008262000000000, -0.0017064800000000 ] - [ -0.0031492800000000, -0.0003872500000000, -0.0028072500000000 ] - [ -0.0004654100000000, -0.0126149300000000, 0.0157750800000000 ] - [ -0.0026062800000000, 0.0016925100000000, -0.0023212600000000 ] - [ -0.0029531400000000, -0.0011885500000000, -0.0021503000000000 ] - [ -0.0025976500000000, -0.0002866400000000, -0.0022620500000000 ] - [ -0.0029653900000000, 0.0006833800000000, -0.0022207900000000 ] - [ -0.0024592000000000, 0.0006142700000000, -0.0025324700000000 ] - [ 0.0028756600000000, 0.0052394900000000, -0.0072974200000000 ] - [ 0.0038137700000000, 0.0036395900000000, -0.0088810000000000 ] - [ 0.0035215200000000, -0.0028431300000000, -0.0081090400000000 ] - [ 0.0035319500000000, -0.0014558400000000, -0.0084137600000000 ] - [ -0.0017340500000000, -0.0042322900000000, -0.0000922600000000 ] - [ 0.0000713000000000, -0.0033233000000000, -0.0001305900000000 ] - [ -0.0008656400000000, 0.0043108200000000, 0.0002187200000000 ] - [ -0.0020336900000000, 0.0037735000000000, -0.0014834700000000 ] - [ 0.0010421000000000, -0.0017360800000000, 0.0011801600000000 ] - [ 0.0010483800000000, -0.0012587700000000, 0.0012855700000000 ] - [ -0.0004908900000000, 0.0007052700000000, 0.0012653600000000 ] - [ 0.0011457100000000, 0.0017630300000000, 0.0011524900000000 ] - [ -0.0104969800000000, -0.0127517800000000, -0.0021325700000000 ] - [ 0.0005570400000000, -0.0028919200000000, 0.0002206500000000 ] - [ 0.0009877600000000, 0.0038540600000000, 0.0002710700000000 ] - [ 0.0005150100000000, 0.0045297300000000, 0.0001312200000000 ] - [ 0.0033371800000000, 0.0017048700000000, -0.0083675300000000 ] - [ 0.0036806500000000, 0.0023449000000000, -0.0084693300000000 ] - [ 0.0036368500000000, -0.0019071700000000, -0.0083550300000000 ] - [ 0.0035319500000000, -0.0022471400000000, -0.0084948900000000 ] - [ 0.0167052700000000, -0.0176452000000000, -0.0043425100000000 ] - [ -0.0011061700000000, -0.0029682200000000, -0.0004030100000000 ] - [ -0.0010163100000000, 0.0037406200000000, -0.0000120600000000 ] - [ -0.0010406900000000, 0.0040403000000000, -0.0001050200000000 ] - [ 0.0014861200000000, -0.0020043700000000, 0.0007859100000000 ] - [ 0.0008898700000000, -0.0010093700000000, 0.0019690700000000 ] - [ 0.0012441600000000, 0.0018063700000000, 0.0018249100000000 ] - [ 0.0007184400000000, 0.0005320700000000, 0.0001952100000000 ] - [ 0.0009797600000000, -0.0046015800000000, -0.0003172800000000 ] - [ -0.0003518900000000, -0.0036926700000000, 0.0009582500000000 ] - [ 0.0003119100000000, 0.0045682300000000, 0.0001320500000000 ] - [ 0.0008740100000000, 0.0038673400000000, 0.0000927200000000 ]- atom: 1 displacement: [ -0.0034429113111456, 0.0000000000000000, 0.0093886293836526 ] forces: - [ 0.0161615700000000, 0.0082348300000000, -0.1281815800000000 ] - [ -0.0024792400000000, 0.0023039700000000, 0.0018945400000000 ] - [ -0.0027459900000000, -0.0025334400000000, 0.0035954600000000 ] - [ -0.0033147000000000, -0.0016312900000000, 0.0044832000000000 ] - [ -0.0018369700000000, -0.0032999600000000, 0.0020545000000000 ] - [ -0.0017247900000000, -0.0031304100000000, 0.0014443900000000 ] - [ -0.0040688500000000, 0.0034388300000000, 0.0013817100000000 ] - [ -0.0016175200000000, 0.0032648200000000, 0.0010731300000000 ] - [ -0.0138629600000000, 0.0192793800000000, -0.0231603400000000 ] - [ -0.0137097600000000, 0.0139332900000000, -0.0156274400000000 ] - [ -0.0165926200000000, -0.0144649500000000, -0.0177569700000000 ] - [ -0.0140674100000000, -0.0191113400000000, -0.0228040400000000 ] - [ -0.0045916400000000, 0.0040591200000000, 0.0014282500000000 ] - [ -0.0047782700000000, 0.0046471700000000, 0.0014160000000000 ] - [ -0.0047731300000000, -0.0042581900000000, 0.0012770100000000 ] - [ -0.0045954800000000, -0.0043508000000000, 0.0011980300000000 ] - [ 0.0172006900000000, 0.0185727700000000, 0.0305971200000000 ] - [ 0.0186847900000000, 0.0216608500000000, 0.0288479600000000 ] - [ 0.0169183600000000, -0.0170413600000000, 0.0381196500000000 ] - [ 0.0188822000000000, -0.0215016600000000, 0.0283797200000000 ] - [ 0.0021973500000000, 0.0038217100000000, -0.0012011300000000 ] - [ 0.0028138800000000, 0.0043337400000000, -0.0010416200000000 ] - [ 0.0020470500000000, -0.0038997600000000, 0.0001426200000000 ] - [ 0.0022750400000000, -0.0036273300000000, -0.0003891500000000 ] - [ -0.0026400200000000, 0.0021669400000000, 0.0018711400000000 ] - [ -0.0025931200000000, 0.0022253300000000, 0.0018883700000000 ] - [ -0.0014741800000000, -0.0021371300000000, 0.0037007600000000 ] - [ -0.0024429300000000, -0.0021863000000000, 0.0022023800000000 ] - [ -0.0016921800000000, -0.0033851000000000, 0.0015166800000000 ] - [ -0.0015729800000000, -0.0030864500000000, 0.0014215500000000 ] - [ -0.0013397800000000, 0.0033488900000000, 0.0008209400000000 ] - [ -0.0023538900000000, 0.0038455100000000, 0.0008277300000000 ] - [ -0.0141699100000000, 0.0190473900000000, -0.0231519100000000 ] - [ -0.0141265500000000, 0.0189033600000000, -0.0232372100000000 ] - [ -0.0136893900000000, -0.0192509600000000, -0.0231397700000000 ] - [ -0.0139646800000000, -0.0188547700000000, -0.0230091000000000 ] - [ 0.0000417300000000, 0.0033567800000000, 0.0058348600000000 ] - [ -0.0043743200000000, 0.0044993000000000, 0.0013239200000000 ] - [ -0.0015976900000000, -0.0049074900000000, 0.0040245600000000 ] - [ -0.0043095000000000, -0.0043433200000000, 0.0012435100000000 ] - [ 0.0189276300000000, 0.0215211800000000, 0.0287463400000000 ] - [ 0.0187612500000000, 0.0213337600000000, 0.0285428500000000 ] - [ 0.0187266300000000, -0.0212431400000000, 0.0284289600000000 ] - [ 0.0188655400000000, -0.0215095500000000, 0.0282917300000000 ] - [ -0.0002057400000000, 0.0038557600000000, -0.0004471100000000 ] - [ 0.0022471200000000, 0.0038233500000000, -0.0005120300000000 ] - [ 0.0026061500000000, -0.0034715200000000, -0.0001921600000000 ] - [ 0.0026587100000000, -0.0039566800000000, -0.0001209000000000 ] - [ -0.0024349200000000, 0.0004489900000000, -0.0030240300000000 ] - [ -0.0010153100000000, -0.0038342800000000, -0.0028218700000000 ] - [ -0.0009942600000000, -0.0163765400000000, 0.0897367900000000 ] - [ -0.0031346000000000, 0.0005966600000000, -0.0017541900000000 ] - [ -0.0051048300000000, -0.0010723400000000, -0.0024109400000000 ] - [ -0.0027029000000000, -0.0008637900000000, -0.0024883000000000 ] - [ -0.0023206600000000, 0.0006955500000000, -0.0019786400000000 ] - [ -0.0023938600000000, 0.0008312600000000, -0.0018300300000000 ] - [ 0.0030023900000000, 0.0014138400000000, -0.0064506900000000 ] - [ 0.0029898200000000, 0.0030703000000000, -0.0068707500000000 ] - [ 0.0040536300000000, -0.0011945100000000, -0.0096842600000000 ] - [ 0.0036431800000000, -0.0020695200000000, -0.0086838700000000 ] - [ -0.0010069800000000, -0.0039364400000000, 0.0004382000000000 ] - [ -0.0013028300000000, -0.0039811700000000, 0.0000157400000000 ] - [ -0.0010136700000000, 0.0034114600000000, -0.0003976400000000 ] - [ -0.0017718500000000, 0.0041507900000000, -0.0025963900000000 ] - [ 0.0011766700000000, -0.0015268600000000, 0.0004088800000000 ] - [ 0.0011400700000000, -0.0013423500000000, 0.0011111100000000 ] - [ 0.0033146200000000, 0.0016886200000000, 0.0010936600000000 ] - [ 0.0012753600000000, 0.0015541000000000, 0.0012138100000000 ] - [ -0.0034519700000000, -0.0057533000000000, 0.0001105600000000 ] - [ 0.0005222100000000, -0.0043060000000000, 0.0000981300000000 ] - [ -0.0000967300000000, 0.0043249400000000, -0.0012385900000000 ] - [ 0.0004902800000000, 0.0044169500000000, -0.0000212400000000 ] - [ 0.0043907600000000, 0.0021579500000000, -0.0077119800000000 ] - [ 0.0035600100000000, 0.0020171700000000, -0.0082830800000000 ] - [ 0.0033930700000000, -0.0018811000000000, -0.0087496700000000 ] - [ 0.0034230800000000, -0.0022521600000000, -0.0088129600000000 ] - [ -0.0134879800000000, 0.0053400300000000, 0.0030452800000000 ] - [ -0.0010708800000000, -0.0039434800000000, 0.0000961600000000 ] - [ -0.0009494200000000, 0.0038914300000000, -0.0004772400000000 ] - [ -0.0010270300000000, 0.0037478100000000, -0.0000976700000000 ] - [ 0.0009546500000000, -0.0004813900000000, 0.0009945700000000 ] - [ 0.0008561900000000, -0.0018039400000000, 0.0010683800000000 ] - [ 0.0010485200000000, 0.0013805400000000, 0.0013155300000000 ] - [ 0.0007462700000000, 0.0025644300000000, 0.0017950900000000 ] - [ 0.0006429200000000, -0.0034250600000000, 0.0003828900000000 ] - [ 0.0007531100000000, -0.0044145800000000, 0.0000016700000000 ] - [ 0.0006718200000000, 0.0041798500000000, -0.0001151800000000 ] - [ 0.0005225500000000, 0.0042809800000000, -0.0004743700000000 ]- atom: 1 displacement: [ 0.0034429113111456, 0.0000000000000000, -0.0093886293836526 ] forces: - [ -0.0222136000000000, -0.0027705200000000, 0.1281953200000000 ] - [ -0.0025487700000000, 0.0021105500000000, 0.0023072300000000 ] - [ -0.0022789300000000, -0.0018779500000000, 0.0005988100000000 ] - [ -0.0017123300000000, -0.0027914200000000, -0.0002875100000000 ] - [ -0.0014784000000000, -0.0030582300000000, 0.0004289400000000 ] - [ -0.0015902000000000, -0.0032265600000000, 0.0010409100000000 ] - [ 0.0007688400000000, 0.0029169200000000, 0.0010970300000000 ] - [ -0.0016968000000000, 0.0030927500000000, 0.0014100100000000 ] - [ -0.0141311800000000, 0.0186286600000000, -0.0231357100000000 ] - [ -0.0143028500000000, 0.0238822600000000, -0.0305597200000000 ] - [ -0.0113930900000000, -0.0234870200000000, -0.0285984200000000 ] - [ -0.0139286500000000, -0.0187903300000000, -0.0234872600000000 ] - [ -0.0042364400000000, 0.0047114100000000, 0.0011482800000000 ] - [ -0.0040522800000000, 0.0041204400000000, 0.0011606500000000 ] - [ -0.0040624200000000, -0.0045119600000000, 0.0012953400000000 ] - [ -0.0042383400000000, -0.0044179000000000, 0.0013748800000000 ] - [ 0.0204210300000000, 0.0241306400000000, 0.0263580300000000 ] - [ 0.0189186000000000, 0.0210043100000000, 0.0281359800000000 ] - [ 0.0206413900000000, -0.0255141800000000, 0.0190645300000000 ] - [ 0.0187221300000000, -0.0211657500000000, 0.0285997700000000 ] - [ 0.0024504800000000, 0.0034855500000000, 0.0002076200000000 ] - [ 0.0018348500000000, 0.0030032100000000, 0.0000494100000000 ] - [ 0.0025874700000000, -0.0034276200000000, -0.0011380500000000 ] - [ 0.0023613700000000, -0.0036992500000000, -0.0006088700000000 ] - [ -0.0023870900000000, 0.0022462700000000, 0.0023316100000000 ] - [ -0.0024344000000000, 0.0021892900000000, 0.0023142700000000 ] - [ -0.0035569600000000, -0.0022800400000000, 0.0004931900000000 ] - [ -0.0025839300000000, -0.0022283400000000, 0.0020011100000000 ] - [ -0.0016248800000000, -0.0029736900000000, 0.0009681100000000 ] - [ -0.0017439700000000, -0.0032713200000000, 0.0010642700000000 ] - [ -0.0019817400000000, 0.0030044500000000, 0.0016629300000000 ] - [ -0.0009662000000000, 0.0025261600000000, 0.0016516500000000 ] - [ -0.0138257600000000, 0.0188564800000000, -0.0231443300000000 ] - [ -0.0138704700000000, 0.0190026300000000, -0.0230577500000000 ] - [ -0.0143075100000000, -0.0186555300000000, -0.0231514100000000 ] - [ -0.0140309200000000, -0.0190509400000000, -0.0232827900000000 ] - [ -0.0089087200000000, 0.0054063300000000, -0.0032441800000000 ] - [ -0.0044584600000000, 0.0042687400000000, 0.0012521400000000 ] - [ -0.0071933000000000, -0.0038712500000000, -0.0014181400000000 ] - [ -0.0045228000000000, -0.0044253300000000, 0.0013298300000000 ] - [ 0.0186776500000000, 0.0211456500000000, 0.0282380800000000 ] - [ 0.0188443500000000, 0.0213331300000000, 0.0284398800000000 ] - [ 0.0188767400000000, -0.0214236100000000, 0.0285516900000000 ] - [ 0.0187394100000000, -0.0211574200000000, 0.0286884100000000 ] - [ 0.0048581700000000, 0.0034729100000000, -0.0005443500000000 ] - [ 0.0023901200000000, 0.0035034400000000, -0.0004834300000000 ] - [ 0.0020333900000000, -0.0038555800000000, -0.0008053200000000 ] - [ 0.0019814900000000, -0.0033701800000000, -0.0008758100000000 ] - [ -0.0029135100000000, -0.0020073600000000, -0.0015913700000000 ] - [ -0.0043453000000000, 0.0022832600000000, -0.0017894900000000 ] - [ -0.0037700600000000, 0.0171488400000000, -0.0904112500000000 ] - [ -0.0022197600000000, 0.0009681900000000, -0.0028433800000000 ] - [ -0.0002506900000000, -0.0004837500000000, -0.0022023500000000 ] - [ -0.0026481900000000, -0.0006962800000000, -0.0021142900000000 ] - [ -0.0030266100000000, 0.0008723600000000, -0.0026208200000000 ] - [ -0.0029540200000000, 0.0007347400000000, -0.0027687000000000 ] - [ 0.0041382700000000, 0.0026766800000000, -0.0103771300000000 ] - [ 0.0041467000000000, 0.0010008600000000, -0.0099660900000000 ] - [ 0.0030863400000000, -0.0028771100000000, -0.0071613800000000 ] - [ 0.0034950100000000, -0.0020003800000000, -0.0081634000000000 ] - [ -0.0010572500000000, -0.0037288500000000, -0.0004882900000000 ] - [ -0.0007623000000000, -0.0036879100000000, -0.0000630100000000 ] - [ -0.0010487300000000, 0.0042481800000000, 0.0003477300000000 ] - [ -0.0002940800000000, 0.0035090000000000, 0.0025423700000000 ] - [ 0.0010378800000000, -0.0014093400000000, 0.0019779300000000 ] - [ 0.0010735600000000, -0.0015950600000000, 0.0012774900000000 ] - [ -0.0010850300000000, 0.0012512500000000, 0.0013037500000000 ] - [ 0.0009416500000000, 0.0013819000000000, 0.0011779800000000 ] - [ 0.0044843000000000, -0.0027240400000000, 0.0000239500000000 ] - [ 0.0004670100000000, -0.0041809300000000, 0.0000587000000000 ] - [ 0.0010814800000000, 0.0041707500000000, 0.0013954300000000 ] - [ 0.0004963600000000, 0.0040757500000000, 0.0001768400000000 ] - [ 0.0027405900000000, 0.0019094400000000, -0.0091342500000000 ] - [ 0.0035767300000000, 0.0020516600000000, -0.0085637900000000 ] - [ 0.0037444200000000, -0.0021894800000000, -0.0080993800000000 ] - [ 0.0037150800000000, -0.0018178600000000, -0.0080367200000000 ] - [ 0.0118012900000000, -0.0133187700000000, -0.0030635200000000 ] - [ -0.0009887200000000, -0.0037235100000000, -0.0001463400000000 ] - [ -0.0011091800000000, 0.0037740600000000, 0.0004297900000000 ] - [ -0.0010311300000000, 0.0039176700000000, 0.0000502500000000 ] - [ 0.0012638600000000, -0.0024484400000000, 0.0013901300000000 ] - [ 0.0013630700000000, -0.0011317800000000, 0.0013166600000000 ] - [ 0.0011658000000000, 0.0015544600000000, 0.0010761200000000 ] - [ 0.0014684800000000, 0.0003743900000000, 0.0006000700000000 ] - [ 0.0003440900000000, -0.0050668500000000, -0.0002299300000000 ] - [ 0.0002374700000000, -0.0040792800000000, 0.0001489000000000 ] - [ 0.0003199100000000, 0.0043115300000000, 0.0002719900000000 ] - [ 0.0004691200000000, 0.0042118000000000, 0.0006319200000000 ]- atom: 5 displacement: [ 0.0099999983939046, 0.0000000000000000, 0.0000056676190151 ] forces: - [ -0.0027057100000000, 0.0020575900000000, 0.0018412000000000 ] - [ -0.0025379100000000, 0.0021928800000000, 0.0020212500000000 ] - [ -0.0022414800000000, -0.0040213400000000, 0.0025417500000000 ] - [ -0.0008482400000000, 0.0004927700000000, 0.0019756500000000 ] - [ -0.0800997300000000, -0.0064846500000000, 0.0089009300000000 ] - [ -0.0020982800000000, -0.0032054800000000, 0.0013820800000000 ] - [ -0.0016479000000000, 0.0032151100000000, 0.0016887000000000 ] - [ -0.0016058600000000, 0.0031953800000000, 0.0013157600000000 ] - [ -0.0141484100000000, 0.0189305900000000, -0.0231425700000000 ] - [ -0.0144525000000000, 0.0191653300000000, -0.0220294800000000 ] - [ -0.0113216200000000, -0.0160895900000000, -0.0262854200000000 ] - [ -0.0141335200000000, -0.0192222200000000, -0.0232832600000000 ] - [ -0.0047615800000000, 0.0042447500000000, 0.0011657200000000 ] - [ -0.0052996800000000, 0.0050653300000000, 0.0010325800000000 ] - [ -0.0042507300000000, -0.0044197100000000, 0.0014479100000000 ] - [ -0.0042088300000000, -0.0042891100000000, 0.0014489100000000 ] - [ 0.0208249200000000, 0.0202799400000000, 0.0280853800000000 ] - [ 0.0185906800000000, 0.0216992800000000, 0.0282780900000000 ] - [ 0.0182348600000000, -0.0215892600000000, 0.0286662700000000 ] - [ 0.0186560400000000, -0.0212343100000000, 0.0284572100000000 ] - [ 0.0027316000000000, 0.0036795500000000, -0.0004739000000000 ] - [ 0.0027980100000000, 0.0035928100000000, -0.0003211100000000 ] - [ 0.0070182400000000, -0.0045320400000000, 0.0003925900000000 ] - [ 0.0026514700000000, -0.0035553600000000, -0.0003118800000000 ] - [ -0.0025400500000000, 0.0022694200000000, 0.0021831100000000 ] - [ -0.0024727100000000, 0.0021881300000000, 0.0020799600000000 ] - [ 0.0038433200000000, -0.0019610000000000, 0.0018398700000000 ] - [ -0.0021939400000000, -0.0023104800000000, 0.0022606900000000 ] - [ -0.0009568200000000, -0.0029969200000000, 0.0011119600000000 ] - [ -0.0009572700000000, -0.0032475700000000, 0.0012030100000000 ] - [ -0.0017105700000000, 0.0031338200000000, 0.0009655200000000 ] - [ -0.0017812400000000, 0.0031674500000000, 0.0007334400000000 ] - [ -0.0136621900000000, 0.0188751100000000, -0.0230636400000000 ] - [ -0.0138742100000000, 0.0188932700000000, -0.0231646400000000 ] - [ -0.0130281700000000, -0.0179058200000000, -0.0221212300000000 ] - [ -0.0138639300000000, -0.0190611700000000, -0.0230018000000000 ] - [ -0.0037138700000000, 0.0047734800000000, 0.0017653700000000 ] - [ -0.0042648400000000, 0.0044319600000000, 0.0013523600000000 ] - [ -0.0039506700000000, -0.0043013000000000, -0.0008692300000000 ] - [ -0.0046175600000000, -0.0043829800000000, 0.0009850800000000 ] - [ 0.0220694900000000, 0.0199707200000000, 0.0303651200000000 ] - [ 0.0188304100000000, 0.0214517600000000, 0.0285747300000000 ] - [ 0.0189917800000000, -0.0212716800000000, 0.0284317100000000 ] - [ 0.0192045700000000, -0.0213435400000000, 0.0285260100000000 ] - [ 0.0021313300000000, 0.0029618900000000, -0.0012722900000000 ] - [ 0.0022045100000000, 0.0037281900000000, -0.0006076900000000 ] - [ 0.0030549000000000, -0.0028271700000000, -0.0018460500000000 ] - [ 0.0038882700000000, -0.0064035300000000, -0.0010501900000000 ] - [ -0.0018380500000000, 0.0001900200000000, -0.0020223900000000 ] - [ -0.0015243000000000, -0.0029233100000000, -0.0016015700000000 ] - [ -0.0008744200000000, 0.0010238200000000, -0.0018339100000000 ] - [ -0.0022350300000000, 0.0007142700000000, -0.0021513600000000 ] - [ -0.0043028900000000, -0.0017442200000000, -0.0040115400000000 ] - [ -0.0030247300000000, -0.0007836500000000, -0.0024628600000000 ] - [ -0.0029717600000000, 0.0008176000000000, -0.0023998100000000 ] - [ -0.0030963600000000, 0.0008707800000000, -0.0023466200000000 ] - [ 0.0035973900000000, 0.0021562900000000, -0.0084295400000000 ] - [ 0.0035937700000000, 0.0017782700000000, -0.0085361900000000 ] - [ 0.0335130800000000, -0.0082881500000000, -0.0143397500000000 ] - [ 0.0036980400000000, -0.0025648700000000, -0.0084043800000000 ] - [ -0.0012429700000000, -0.0040436600000000, -0.0007593100000000 ] - [ -0.0011661500000000, -0.0037469700000000, -0.0002682600000000 ] - [ -0.0001033500000000, 0.0037629500000000, -0.0002250500000000 ] - [ 0.0010667300000000, 0.0064819100000000, 0.0008599600000000 ] - [ 0.0082213500000000, -0.0045493000000000, 0.0125924700000000 ] - [ 0.0012839800000000, -0.0014343300000000, 0.0012111300000000 ] - [ 0.0013918500000000, 0.0017902300000000, 0.0002125900000000 ] - [ 0.0011614100000000, 0.0013969800000000, 0.0010010000000000 ] - [ -0.0001045800000000, -0.0041939700000000, -0.0004183200000000 ] - [ 0.0004531900000000, -0.0042241000000000, 0.0000506600000000 ] - [ 0.0179427000000000, 0.0156845100000000, -0.0112672600000000 ] - [ 0.0009563500000000, 0.0050709900000000, -0.0000947200000000 ] - [ 0.0035860600000000, 0.0019668400000000, -0.0083501600000000 ] - [ 0.0035751900000000, 0.0020061600000000, -0.0082998400000000 ] - [ 0.0031119500000000, -0.0024727300000000, -0.0084848100000000 ] - [ 0.0028210000000000, -0.0008774700000000, -0.0084592100000000 ] - [ -0.0005155300000000, -0.0034892900000000, 0.0014248000000000 ] - [ -0.0009580100000000, -0.0038447400000000, 0.0002435000000000 ] - [ -0.0033976600000000, 0.0035626600000000, 0.0009117800000000 ] - [ -0.0013628900000000, 0.0038426100000000, -0.0000086100000000 ] - [ 0.0000206200000000, -0.0016681200000000, 0.0010288300000000 ] - [ 0.0005317400000000, -0.0018276500000000, 0.0011593100000000 ] - [ 0.0008934300000000, 0.0013666700000000, 0.0019400700000000 ] - [ 0.0007690000000000, 0.0018146900000000, 0.0020040300000000 ] - [ 0.0007132000000000, -0.0041642200000000, 0.0002417800000000 ] - [ 0.0005795900000000, -0.0042843300000000, 0.0003955800000000 ] - [ -0.0001534400000000, 0.0042206700000000, -0.0000490900000000 ] - [ -0.0003838700000000, 0.0036058500000000, -0.0002284700000000 ]- atom: 5 displacement: [ -0.0099999983939046, 0.0000000000000000, -0.0000056676190151 ] forces: - [ -0.0023199700000000, 0.0023557300000000, 0.0023634500000000 ] - [ -0.0024893500000000, 0.0022218300000000, 0.0021820700000000 ] - [ -0.0027880500000000, -0.0003819800000000, 0.0016581200000000 ] - [ -0.0041826500000000, -0.0049191200000000, 0.0022314000000000 ] - [ 0.0779754700000000, -0.0009136600000000, -0.0064536500000000 ] - [ -0.0012164300000000, -0.0031517400000000, 0.0011025600000000 ] - [ -0.0016690900000000, 0.0031422500000000, 0.0007970700000000 ] - [ -0.0017106500000000, 0.0031620600000000, 0.0011692400000000 ] - [ -0.0138473300000000, 0.0189765000000000, -0.0231510500000000 ] - [ -0.0135409600000000, 0.0187458800000000, -0.0242624700000000 ] - [ -0.0167175000000000, -0.0218589800000000, -0.0199597700000000 ] - [ -0.0138633500000000, -0.0186843800000000, -0.0230099400000000 ] - [ -0.0040724800000000, 0.0045259100000000, 0.0014100900000000 ] - [ -0.0035231000000000, 0.0037391200000000, 0.0015165400000000 ] - [ -0.0045827200000000, -0.0043485300000000, 0.0011259700000000 ] - [ -0.0046248000000000, -0.0044800700000000, 0.0011246700000000 ] - [ 0.0167585100000000, 0.0223896300000000, 0.0289009200000000 ] - [ 0.0190199200000000, 0.0209685200000000, 0.0287040600000000 ] - [ 0.0193749000000000, -0.0210748400000000, 0.0283121600000000 ] - [ 0.0189476400000000, -0.0214320300000000, 0.0285238600000000 ] - [ 0.0019056800000000, 0.0036482800000000, -0.0005229400000000 ] - [ 0.0018393000000000, 0.0037316800000000, -0.0006741200000000 ] - [ -0.0024379200000000, -0.0027888200000000, -0.0014118200000000 ] - [ 0.0019850900000000, -0.0037714100000000, -0.0006865500000000 ] - [ -0.0024881400000000, 0.0021453300000000, 0.0020194800000000 ] - [ -0.0025561300000000, 0.0022256500000000, 0.0021209600000000 ] - [ -0.0087871700000000, -0.0024640100000000, 0.0023610000000000 ] - [ -0.0028339800000000, -0.0021044200000000, 0.0019417200000000 ] - [ -0.0023592500000000, -0.0033579700000000, 0.0013722300000000 ] - [ -0.0023595700000000, -0.0031120500000000, 0.0012803200000000 ] - [ -0.0016049400000000, 0.0032236300000000, 0.0015190800000000 ] - [ -0.0015333400000000, 0.0031903700000000, 0.0017524500000000 ] - [ -0.0143367200000000, 0.0190324900000000, -0.0232360600000000 ] - [ -0.0141225200000000, 0.0190127400000000, -0.0231301700000000 ] - [ -0.0149672600000000, -0.0199945700000000, -0.0241678100000000 ] - [ -0.0141332200000000, -0.0188454800000000, -0.0232926200000000 ] - [ -0.0051182100000000, 0.0039961000000000, 0.0008100600000000 ] - [ -0.0045680200000000, 0.0043368700000000, 0.0012216300000000 ] - [ -0.0048806400000000, -0.0044642000000000, 0.0034399000000000 ] - [ -0.0042159600000000, -0.0043858200000000, 0.0015883700000000 ] - [ 0.0155699900000000, 0.0226829500000000, 0.0266286400000000 ] - [ 0.0187733600000000, 0.0212156000000000, 0.0284061200000000 ] - [ 0.0186115100000000, -0.0213950100000000, 0.0285495100000000 ] - [ 0.0183972300000000, -0.0213244800000000, 0.0284540700000000 ] - [ 0.0025009000000000, 0.0043652400000000, 0.0002633200000000 ] - [ 0.0024329800000000, 0.0036014900000000, -0.0003912100000000 ] - [ 0.0015831900000000, -0.0045010100000000, 0.0008408200000000 ] - [ 0.0007412800000000, -0.0009186000000000, 0.0000553800000000 ] - [ -0.0035088000000000, -0.0017479400000000, -0.0025833800000000 ] - [ -0.0038435000000000, 0.0013763100000000, -0.0030061100000000 ] - [ -0.0044841100000000, 0.0005486900000000, -0.0027698300000000 ] - [ -0.0031155400000000, 0.0008513100000000, -0.0024497900000000 ] - [ -0.0010487500000000, 0.0001790200000000, -0.0006002500000000 ] - [ -0.0023258500000000, -0.0007764300000000, -0.0021380300000000 ] - [ -0.0023776800000000, 0.0007463400000000, -0.0022008100000000 ] - [ -0.0022539900000000, 0.0006953700000000, -0.0022520300000000 ] - [ 0.0035389800000000, 0.0019104800000000, -0.0084171700000000 ] - [ 0.0035428400000000, 0.0022895800000000, -0.0083137600000000 ] - [ -0.0279831700000000, 0.0046437600000000, -0.0021100000000000 ] - [ 0.0034392400000000, -0.0015043600000000, -0.0084450300000000 ] - [ -0.0008153500000000, -0.0036238300000000, 0.0007102000000000 ] - [ -0.0008911200000000, -0.0039195300000000, 0.0002203800000000 ] - [ -0.0019596000000000, 0.0039021800000000, 0.0001775400000000 ] - [ -0.0031071000000000, 0.0013056700000000, -0.0008430900000000 ] - [ -0.0060895900000000, 0.0015894800000000, -0.0100774200000000 ] - [ 0.0009308400000000, -0.0015036400000000, 0.0011780800000000 ] - [ 0.0008217800000000, 0.0011436300000000, 0.0021818700000000 ] - [ 0.0010529800000000, 0.0015379600000000, 0.0013889700000000 ] - [ 0.0010898000000000, -0.0043003300000000, 0.0005694400000000 ] - [ 0.0005343600000000, -0.0042702700000000, 0.0001045900000000 ] - [ -0.0164480500000000, -0.0066914200000000, 0.0108808900000000 ] - [ 0.0000305800000000, 0.0034190300000000, 0.0002504000000000 ] - [ 0.0035563400000000, 0.0021027500000000, -0.0084938100000000 ] - [ 0.0035634600000000, 0.0020624000000000, -0.0085472100000000 ] - [ 0.0040287800000000, -0.0015991100000000, -0.0083597700000000 ] - [ 0.0043193200000000, -0.0031848200000000, -0.0083856400000000 ] - [ -0.0015494100000000, -0.0041800200000000, -0.0014785900000000 ] - [ -0.0011018900000000, -0.0038233100000000, -0.0002916300000000 ] - [ 0.0013399200000000, 0.0040885700000000, -0.0009561700000000 ] - [ -0.0006948200000000, 0.0038239600000000, -0.0000382700000000 ] - [ 0.0021925900000000, -0.0012671000000000, 0.0013609900000000 ] - [ 0.0016833500000000, -0.0011034400000000, 0.0012304400000000 ] - [ 0.0013226400000000, 0.0015695100000000, 0.0004476900000000 ] - [ 0.0014492800000000, 0.0011196100000000, 0.0003850900000000 ] - [ 0.0002757900000000, -0.0043251300000000, -0.0000874300000000 ] - [ 0.0004073300000000, -0.0042115700000000, -0.0002293700000000 ] - [ 0.0011415100000000, 0.0042714200000000, 0.0002055600000000 ] - [ 0.0013711100000000, 0.0048925600000000, 0.0003854000000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0024653300000000, 0.0017028900000000, 0.0019922700000000 ] - [ -0.0025620000000000, 0.0024706200000000, 0.0021351600000000 ] - [ -0.0034176700000000, -0.0002672300000000, 0.0015854300000000 ] - [ 0.0002292000000000, 0.0012201400000000, 0.0024100400000000 ] - [ -0.0045438600000000, -0.0666417000000000, 0.0071133400000000 ] - [ -0.0016846300000000, -0.0024698100000000, 0.0012640400000000 ] - [ -0.0016946900000000, 0.0029149100000000, 0.0012369100000000 ] - [ -0.0016744400000000, 0.0033896000000000, 0.0012406100000000 ] - [ -0.0140118500000000, 0.0194454800000000, -0.0232697900000000 ] - [ -0.0140679500000000, 0.0194351300000000, -0.0220220100000000 ] - [ -0.0127890600000000, -0.0185635800000000, -0.0246018300000000 ] - [ -0.0140593200000000, -0.0183342100000000, -0.0230134600000000 ] - [ -0.0042920200000000, 0.0050029800000000, 0.0016032500000000 ] - [ -0.0036439600000000, 0.0086515500000000, -0.0021920400000000 ] - [ -0.0045243200000000, -0.0044093100000000, 0.0012358100000000 ] - [ -0.0043097200000000, -0.0043547900000000, 0.0013415500000000 ] - [ 0.0172439400000000, 0.0223389800000000, 0.0297221600000000 ] - [ 0.0192071400000000, 0.0216291900000000, 0.0282837900000000 ] - [ 0.0181562300000000, -0.0210800900000000, 0.0269150000000000 ] - [ 0.0187232100000000, -0.0210617100000000, 0.0284795600000000 ] - [ 0.0022407600000000, 0.0038816400000000, -0.0004141600000000 ] - [ 0.0024113300000000, 0.0036873500000000, -0.0004639400000000 ] - [ 0.0018820400000000, -0.0042701200000000, -0.0003167500000000 ] - [ 0.0023313000000000, -0.0029410600000000, -0.0005043500000000 ] - [ -0.0025692600000000, 0.0022634100000000, 0.0021796200000000 ] - [ -0.0025779100000000, 0.0021276400000000, 0.0018590200000000 ] - [ -0.0021031800000000, -0.0026124500000000, 0.0019736300000000 ] - [ -0.0025447000000000, -0.0016230300000000, 0.0019984000000000 ] - [ -0.0017260200000000, -0.0031532100000000, 0.0012273400000000 ] - [ -0.0014782100000000, -0.0031517000000000, 0.0012399100000000 ] - [ -0.0016129200000000, 0.0034717700000000, 0.0012587100000000 ] - [ -0.0016471000000000, 0.0029826900000000, 0.0010899300000000 ] - [ -0.0139828900000000, 0.0188622500000000, -0.0231678300000000 ] - [ -0.0140612400000000, 0.0191664100000000, -0.0231168800000000 ] - [ -0.0132583600000000, -0.0188684100000000, -0.0224518500000000 ] - [ -0.0140305700000000, -0.0186433000000000, -0.0232261900000000 ] - [ -0.0044563400000000, 0.0040366600000000, 0.0014132000000000 ] - [ -0.0043423900000000, 0.0046376900000000, 0.0012274200000000 ] - [ -0.0040971700000000, -0.0047405600000000, 0.0011126600000000 ] - [ -0.0045301100000000, -0.0036237200000000, 0.0013251200000000 ] - [ 0.0180278800000000, 0.0208969300000000, 0.0278973100000000 ] - [ 0.0189266500000000, 0.0217356700000000, 0.0285263300000000 ] - [ 0.0189504600000000, -0.0210355600000000, 0.0283429000000000 ] - [ 0.0187012600000000, -0.0216929600000000, 0.0285527700000000 ] - [ 0.0016861000000000, 0.0035033400000000, 0.0005138200000000 ] - [ 0.0023175900000000, 0.0043670900000000, -0.0005972400000000 ] - [ 0.0038834000000000, -0.0009379700000000, -0.0019768300000000 ] - [ 0.0004352700000000, -0.0003643800000000, 0.0009254100000000 ] - [ -0.0023819200000000, -0.0019645000000000, -0.0029152500000000 ] - [ -0.0040690400000000, -0.0010196800000000, -0.0011990300000000 ] - [ -0.0024483000000000, 0.0022364100000000, -0.0020098000000000 ] - [ -0.0026180100000000, 0.0001619000000000, -0.0022831800000000 ] - [ -0.0029126300000000, 0.0003267300000000, -0.0026154000000000 ] - [ -0.0027139100000000, -0.0013017400000000, -0.0022479400000000 ] - [ -0.0025346100000000, 0.0007820500000000, -0.0023556100000000 ] - [ -0.0029550200000000, 0.0008387400000000, -0.0020363900000000 ] - [ 0.0034413000000000, 0.0017619700000000, -0.0082397300000000 ] - [ 0.0035897700000000, 0.0016710200000000, -0.0085470900000000 ] - [ -0.0026541000000000, 0.0014299600000000, -0.0077977700000000 ] - [ 0.0035830500000000, -0.0033045900000000, -0.0082281500000000 ] - [ -0.0010196100000000, -0.0037857600000000, -0.0004307300000000 ] - [ -0.0010067300000000, -0.0040149900000000, 0.0000493300000000 ] - [ -0.0008016100000000, 0.0028425700000000, 0.0000847000000000 ] - [ 0.0015056600000000, 0.0319977000000000, 0.0157099900000000 ] - [ -0.0029609900000000, 0.0044716100000000, -0.0121893300000000 ] - [ 0.0010190400000000, -0.0021604500000000, 0.0011312200000000 ] - [ 0.0014443900000000, 0.0017409800000000, 0.0013115900000000 ] - [ 0.0010275400000000, 0.0011946000000000, 0.0010950000000000 ] - [ 0.0005099000000000, -0.0038121300000000, 0.0000787900000000 ] - [ 0.0005170800000000, -0.0046108800000000, 0.0001171600000000 ] - [ 0.0110652100000000, 0.0126483800000000, -0.0077519300000000 ] - [ 0.0001104500000000, 0.0028810400000000, 0.0001568500000000 ] - [ 0.0034265200000000, 0.0024018500000000, -0.0085430400000000 ] - [ 0.0036232900000000, 0.0016980500000000, -0.0082941900000000 ] - [ 0.0031163700000000, -0.0024791600000000, -0.0089486200000000 ] - [ 0.0041545500000000, -0.0017076100000000, -0.0078692600000000 ] - [ -0.0007314200000000, -0.0030943100000000, 0.0005217300000000 ] - [ -0.0011479000000000, -0.0042725000000000, -0.0001194000000000 ] - [ -0.0010652100000000, 0.0038506600000000, -0.0000086400000000 ] - [ -0.0009888600000000, 0.0035725300000000, -0.0000403000000000 ] - [ 0.0016566100000000, -0.0013647100000000, 0.0012714400000000 ] - [ 0.0007334700000000, -0.0016894100000000, 0.0012646500000000 ] - [ 0.0007948300000000, 0.0009466800000000, 0.0020955200000000 ] - [ 0.0014357600000000, 0.0023811600000000, 0.0005393700000000 ] - [ 0.0003811000000000, -0.0042294100000000, -0.0003332700000000 ] - [ 0.0004801000000000, -0.0048061100000000, 0.0015917600000000 ] - [ 0.0011394800000000, 0.0036518500000000, 0.0004229400000000 ] - [ -0.0003401700000000, 0.0051483900000000, -0.0003252500000000 ]- atom: 5 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0025628900000000, 0.0027079800000000, 0.0022141200000000 ] - [ -0.0024661000000000, 0.0019441300000000, 0.0020680300000000 ] - [ -0.0016203200000000, -0.0041349900000000, 0.0026115300000000 ] - [ -0.0053001800000000, -0.0056809800000000, 0.0017878100000000 ] - [ 0.0010396100000000, 0.0615236400000000, -0.0035759100000000 ] - [ -0.0016308000000000, -0.0038870400000000, 0.0012194000000000 ] - [ -0.0016219000000000, 0.0034410500000000, 0.0012478900000000 ] - [ -0.0016411500000000, 0.0029681000000000, 0.0012443200000000 ] - [ -0.0139845700000000, 0.0184614600000000, -0.0230247900000000 ] - [ -0.0139277600000000, 0.0184623400000000, -0.0242566400000000 ] - [ -0.0152101000000000, -0.0193352700000000, -0.0216909300000000 ] - [ -0.0139377300000000, -0.0195738700000000, -0.0232802600000000 ] - [ -0.0045412500000000, 0.0037696100000000, 0.0009748400000000 ] - [ -0.0051962200000000, 0.0000708300000000, 0.0047985300000000 ] - [ -0.0043098700000000, -0.0043612000000000, 0.0013376500000000 ] - [ -0.0045239200000000, -0.0044133800000000, 0.0012324100000000 ] - [ 0.0203642100000000, 0.0203255800000000, 0.0272673200000000 ] - [ 0.0183969800000000, 0.0210424600000000, 0.0286972700000000 ] - [ 0.0194439900000000, -0.0215849100000000, 0.0300556900000000 ] - [ 0.0188801600000000, -0.0216024300000000, 0.0285015100000000 ] - [ 0.0023974000000000, 0.0034443400000000, -0.0005843400000000 ] - [ 0.0022263000000000, 0.0036402200000000, -0.0005316000000000 ] - [ 0.0027610700000000, -0.0030612000000000, -0.0006837000000000 ] - [ 0.0023043500000000, -0.0043860600000000, -0.0004946600000000 ] - [ -0.0024584500000000, 0.0021491600000000, 0.0020234800000000 ] - [ -0.0024490200000000, 0.0022876600000000, 0.0023446100000000 ] - [ -0.0029327800000000, -0.0017996900000000, 0.0022255300000000 ] - [ -0.0024817900000000, -0.0027916100000000, 0.0022048000000000 ] - [ -0.0015904700000000, -0.0032061100000000, 0.0012570700000000 ] - [ -0.0018392700000000, -0.0032045900000000, 0.0012449200000000 ] - [ -0.0017027700000000, 0.0028846200000000, 0.0012258100000000 ] - [ -0.0016703900000000, 0.0033765000000000, 0.0013964700000000 ] - [ -0.0140137400000000, 0.0190407700000000, -0.0231270900000000 ] - [ -0.0139343400000000, 0.0187404900000000, -0.0231777000000000 ] - [ -0.0147365100000000, -0.0190394400000000, -0.0238396600000000 ] - [ -0.0139662300000000, -0.0192617100000000, -0.0230677800000000 ] - [ -0.0043768700000000, 0.0047302200000000, 0.0011599200000000 ] - [ -0.0044905600000000, 0.0041311100000000, 0.0013470400000000 ] - [ -0.0047349700000000, -0.0040302600000000, 0.0014580700000000 ] - [ -0.0043044100000000, -0.0051439700000000, 0.0012481600000000 ] - [ 0.0195812300000000, 0.0217719100000000, 0.0290826500000000 ] - [ 0.0186774900000000, 0.0209311400000000, 0.0284553600000000 ] - [ 0.0186542300000000, -0.0216323800000000, 0.0286376200000000 ] - [ 0.0189024800000000, -0.0209727300000000, 0.0284278700000000 ] - [ 0.0029521200000000, 0.0038228600000000, -0.0015311600000000 ] - [ 0.0023202100000000, 0.0029578300000000, -0.0003974100000000 ] - [ 0.0007643200000000, -0.0063557400000000, 0.0009720200000000 ] - [ 0.0042323600000000, -0.0069958400000000, -0.0019408700000000 ] - [ -0.0029620100000000, 0.0004061200000000, -0.0016900200000000 ] - [ -0.0012767300000000, -0.0005454400000000, -0.0034005900000000 ] - [ -0.0028962100000000, -0.0006550000000000, -0.0025884700000000 ] - [ -0.0027298900000000, 0.0014021100000000, -0.0023179100000000 ] - [ -0.0024390300000000, -0.0018820000000000, -0.0019827600000000 ] - [ -0.0026365200000000, -0.0002589500000000, -0.0023546500000000 ] - [ -0.0028140600000000, 0.0007876700000000, -0.0022457600000000 ] - [ -0.0023951800000000, 0.0007259500000000, -0.0025650900000000 ] - [ 0.0036958900000000, 0.0023060100000000, -0.0086061700000000 ] - [ 0.0035498100000000, 0.0023920900000000, -0.0083038100000000 ] - [ 0.0098086500000000, -0.0055932100000000, -0.0090730000000000 ] - [ 0.0035547400000000, -0.0007621000000000, -0.0086221100000000 ] - [ -0.0010392500000000, -0.0038807700000000, 0.0003819100000000 ] - [ -0.0010531100000000, -0.0036535500000000, -0.0000969800000000 ] - [ -0.0012553000000000, 0.0048203500000000, -0.0001307500000000 ] - [ -0.0036723300000000, -0.0254658200000000, -0.0166381700000000 ] - [ 0.0052010000000000, -0.0073260600000000, 0.0146591400000000 ] - [ 0.0011942800000000, -0.0007772100000000, 0.0012589700000000 ] - [ 0.0007725000000000, 0.0011971000000000, 0.0010785200000000 ] - [ 0.0011865900000000, 0.0017396300000000, 0.0012960200000000 ] - [ 0.0004768700000000, -0.0046805300000000, 0.0000749200000000 ] - [ 0.0004705400000000, -0.0038823400000000, 0.0000378700000000 ] - [ -0.0098218200000000, -0.0041756400000000, 0.0076949900000000 ] - [ 0.0008795400000000, 0.0056106300000000, -0.0000015900000000 ] - [ 0.0037157900000000, 0.0016659000000000, -0.0083013500000000 ] - [ 0.0035134300000000, 0.0023707200000000, -0.0085539900000000 ] - [ 0.0040187200000000, -0.0015902400000000, -0.0079013400000000 ] - [ 0.0029826600000000, -0.0023638500000000, -0.0089782000000000 ] - [ -0.0013306500000000, -0.0045765100000000, -0.0005696700000000 ] - [ -0.0009095300000000, -0.0033950400000000, 0.0000713900000000 ] - [ -0.0009946900000000, 0.0038183600000000, -0.0000379500000000 ] - [ -0.0010697900000000, 0.0040923700000000, -0.0000072100000000 ] - [ 0.0005564100000000, -0.0015696600000000, 0.0011177100000000 ] - [ 0.0014828200000000, -0.0012476000000000, 0.0011236900000000 ] - [ 0.0014187400000000, 0.0019893600000000, 0.0002985200000000 ] - [ 0.0007804300000000, 0.0005518500000000, 0.0018511900000000 ] - [ 0.0006065000000000, -0.0042581900000000, 0.0004855000000000 ] - [ 0.0005078600000000, -0.0036890700000000, -0.0014445000000000 ] - [ -0.0001479300000000, 0.0048414400000000, -0.0002656000000000 ] - [ 0.0013290500000000, 0.0033405100000000, 0.0004821100000000 ]- atom: 5 displacement: [ -0.0034429113111456, 0.0000000000000000, 0.0093886293836526 ] forces: - [ -0.0026263000000000, 0.0022772700000000, 0.0029396800000000 ] - [ -0.0025292100000000, 0.0022603900000000, 0.0023222800000000 ] - [ -0.0025843400000000, -0.0015478700000000, 0.0015355400000000 ] - [ -0.0033915300000000, -0.0026493000000000, 0.0016126000000000 ] - [ 0.0324113000000000, 0.0028713100000000, -0.0738340900000000 ] - [ -0.0013748000000000, -0.0031488300000000, 0.0008457300000000 ] - [ -0.0012440500000000, 0.0031709100000000, 0.0014727000000000 ] - [ -0.0016074400000000, 0.0031748400000000, 0.0013076300000000 ] - [ -0.0139890900000000, 0.0188073800000000, -0.0230951000000000 ] - [ -0.0131875100000000, 0.0206835500000000, -0.0191085900000000 ] - [ -0.0169370300000000, -0.0217472100000000, -0.0207022500000000 ] - [ -0.0139584300000000, -0.0186501100000000, -0.0232504400000000 ] - [ -0.0042301300000000, 0.0048629200000000, 0.0012836200000000 ] - [ -0.0047016500000000, -0.0000816100000000, 0.0039587900000000 ] - [ -0.0043061200000000, -0.0044587300000000, 0.0012894600000000 ] - [ -0.0043944000000000, -0.0043729500000000, 0.0013276100000000 ] - [ 0.0166893500000000, 0.0230855300000000, 0.0293954900000000 ] - [ 0.0185071200000000, 0.0209325300000000, 0.0282454400000000 ] - [ 0.0200306700000000, -0.0228493300000000, 0.0311498900000000 ] - [ 0.0188205200000000, -0.0212107100000000, 0.0285302700000000 ] - [ 0.0021819100000000, 0.0036527600000000, -0.0000576700000000 ] - [ 0.0023548000000000, 0.0038173800000000, 0.0001351200000000 ] - [ 0.0019886000000000, -0.0031590700000000, -0.0001877000000000 ] - [ 0.0022499100000000, -0.0036538000000000, -0.0006448300000000 ] - [ -0.0024101000000000, 0.0022618800000000, 0.0022867700000000 ] - [ -0.0024277800000000, 0.0022218700000000, 0.0024190800000000 ] - [ -0.0057779500000000, -0.0025803700000000, 0.0019294300000000 ] - [ -0.0028262800000000, -0.0020816800000000, 0.0018037200000000 ] - [ -0.0019356200000000, -0.0032434900000000, 0.0011271900000000 ] - [ -0.0020209600000000, -0.0031692300000000, 0.0010956800000000 ] - [ -0.0018996400000000, 0.0031795700000000, 0.0017888400000000 ] - [ -0.0020936400000000, 0.0033248000000000, 0.0021842200000000 ] - [ -0.0139012700000000, 0.0190906800000000, -0.0226684400000000 ] - [ -0.0140287200000000, 0.0190075200000000, -0.0229731500000000 ] - [ -0.0135653000000000, -0.0186590800000000, -0.0235075300000000 ] - [ -0.0139856600000000, -0.0189827300000000, -0.0233589600000000 ] - [ -0.0045171600000000, 0.0043179700000000, 0.0009253600000000 ] - [ -0.0044903500000000, 0.0043426200000000, 0.0012374200000000 ] - [ -0.0063004800000000, -0.0039652500000000, 0.0051259200000000 ] - [ -0.0043544100000000, -0.0042588300000000, 0.0016118200000000 ] - [ 0.0186969700000000, 0.0211825000000000, 0.0287537200000000 ] - [ 0.0188628700000000, 0.0213510600000000, 0.0283621800000000 ] - [ 0.0187108900000000, -0.0213756700000000, 0.0286302900000000 ] - [ 0.0185806000000000, -0.0214052400000000, 0.0288532200000000 ] - [ 0.0030003900000000, 0.0035359500000000, 0.0039247600000000 ] - [ 0.0023465000000000, 0.0033702100000000, -0.0001241700000000 ] - [ 0.0012552800000000, -0.0041599100000000, 0.0001762000000000 ] - [ 0.0011588200000000, -0.0006901500000000, -0.0001629000000000 ] - [ -0.0030044300000000, -0.0019893300000000, -0.0016066000000000 ] - [ -0.0019293100000000, 0.0013686900000000, -0.0010591500000000 ] - [ -0.0033723200000000, 0.0015882100000000, -0.0044559400000000 ] - [ -0.0027077900000000, 0.0007578800000000, -0.0027229600000000 ] - [ -0.0027429800000000, -0.0006711700000000, -0.0003672800000000 ] - [ -0.0026085900000000, -0.0007005100000000, -0.0018591000000000 ] - [ -0.0027721500000000, 0.0007494000000000, -0.0025647500000000 ] - [ -0.0026556200000000, 0.0007801500000000, -0.0028507600000000 ] - [ 0.0039242600000000, 0.0028643600000000, -0.0092984800000000 ] - [ 0.0039807700000000, 0.0010449100000000, -0.0092386200000000 ] - [ -0.0123473600000000, 0.0007314500000000, -0.0041960400000000 ] - [ 0.0034576600000000, -0.0018798200000000, -0.0080528300000000 ] - [ -0.0010777800000000, -0.0037521400000000, -0.0001260500000000 ] - [ -0.0011882200000000, -0.0037403400000000, 0.0000368200000000 ] - [ -0.0015536300000000, 0.0040410800000000, 0.0003098100000000 ] - [ -0.0008599600000000, 0.0166736100000000, 0.0104433600000000 ] - [ 0.0094247800000000, -0.0097561000000000, 0.0279792600000000 ] - [ 0.0009113600000000, -0.0016431400000000, 0.0013469900000000 ] - [ 0.0001015900000000, 0.0014954500000000, 0.0011871000000000 ] - [ 0.0009174200000000, 0.0014101700000000, 0.0012431400000000 ] - [ 0.0002415600000000, -0.0043154700000000, -0.0004047600000000 ] - [ 0.0004774900000000, -0.0042719300000000, 0.0000435000000000 ] - [ -0.0162418200000000, -0.0078030500000000, 0.0136295800000000 ] - [ 0.0000809300000000, 0.0032923300000000, 0.0003192200000000 ] - [ 0.0025569600000000, 0.0021656800000000, -0.0094178900000000 ] - [ 0.0034599100000000, 0.0019965000000000, -0.0086982600000000 ] - [ 0.0038706100000000, -0.0021523400000000, -0.0078460600000000 ] - [ 0.0040211800000000, -0.0022056900000000, -0.0075018200000000 ] - [ -0.0002951200000000, -0.0038045400000000, -0.0017159000000000 ] - [ -0.0008974100000000, -0.0037828700000000, -0.0003076700000000 ] - [ -0.0002988100000000, 0.0044603300000000, -0.0004569800000000 ] - [ -0.0008486500000000, 0.0038789500000000, -0.0000261500000000 ] - [ 0.0021059500000000, -0.0015540500000000, 0.0013189000000000 ] - [ 0.0017901300000000, -0.0011992000000000, 0.0011546300000000 ] - [ 0.0012917600000000, 0.0015066900000000, 0.0005668600000000 ] - [ 0.0017904200000000, 0.0006809900000000, 0.0004121000000000 ] - [ 0.0005234400000000, -0.0052450400000000, -0.0003510200000000 ] - [ 0.0007784400000000, -0.0040669300000000, -0.0014413800000000 ] - [ 0.0007179900000000, 0.0042127400000000, 0.0002403500000000 ] - [ 0.0007282000000000, 0.0041518300000000, 0.0004229800000000 ]- atom: 5 displacement: [ 0.0034429113111456, 0.0000000000000000, -0.0093886293836526 ] forces: - [ -0.0024029300000000, 0.0021370200000000, 0.0012646000000000 ] - [ -0.0024987600000000, 0.0021544900000000, 0.0018806600000000 ] - [ -0.0024400100000000, -0.0028757500000000, 0.0026658100000000 ] - [ -0.0016076300000000, -0.0017387000000000, 0.0025817900000000 ] - [ -0.0364978000000000, -0.0091058900000000, 0.0759677800000000 ] - [ -0.0019413200000000, -0.0032090200000000, 0.0016371200000000 ] - [ -0.0020736400000000, 0.0031857300000000, 0.0010121600000000 ] - [ -0.0017087900000000, 0.0031828500000000, 0.0011776100000000 ] - [ -0.0140063100000000, 0.0191006700000000, -0.0231981600000000 ] - [ -0.0148275200000000, 0.0172116300000000, -0.0272291600000000 ] - [ -0.0110910100000000, -0.0161947400000000, -0.0255675800000000 ] - [ -0.0140381200000000, -0.0192541600000000, -0.0230459900000000 ] - [ -0.0046024900000000, 0.0039099400000000, 0.0012902800000000 ] - [ -0.0041256800000000, 0.0088105400000000, -0.0013802800000000 ] - [ -0.0045275900000000, -0.0043101300000000, 0.0012856300000000 ] - [ -0.0044384000000000, -0.0043949600000000, 0.0012478700000000 ] - [ 0.0208946800000000, 0.0196050100000000, 0.0276064400000000 ] - [ 0.0191003000000000, 0.0217345600000000, 0.0287303000000000 ] - [ 0.0175606500000000, -0.0197997800000000, 0.0258043700000000 ] - [ 0.0187827000000000, -0.0214561500000000, 0.0284510500000000 ] - [ 0.0024531200000000, 0.0036757100000000, -0.0009413600000000 ] - [ 0.0022788100000000, 0.0035075800000000, -0.0011358200000000 ] - [ 0.0026780300000000, -0.0041666500000000, -0.0007919700000000 ] - [ 0.0023891900000000, -0.0036707300000000, -0.0003516600000000 ] - [ -0.0026171400000000, 0.0021528400000000, 0.0019162100000000 ] - [ -0.0025995600000000, 0.0021918500000000, 0.0017828200000000 ] - [ 0.0007780100000000, -0.0018354900000000, 0.0022745700000000 ] - [ -0.0022001500000000, -0.0023339900000000, 0.0023991700000000 ] - [ -0.0013803100000000, -0.0031144900000000, 0.0013562100000000 ] - [ -0.0012939000000000, -0.0031879500000000, 0.0013876600000000 ] - [ -0.0014155700000000, 0.0031795700000000, 0.0006966900000000 ] - [ -0.0012211700000000, 0.0030290800000000, 0.0002998500000000 ] - [ -0.0140932100000000, 0.0188157000000000, -0.0236209200000000 ] - [ -0.0139672300000000, 0.0188985200000000, -0.0233212000000000 ] - [ -0.0144314900000000, -0.0192488600000000, -0.0227873500000000 ] - [ -0.0140110800000000, -0.0189220700000000, -0.0229358900000000 ] - [ -0.0043196900000000, 0.0044465300000000, 0.0016484400000000 ] - [ -0.0043427700000000, 0.0044262100000000, 0.0013357200000000 ] - [ -0.0025033500000000, -0.0048185900000000, -0.0026151600000000 ] - [ -0.0044789600000000, -0.0045107300000000, 0.0009624700000000 ] - [ 0.0188772200000000, 0.0214886100000000, 0.0282268800000000 ] - [ 0.0187408000000000, 0.0213157000000000, 0.0286181400000000 ] - [ 0.0188927000000000, -0.0212910200000000, 0.0283514900000000 ] - [ 0.0190261800000000, -0.0212634500000000, 0.0281298300000000 ] - [ 0.0016365800000000, 0.0037989700000000, -0.0048616900000000 ] - [ 0.0022914400000000, 0.0039560300000000, -0.0008723100000000 ] - [ 0.0033883000000000, -0.0031794800000000, -0.0011705100000000 ] - [ 0.0034900000000000, -0.0066527900000000, -0.0008284800000000 ] - [ -0.0023458700000000, 0.0004238500000000, -0.0029873000000000 ] - [ -0.0034248400000000, -0.0029142000000000, -0.0035254900000000 ] - [ -0.0019704700000000, -0.0000225000000000, -0.0001401700000000 ] - [ -0.0026430200000000, 0.0008071700000000, -0.0018778900000000 ] - [ -0.0026016500000000, -0.0008754400000000, -0.0042429700000000 ] - [ -0.0027408400000000, -0.0008597000000000, -0.0027425800000000 ] - [ -0.0025778600000000, 0.0008160500000000, -0.0020365700000000 ] - [ -0.0026958600000000, 0.0007873300000000, -0.0017488500000000 ] - [ 0.0032112400000000, 0.0011984000000000, -0.0075475300000000 ] - [ 0.0031565300000000, 0.0030294500000000, -0.0076081800000000 ] - [ 0.0190852200000000, -0.0047092500000000, -0.0126939600000000 ] - [ 0.0036803200000000, -0.0021961300000000, -0.0087910000000000 ] - [ -0.0009802200000000, -0.0039143200000000, 0.0000792300000000 ] - [ -0.0008695300000000, -0.0039274900000000, -0.0000838200000000 ] - [ -0.0005080400000000, 0.0036261300000000, -0.0003589000000000 ] - [ -0.0012565100000000, -0.0093509400000000, -0.0105780900000000 ] - [ -0.0067309300000000, 0.0064366700000000, -0.0247101800000000 ] - [ 0.0013020400000000, -0.0012945000000000, 0.0010436300000000 ] - [ 0.0021216900000000, 0.0014427200000000, 0.0011967100000000 ] - [ 0.0012982000000000, 0.0015244500000000, 0.0011445000000000 ] - [ 0.0007520500000000, -0.0041764800000000, 0.0005653500000000 ] - [ 0.0005105100000000, -0.0042231500000000, 0.0001118100000000 ] - [ 0.0179541800000000, 0.0168316800000000, -0.0138729000000000 ] - [ 0.0009078600000000, 0.0052010900000000, -0.0001638500000000 ] - [ 0.0045729300000000, 0.0019058700000000, -0.0074331700000000 ] - [ 0.0036774300000000, 0.0020720500000000, -0.0081505400000000 ] - [ 0.0032687400000000, -0.0019172900000000, -0.0089993600000000 ] - [ 0.0031156200000000, -0.0018676700000000, -0.0093517400000000 ] - [ -0.0017617400000000, -0.0038592700000000, 0.0016695500000000 ] - [ -0.0011608400000000, -0.0038858700000000, 0.0002603700000000 ] - [ -0.0017676000000000, 0.0032095000000000, 0.0004111500000000 ] - [ -0.0012115200000000, 0.0037867700000000, -0.0000223700000000 ] - [ 0.0001136300000000, -0.0013792100000000, 0.0010737300000000 ] - [ 0.0004257800000000, -0.0017333300000000, 0.0012366300000000 ] - [ 0.0009243400000000, 0.0014299200000000, 0.0018176800000000 ] - [ 0.0004214100000000, 0.0022626400000000, 0.0019754700000000 ] - [ 0.0004635900000000, -0.0032530100000000, 0.0005053700000000 ] - [ 0.0002078700000000, -0.0044284700000000, 0.0015976400000000 ] - [ 0.0002680300000000, 0.0042787900000000, -0.0000860400000000 ] - [ 0.0002530200000000, 0.0043379200000000, -0.0002694600000000 ]- atom: 9 displacement: [ 0.0099999983939046, 0.0000000000000000, 0.0000056676190151 ] forces: - [ -0.0025957700000000, 0.0023258400000000, 0.0022156700000000 ] - [ -0.0042623300000000, 0.0029560900000000, 0.0017777600000000 ] - [ -0.0017716200000000, -0.0011243900000000, -0.0003966700000000 ] - [ -0.0025472200000000, -0.0022026500000000, 0.0020155400000000 ] - [ -0.0018085500000000, -0.0031918900000000, 0.0011956800000000 ] - [ -0.0021161500000000, -0.0032489000000000, 0.0019474500000000 ] - [ -0.0015227500000000, 0.0032114500000000, 0.0013060300000000 ] - [ -0.0006948000000000, 0.0024446200000000, 0.0020516000000000 ] - [ -0.0723430800000000, -0.0273112500000000, -0.0142698600000000 ] - [ -0.0138340800000000, 0.0193985400000000, -0.0231298300000000 ] - [ -0.0140459700000000, -0.0189109800000000, -0.0231805800000000 ] - [ -0.0141346900000000, -0.0190587900000000, -0.0234639600000000 ] - [ -0.0045039700000000, 0.0043292800000000, 0.0009319100000000 ] - [ -0.0044614800000000, 0.0044083400000000, 0.0012532000000000 ] - [ -0.0020607300000000, -0.0027349100000000, 0.0012130600000000 ] - [ -0.0039299400000000, -0.0043453600000000, 0.0013631600000000 ] - [ 0.0187855800000000, 0.0214751500000000, 0.0278352200000000 ] - [ 0.0187596700000000, 0.0213750600000000, 0.0284040000000000 ] - [ 0.0169997300000000, -0.0201369000000000, 0.0290570300000000 ] - [ 0.0161829600000000, -0.0230182700000000, 0.0285858000000000 ] - [ 0.0026824200000000, 0.0041880700000000, 0.0012852900000000 ] - [ 0.0023067300000000, 0.0036958600000000, -0.0004048500000000 ] - [ 0.0024353000000000, -0.0036103000000000, -0.0004742500000000 ] - [ 0.0032424800000000, -0.0041261300000000, -0.0011053000000000 ] - [ -0.0020495300000000, 0.0021428700000000, 0.0020880900000000 ] - [ -0.0023816500000000, 0.0021850800000000, 0.0020131200000000 ] - [ -0.0023365900000000, -0.0023870200000000, 0.0022012600000000 ] - [ -0.0022436900000000, -0.0021007800000000, 0.0025317000000000 ] - [ -0.0013200300000000, -0.0031641700000000, 0.0014677600000000 ] - [ -0.0015335300000000, -0.0032410400000000, 0.0012558400000000 ] - [ 0.0010437000000000, 0.0019648100000000, -0.0008859900000000 ] - [ -0.0017932300000000, 0.0032403300000000, 0.0012349400000000 ] - [ -0.0135860300000000, 0.0189746700000000, -0.0231063400000000 ] - [ -0.0135883500000000, 0.0195835200000000, -0.0234048500000000 ] - [ -0.0137739600000000, -0.0190441700000000, -0.0227896200000000 ] - [ -0.0139625100000000, -0.0189407700000000, -0.0229202700000000 ] - [ -0.0042892400000000, 0.0045089300000000, 0.0013964200000000 ] - [ -0.0043897700000000, 0.0043615900000000, 0.0014211200000000 ] - [ -0.0047477600000000, -0.0043184900000000, 0.0012428600000000 ] - [ 0.0012642400000000, 0.0008869100000000, 0.0018811300000000 ] - [ 0.0188518800000000, 0.0213292600000000, 0.0285070300000000 ] - [ 0.0188956400000000, 0.0213622400000000, 0.0287292500000000 ] - [ 0.0193281600000000, -0.0215363100000000, 0.0284058400000000 ] - [ 0.0188747700000000, -0.0212057200000000, 0.0284618300000000 ] - [ 0.0023662300000000, 0.0035288600000000, -0.0006099700000000 ] - [ 0.0024617600000000, 0.0037205200000000, -0.0006189000000000 ] - [ 0.0043065300000000, -0.0053102100000000, 0.0011945100000000 ] - [ 0.0021664600000000, -0.0034040100000000, -0.0004184100000000 ] - [ -0.0019272400000000, -0.0001889700000000, -0.0010166300000000 ] - [ -0.0025446500000000, -0.0008580900000000, -0.0022007100000000 ] - [ -0.0018733200000000, 0.0001584200000000, -0.0030827500000000 ] - [ 0.0370664600000000, 0.0456963300000000, -0.0168065100000000 ] - [ -0.0029210400000000, -0.0007106400000000, -0.0024280000000000 ] - [ -0.0026664300000000, -0.0009717300000000, -0.0028433200000000 ] - [ -0.0028937900000000, 0.0013408500000000, -0.0023286900000000 ] - [ -0.0029300800000000, 0.0001273900000000, -0.0020131300000000 ] - [ 0.0073086400000000, -0.0045467900000000, -0.0150828300000000 ] - [ 0.0037084200000000, 0.0020234000000000, -0.0089550900000000 ] - [ 0.0035785900000000, -0.0024179800000000, -0.0083123000000000 ] - [ 0.0039389000000000, -0.0019370800000000, -0.0080698500000000 ] - [ -0.0015520800000000, -0.0039545600000000, -0.0000235900000000 ] - [ -0.0010416500000000, -0.0033901700000000, -0.0002503900000000 ] - [ 0.0054899400000000, 0.0026352500000000, 0.0136388300000000 ] - [ -0.0008469600000000, 0.0038375200000000, 0.0001661300000000 ] - [ 0.0010981100000000, -0.0014702000000000, 0.0012963300000000 ] - [ 0.0009700100000000, -0.0014053100000000, 0.0012027400000000 ] - [ 0.0008320400000000, 0.0013572000000000, 0.0011745500000000 ] - [ 0.0000187100000000, 0.0038399400000000, 0.0012346700000000 ] - [ 0.0003979300000000, -0.0042856700000000, 0.0000498300000000 ] - [ 0.0006388600000000, -0.0036501800000000, -0.0010479400000000 ] - [ 0.0008642000000000, 0.0049865100000000, 0.0003280600000000 ] - [ 0.0010882700000000, 0.0033780600000000, -0.0015828500000000 ] - [ 0.0034668700000000, 0.0020538400000000, -0.0083977000000000 ] - [ 0.0028182700000000, 0.0019538500000000, -0.0080443100000000 ] - [ 0.0030023000000000, -0.0022232300000000, -0.0091432400000000 ] - [ 0.0034834700000000, -0.0019936500000000, -0.0084913300000000 ] - [ -0.0008546400000000, -0.0039070100000000, -0.0000020900000000 ] - [ -0.0008347400000000, -0.0042989800000000, 0.0007822700000000 ] - [ -0.0012130800000000, 0.0038291300000000, -0.0000666100000000 ] - [ -0.0017206200000000, 0.0040115200000000, -0.0003144200000000 ] - [ 0.0013485300000000, -0.0016799900000000, 0.0007321400000000 ] - [ 0.0011431700000000, -0.0015121800000000, 0.0012158400000000 ] - [ -0.0004630700000000, 0.0029190300000000, 0.0011906500000000 ] - [ 0.0011569900000000, 0.0012461100000000, 0.0012578900000000 ] - [ -0.0002357700000000, -0.0036439300000000, 0.0007195100000000 ] - [ 0.0004989500000000, -0.0044071300000000, 0.0001689700000000 ] - [ -0.0001817200000000, 0.0039362900000000, -0.0000077500000000 ] - [ 0.0004580000000000, 0.0041984000000000, 0.0000621300000000 ]- atom: 9 displacement: [ -0.0099999983939046, 0.0000000000000000, -0.0000056676190151 ] forces: - [ -0.0024326600000000, 0.0020921900000000, 0.0019898000000000 ] - [ -0.0007674400000000, 0.0014519600000000, 0.0024183400000000 ] - [ -0.0032326400000000, -0.0032816000000000, 0.0045988700000000 ] - [ -0.0024798100000000, -0.0022115100000000, 0.0021876900000000 ] - [ -0.0015077500000000, -0.0031643800000000, 0.0012876500000000 ] - [ -0.0012053600000000, -0.0031099300000000, 0.0005299400000000 ] - [ -0.0017923700000000, 0.0031470900000000, 0.0011803800000000 ] - [ -0.0026345200000000, 0.0039237300000000, 0.0004181700000000 ] - [ 0.0441627200000000, 0.0639955700000000, -0.0317976300000000 ] - [ -0.0141634400000000, 0.0185127600000000, -0.0231582700000000 ] - [ -0.0139506500000000, -0.0189941700000000, -0.0231130000000000 ] - [ -0.0138617000000000, -0.0188492000000000, -0.0228290600000000 ] - [ -0.0043284800000000, 0.0044393900000000, 0.0016391900000000 ] - [ -0.0043718500000000, 0.0043605500000000, 0.0013202700000000 ] - [ -0.0067807100000000, -0.0060708100000000, 0.0013726700000000 ] - [ -0.0049015600000000, -0.0044212400000000, 0.0012121200000000 ] - [ 0.0188166000000000, 0.0211893000000000, 0.0291474600000000 ] - [ 0.0188437300000000, 0.0212904600000000, 0.0285791300000000 ] - [ 0.0206041600000000, -0.0224758100000000, 0.0279133800000000 ] - [ 0.0214176200000000, -0.0196318800000000, 0.0283948000000000 ] - [ 0.0019651000000000, 0.0031377900000000, -0.0022801700000000 ] - [ 0.0023318900000000, 0.0036321600000000, -0.0005924400000000 ] - [ 0.0022042900000000, -0.0037127900000000, -0.0005250500000000 ] - [ 0.0013819000000000, -0.0031954800000000, 0.0001211900000000 ] - [ -0.0029760500000000, 0.0022705600000000, 0.0021148000000000 ] - [ -0.0026467700000000, 0.0022321500000000, 0.0021887500000000 ] - [ -0.0026899400000000, -0.0020269200000000, 0.0020010300000000 ] - [ -0.0027848300000000, -0.0023145200000000, 0.0016749200000000 ] - [ -0.0019945000000000, -0.0031948500000000, 0.0010155500000000 ] - [ -0.0017822800000000, -0.0031140300000000, 0.0012299700000000 ] - [ -0.0043509900000000, 0.0043843100000000, 0.0033594600000000 ] - [ -0.0015232400000000, 0.0031189500000000, 0.0012493800000000 ] - [ -0.0144090100000000, 0.0189289700000000, -0.0231874000000000 ] - [ -0.0144116300000000, 0.0183247400000000, -0.0228909800000000 ] - [ -0.0142218600000000, -0.0188616600000000, -0.0235035700000000 ] - [ -0.0140342600000000, -0.0189646000000000, -0.0233751200000000 ] - [ -0.0045436900000000, 0.0042593100000000, 0.0011775500000000 ] - [ -0.0044426200000000, 0.0044066200000000, 0.0011544200000000 ] - [ -0.0040859400000000, -0.0044482600000000, 0.0013313600000000 ] - [ -0.0099642900000000, -0.0095531300000000, 0.0007115700000000 ] - [ 0.0187521000000000, 0.0213391500000000, 0.0284749900000000 ] - [ 0.0187075100000000, 0.0213022100000000, 0.0282521900000000 ] - [ 0.0182775700000000, -0.0211334600000000, 0.0285744800000000 ] - [ 0.0187287700000000, -0.0214581700000000, 0.0285194500000000 ] - [ 0.0022717500000000, 0.0037981700000000, -0.0003874200000000 ] - [ 0.0021741200000000, 0.0036041600000000, -0.0003808700000000 ] - [ 0.0003363100000000, -0.0020284100000000, -0.0021890600000000 ] - [ 0.0024701900000000, -0.0039190100000000, -0.0005775300000000 ] - [ -0.0034251900000000, -0.0013723900000000, -0.0035813500000000 ] - [ -0.0028047600000000, -0.0007010500000000, -0.0024008600000000 ] - [ -0.0034641000000000, 0.0013991300000000, -0.0015248300000000 ] - [ -0.0421679200000000, -0.0429585900000000, 0.0118508500000000 ] - [ -0.0024298500000000, -0.0008498000000000, -0.0021729400000000 ] - [ -0.0026823500000000, -0.0005870800000000, -0.0017615400000000 ] - [ -0.0024813700000000, 0.0002341100000000, -0.0022786000000000 ] - [ -0.0024186700000000, 0.0014332000000000, -0.0025866300000000 ] - [ -0.0002721100000000, 0.0085510200000000, -0.0018136400000000 ] - [ 0.0034294100000000, 0.0020416500000000, -0.0078899600000000 ] - [ 0.0035598200000000, -0.0016518900000000, -0.0085331100000000 ] - [ 0.0031940200000000, -0.0021339500000000, -0.0087810000000000 ] - [ -0.0005084700000000, -0.0037142900000000, -0.0000243600000000 ] - [ -0.0010194600000000, -0.0042830200000000, 0.0002052600000000 ] - [ -0.0076498100000000, 0.0050186000000000, -0.0135208200000000 ] - [ -0.0012097600000000, 0.0038252600000000, -0.0002119700000000 ] - [ 0.0011176900000000, -0.0014666400000000, 0.0010943000000000 ] - [ 0.0012464100000000, -0.0015305800000000, 0.0011904800000000 ] - [ 0.0013805500000000, 0.0015742900000000, 0.0012130300000000 ] - [ 0.0022055600000000, -0.0009257700000000, 0.0011535300000000 ] - [ 0.0005894000000000, -0.0042095300000000, 0.0001041500000000 ] - [ 0.0003466300000000, -0.0048417300000000, 0.0012168800000000 ] - [ 0.0001262800000000, 0.0035046600000000, -0.0001699000000000 ] - [ -0.0000927200000000, 0.0051108600000000, 0.0017213600000000 ] - [ 0.0036699800000000, 0.0020118000000000, -0.0084499900000000 ] - [ 0.0043213100000000, 0.0021197300000000, -0.0088025600000000 ] - [ 0.0041364000000000, -0.0018441700000000, -0.0077018400000000 ] - [ 0.0036546400000000, -0.0020778900000000, -0.0083569400000000 ] - [ -0.0012024300000000, -0.0037623700000000, -0.0000456100000000 ] - [ -0.0012218800000000, -0.0033650700000000, -0.0008289800000000 ] - [ -0.0008472400000000, 0.0038363200000000, 0.0000206400000000 ] - [ -0.0003357600000000, 0.0036517800000000, 0.0002662600000000 ] - [ 0.0008670000000000, -0.0012563500000000, 0.0016579700000000 ] - [ 0.0010708800000000, -0.0014240700000000, 0.0011724700000000 ] - [ 0.0026770300000000, 0.0000318300000000, 0.0011976400000000 ] - [ 0.0010592500000000, 0.0016852400000000, 0.0011325900000000 ] - [ 0.0012213700000000, -0.0048497400000000, -0.0005640800000000 ] - [ 0.0004900300000000, -0.0040865900000000, -0.0000118500000000 ] - [ 0.0011680300000000, 0.0045663600000000, 0.0001705600000000 ] - [ 0.0005286700000000, 0.0042903200000000, 0.0000920500000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0026301200000000, 0.0028877000000000, 0.0024035300000000 ] - [ -0.0005992200000000, 0.0038013100000000, -0.0025415900000000 ] - [ -0.0007950400000000, -0.0015473200000000, -0.0020737700000000 ] - [ -0.0024184900000000, -0.0018147100000000, 0.0023085600000000 ] - [ -0.0016809700000000, -0.0026858300000000, 0.0010789000000000 ] - [ -0.0014518100000000, -0.0026989500000000, 0.0031567200000000 ] - [ -0.0015502800000000, 0.0034888300000000, 0.0013140700000000 ] - [ -0.0027049200000000, 0.0032637700000000, 0.0005431800000000 ] - [ -0.0608310600000000, -0.0949417800000000, -0.0039144600000000 ] - [ -0.0135547500000000, 0.0225318800000000, -0.0228153000000000 ] - [ -0.0140400400000000, -0.0183338000000000, -0.0230123800000000 ] - [ -0.0138925400000000, -0.0199583600000000, -0.0235068100000000 ] - [ -0.0046494900000000, 0.0039634100000000, 0.0013878900000000 ] - [ -0.0042738200000000, 0.0047244000000000, 0.0012849700000000 ] - [ -0.0017854400000000, -0.0043167100000000, 0.0015606900000000 ] - [ -0.0047352700000000, -0.0039164200000000, 0.0013216400000000 ] - [ 0.0189148500000000, 0.0216847400000000, 0.0278048000000000 ] - [ 0.0189813000000000, 0.0217792200000000, 0.0284182300000000 ] - [ 0.0179705800000000, -0.0113467800000000, 0.0276986500000000 ] - [ 0.0212316600000000, -0.0089803700000000, 0.0266883900000000 ] - [ 0.0031256700000000, 0.0042557400000000, 0.0023486500000000 ] - [ 0.0022033500000000, 0.0042475700000000, -0.0007474300000000 ] - [ 0.0025113900000000, -0.0031468500000000, -0.0006299500000000 ] - [ 0.0014926600000000, -0.0039995100000000, 0.0002027300000000 ] - [ -0.0026715400000000, 0.0020182200000000, 0.0021436900000000 ] - [ -0.0026384200000000, 0.0024442400000000, 0.0020028600000000 ] - [ -0.0024975700000000, -0.0018553000000000, 0.0020032000000000 ] - [ -0.0025929300000000, -0.0024306100000000, 0.0023891200000000 ] - [ -0.0017367200000000, -0.0032674900000000, 0.0013597700000000 ] - [ -0.0017176700000000, -0.0029663000000000, 0.0012780800000000 ] - [ -0.0045400500000000, 0.0035637800000000, 0.0031373600000000 ] - [ -0.0013881200000000, 0.0037979400000000, 0.0010184500000000 ] - [ -0.0133740700000000, 0.0194395800000000, -0.0231853500000000 ] - [ -0.0139773200000000, 0.0194399500000000, -0.0232917800000000 ] - [ -0.0139069100000000, -0.0186201700000000, -0.0231777200000000 ] - [ -0.0140106100000000, -0.0189482100000000, -0.0231940800000000 ] - [ -0.0043045100000000, 0.0047317800000000, 0.0012788000000000 ] - [ -0.0046928900000000, 0.0042819100000000, 0.0012580400000000 ] - [ -0.0048800200000000, -0.0036355700000000, 0.0014417100000000 ] - [ -0.0001358900000000, -0.0043353100000000, 0.0012894300000000 ] - [ 0.0188404300000000, 0.0217315700000000, 0.0285053100000000 ] - [ 0.0187861700000000, 0.0207854100000000, 0.0285023800000000 ] - [ 0.0190596000000000, -0.0221286200000000, 0.0284379800000000 ] - [ 0.0185729800000000, -0.0208022300000000, 0.0284729700000000 ] - [ 0.0023240400000000, 0.0040895300000000, -0.0004049600000000 ] - [ 0.0023796800000000, 0.0032265400000000, -0.0005544300000000 ] - [ -0.0000691900000000, -0.0034478100000000, -0.0019107200000000 ] - [ 0.0025802700000000, -0.0031491300000000, -0.0002424800000000 ] - [ -0.0023443500000000, 0.0006416400000000, -0.0005764800000000 ] - [ -0.0028635400000000, -0.0015689000000000, -0.0027585200000000 ] - [ -0.0015768100000000, -0.0021076300000000, -0.0041852500000000 ] - [ 0.0408306100000000, 0.0724102700000000, -0.0205535000000000 ] - [ -0.0027699400000000, -0.0012761400000000, -0.0022354000000000 ] - [ -0.0022319800000000, -0.0004379500000000, -0.0026182900000000 ] - [ -0.0034608300000000, 0.0019155000000000, -0.0023593500000000 ] - [ -0.0021466100000000, 0.0001216800000000, -0.0020621600000000 ] - [ -0.0013237300000000, 0.0100588800000000, -0.0010413300000000 ] - [ 0.0032121400000000, -0.0001560900000000, -0.0064157000000000 ] - [ 0.0035473100000000, -0.0028165900000000, -0.0082253900000000 ] - [ 0.0038122000000000, -0.0017210000000000, -0.0088121800000000 ] - [ -0.0013969500000000, -0.0042310300000000, 0.0000303400000000 ] - [ -0.0009476600000000, -0.0041480400000000, 0.0001783700000000 ] - [ -0.0027359300000000, 0.0061400500000000, -0.0026424800000000 ] - [ -0.0010810500000000, 0.0027758200000000, -0.0003139000000000 ] - [ 0.0011422700000000, -0.0018887300000000, 0.0012410600000000 ] - [ 0.0009276200000000, -0.0006144000000000, 0.0008874500000000 ] - [ -0.0000529000000000, 0.0008974300000000, 0.0010900300000000 ] - [ 0.0039064300000000, 0.0008422800000000, 0.0011669500000000 ] - [ 0.0004077300000000, -0.0049783800000000, 0.0000170300000000 ] - [ 0.0014917300000000, -0.0024751600000000, 0.0007781000000000 ] - [ 0.0007341800000000, 0.0036421200000000, 0.0004355400000000 ] - [ -0.0002366900000000, 0.0039453500000000, -0.0013276000000000 ] - [ 0.0035106500000000, 0.0014588000000000, -0.0083865400000000 ] - [ 0.0037830900000000, 0.0027680200000000, -0.0085670400000000 ] - [ 0.0038237500000000, -0.0012859300000000, -0.0077021400000000 ] - [ 0.0034797900000000, -0.0024338300000000, -0.0086748800000000 ] - [ -0.0008737000000000, -0.0045057600000000, -0.0000244100000000 ] - [ -0.0020499300000000, -0.0018377600000000, 0.0002226500000000 ] - [ -0.0010502300000000, 0.0035917200000000, 0.0001049800000000 ] - [ -0.0008550100000000, 0.0036894800000000, -0.0000932700000000 ] - [ 0.0014020300000000, -0.0018413400000000, 0.0008156700000000 ] - [ 0.0012245100000000, -0.0016121900000000, 0.0014350000000000 ] - [ 0.0014434900000000, 0.0037154800000000, 0.0012970800000000 ] - [ 0.0010757600000000, 0.0007005000000000, 0.0012036800000000 ] - [ 0.0011347800000000, -0.0050024100000000, -0.0005197300000000 ] - [ 0.0003512300000000, -0.0042551000000000, 0.0002186500000000 ] - [ -0.0001233400000000, 0.0054223600000000, 0.0002302400000000 ] - [ 0.0006329000000000, 0.0035521000000000, -0.0000948000000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0023969200000000, 0.0015357200000000, 0.0017959400000000 ] - [ -0.0043929500000000, 0.0006381400000000, 0.0066638100000000 ] - [ -0.0042327100000000, -0.0028513900000000, 0.0062746100000000 ] - [ -0.0026086500000000, -0.0026004800000000, 0.0018969400000000 ] - [ -0.0016350800000000, -0.0036699200000000, 0.0014080300000000 ] - [ -0.0018688700000000, -0.0036715700000000, -0.0006942000000000 ] - [ -0.0017658200000000, 0.0028704100000000, 0.0011704800000000 ] - [ -0.0006169600000000, 0.0030927500000000, 0.0019371300000000 ] - [ 0.0305164900000000, 0.1306102100000000, -0.0408447900000000 ] - [ -0.0144403400000000, 0.0153790900000000, -0.0234872800000000 ] - [ -0.0139564900000000, -0.0195707500000000, -0.0232804900000000 ] - [ -0.0141024800000000, -0.0179496000000000, -0.0227897700000000 ] - [ -0.0041833100000000, 0.0048068100000000, 0.0011819700000000 ] - [ -0.0045586400000000, 0.0040439600000000, 0.0012892500000000 ] - [ -0.0070690600000000, -0.0044352700000000, 0.0010051300000000 ] - [ -0.0041026800000000, -0.0048530100000000, 0.0012519600000000 ] - [ 0.0186893600000000, 0.0209831700000000, 0.0291751700000000 ] - [ 0.0186222500000000, 0.0208848000000000, 0.0285653000000000 ] - [ 0.0196351600000000, -0.0314463000000000, 0.0293329700000000 ] - [ 0.0164126300000000, -0.0334119300000000, 0.0303153200000000 ] - [ 0.0015126800000000, 0.0030745500000000, -0.0033547400000000 ] - [ 0.0024340400000000, 0.0030781100000000, -0.0002527400000000 ] - [ 0.0021259500000000, -0.0041769400000000, -0.0003666000000000 ] - [ 0.0031455400000000, -0.0033318200000000, -0.0011973500000000 ] - [ -0.0023569100000000, 0.0023976700000000, 0.0020556800000000 ] - [ -0.0023893000000000, 0.0019694800000000, 0.0021998800000000 ] - [ -0.0025304400000000, -0.0025574800000000, 0.0022000300000000 ] - [ -0.0024355700000000, -0.0019851800000000, 0.0018126000000000 ] - [ -0.0015787900000000, -0.0030890500000000, 0.0011247600000000 ] - [ -0.0015982700000000, -0.0033923000000000, 0.0012057100000000 ] - [ 0.0012311500000000, 0.0027919700000000, -0.0006600800000000 ] - [ -0.0019262400000000, 0.0025583600000000, 0.0014646000000000 ] - [ -0.0146330400000000, 0.0184588300000000, -0.0231080900000000 ] - [ -0.0140231800000000, 0.0184592400000000, -0.0230009800000000 ] - [ -0.0140893900000000, -0.0192840600000000, -0.0231168900000000 ] - [ -0.0139866800000000, -0.0189596900000000, -0.0231007400000000 ] - [ -0.0045281100000000, 0.0040386700000000, 0.0012953400000000 ] - [ -0.0041412100000000, 0.0044860900000000, 0.0013156000000000 ] - [ -0.0039493400000000, -0.0051309200000000, 0.0011319600000000 ] - [ -0.0086782000000000, -0.0044411600000000, 0.0012806900000000 ] - [ 0.0187634500000000, 0.0209361300000000, 0.0284762400000000 ] - [ 0.0188161800000000, 0.0218810400000000, 0.0284781100000000 ] - [ 0.0185396000000000, -0.0205345200000000, 0.0285432000000000 ] - [ 0.0190305500000000, -0.0218648000000000, 0.0285078500000000 ] - [ 0.0023135900000000, 0.0032377000000000, -0.0005930600000000 ] - [ 0.0022580400000000, 0.0040997100000000, -0.0004448700000000 ] - [ 0.0047096300000000, -0.0038726500000000, 0.0009085300000000 ] - [ 0.0020604000000000, -0.0041792900000000, -0.0007524100000000 ] - [ -0.0030093200000000, -0.0021990500000000, -0.0040164800000000 ] - [ -0.0024880500000000, 0.0000107300000000, -0.0018474900000000 ] - [ -0.0037895900000000, 0.0036655600000000, -0.0003946900000000 ] - [ -0.0441187400000000, -0.0683930700000000, 0.0149497700000000 ] - [ -0.0025809400000000, -0.0002844500000000, -0.0023672900000000 ] - [ -0.0031169300000000, -0.0011192500000000, -0.0019816800000000 ] - [ -0.0018889300000000, -0.0003621500000000, -0.0022355400000000 ] - [ -0.0031995900000000, 0.0014514700000000, -0.0025390600000000 ] - [ 0.0086822900000000, -0.0064415000000000, -0.0162929600000000 ] - [ 0.0039183300000000, 0.0042207000000000, -0.0104074700000000 ] - [ 0.0035910400000000, -0.0012582900000000, -0.0086222700000000 ] - [ 0.0033199700000000, -0.0023442400000000, -0.0080329800000000 ] - [ -0.0006657500000000, -0.0034377700000000, -0.0000751000000000 ] - [ -0.0011102000000000, -0.0035181100000000, -0.0002250800000000 ] - [ 0.0006797300000000, 0.0015443700000000, 0.0025950900000000 ] - [ -0.0009809700000000, 0.0048851500000000, 0.0002560400000000 ] - [ 0.0010723300000000, -0.0010466600000000, 0.0011479800000000 ] - [ 0.0012896400000000, -0.0023248500000000, 0.0015086500000000 ] - [ 0.0022749000000000, 0.0020359900000000, 0.0013007100000000 ] - [ -0.0016826400000000, 0.0021145400000000, 0.0012201400000000 ] - [ 0.0005799700000000, -0.0035162000000000, 0.0001399500000000 ] - [ -0.0005013000000000, -0.0060123300000000, -0.0006242100000000 ] - [ 0.0002502100000000, 0.0048448100000000, -0.0002838300000000 ] - [ 0.0012207000000000, 0.0045579700000000, 0.0014786200000000 ] - [ 0.0036261400000000, 0.0026119700000000, -0.0084593100000000 ] - [ 0.0033566700000000, 0.0013001600000000, -0.0082811500000000 ] - [ 0.0033168300000000, -0.0027828700000000, -0.0091420500000000 ] - [ 0.0036571100000000, -0.0016357000000000, -0.0081744300000000 ] - [ -0.0011849000000000, -0.0031624200000000, -0.0000229900000000 ] - [ -0.0000147400000000, -0.0058235100000000, -0.0002712800000000 ] - [ -0.0010089700000000, 0.0040739800000000, -0.0001559100000000 ] - [ -0.0012058700000000, 0.0039793000000000, 0.0000453900000000 ] - [ 0.0008131600000000, -0.0010951000000000, 0.0015715600000000 ] - [ 0.0009905600000000, -0.0013225500000000, 0.0009564400000000 ] - [ 0.0007778400000000, -0.0007841400000000, 0.0010902500000000 ] - [ 0.0011371600000000, 0.0022362200000000, 0.0011857200000000 ] - [ -0.0001437200000000, -0.0034919900000000, 0.0006765700000000 ] - [ 0.0006355100000000, -0.0042351800000000, -0.0000630900000000 ] - [ 0.0011033000000000, 0.0030663500000000, -0.0000755200000000 ] - [ 0.0003567300000000, 0.0049396400000000, 0.0002492900000000 ]- atom: 9 displacement: [ -0.0034429113111456, 0.0000000000000000, 0.0093886293836526 ] forces: - [ -0.0025596900000000, 0.0022480700000000, 0.0020251700000000 ] - [ -0.0053063600000000, -0.0049562700000000, 0.0083659300000000 ] - [ -0.0050363900000000, -0.0051311500000000, 0.0075780200000000 ] - [ -0.0026421200000000, -0.0023125100000000, 0.0024193100000000 ] - [ -0.0016024000000000, -0.0032886600000000, 0.0013095500000000 ] - [ -0.0004465800000000, -0.0020910700000000, 0.0054669900000000 ] - [ -0.0015669100000000, 0.0032413800000000, 0.0010592000000000 ] - [ -0.0010304200000000, 0.0027819200000000, 0.0009560800000000 ] - [ 0.0138593900000000, 0.0520018100000000, -0.0924638900000000 ] - [ -0.0140432700000000, 0.0191123800000000, -0.0231325200000000 ] - [ -0.0140137000000000, -0.0190925000000000, -0.0230302100000000 ] - [ -0.0142495600000000, -0.0185812400000000, -0.0222531900000000 ] - [ -0.0044750100000000, 0.0042450400000000, 0.0021332300000000 ] - [ -0.0044835400000000, 0.0043409900000000, 0.0014025200000000 ] - [ -0.0057848200000000, -0.0048755000000000, 0.0004456300000000 ] - [ -0.0046364200000000, -0.0044108200000000, 0.0011294200000000 ] - [ 0.0184797900000000, 0.0210789400000000, 0.0297927400000000 ] - [ 0.0183693200000000, 0.0209126500000000, 0.0289186500000000 ] - [ 0.0198907300000000, -0.0219853700000000, 0.0269160900000000 ] - [ 0.0202776400000000, -0.0179409200000000, 0.0257108800000000 ] - [ 0.0039052800000000, 0.0057986500000000, 0.0030029100000000 ] - [ 0.0025239500000000, 0.0033433500000000, -0.0004691000000000 ] - [ 0.0021908900000000, -0.0038481500000000, -0.0005639800000000 ] - [ 0.0012578000000000, -0.0030613200000000, -0.0000938800000000 ] - [ -0.0029760400000000, 0.0023109700000000, 0.0019900300000000 ] - [ -0.0024705400000000, 0.0020991000000000, 0.0020751200000000 ] - [ -0.0023843600000000, -0.0023592000000000, 0.0022735800000000 ] - [ -0.0023965600000000, -0.0021379700000000, 0.0020365400000000 ] - [ -0.0016936400000000, -0.0032034200000000, 0.0016709800000000 ] - [ -0.0017178100000000, -0.0031272100000000, 0.0014059100000000 ] - [ -0.0055398100000000, 0.0049567100000000, 0.0033109600000000 ] - [ -0.0017399300000000, 0.0030331100000000, 0.0010966200000000 ] - [ -0.0143847900000000, 0.0188054700000000, -0.0233235200000000 ] - [ -0.0141031600000000, 0.0186986200000000, -0.0232214100000000 ] - [ -0.0137409400000000, -0.0188936500000000, -0.0226168300000000 ] - [ -0.0137969700000000, -0.0189127100000000, -0.0229663900000000 ] - [ -0.0043678200000000, 0.0046319800000000, 0.0014818200000000 ] - [ -0.0040281100000000, 0.0041460800000000, 0.0016783500000000 ] - [ -0.0042837800000000, -0.0045099100000000, 0.0011436400000000 ] - [ -0.0058235200000000, -0.0059359600000000, -0.0011271500000000 ] - [ 0.0188157100000000, 0.0213142300000000, 0.0285790300000000 ] - [ 0.0192212900000000, 0.0213436400000000, 0.0287267100000000 ] - [ 0.0185643600000000, -0.0211767900000000, 0.0283197000000000 ] - [ 0.0187680500000000, -0.0213891700000000, 0.0284258700000000 ] - [ 0.0022485500000000, 0.0037759200000000, -0.0003239300000000 ] - [ 0.0020489200000000, 0.0036058300000000, 0.0000070800000000 ] - [ 0.0039680000000000, -0.0043041300000000, 0.0008842500000000 ] - [ 0.0024719100000000, -0.0036974600000000, -0.0006047800000000 ] - [ -0.0030305100000000, -0.0018133400000000, -0.0048311400000000 ] - [ -0.0024836700000000, -0.0002974800000000, -0.0024984800000000 ] - [ -0.0032070500000000, 0.0008852200000000, -0.0015205900000000 ] - [ -0.0289644500000000, -0.0311237000000000, 0.0198801000000000 ] - [ -0.0027936800000000, -0.0008611700000000, -0.0025657600000000 ] - [ -0.0033875300000000, -0.0007765900000000, -0.0023994300000000 ] - [ -0.0021605500000000, 0.0002860800000000, -0.0016577400000000 ] - [ -0.0025580000000000, 0.0010629100000000, -0.0021842200000000 ] - [ -0.0026386500000000, 0.0107212700000000, 0.0022792200000000 ] - [ 0.0032575800000000, 0.0027080800000000, -0.0068673800000000 ] - [ 0.0036437800000000, -0.0012743200000000, -0.0087347700000000 ] - [ 0.0044479500000000, -0.0024802700000000, -0.0092624000000000 ] - [ -0.0018585600000000, -0.0044075400000000, 0.0001345200000000 ] - [ -0.0011193200000000, -0.0037072300000000, -0.0002321200000000 ] - [ 0.0093575400000000, 0.0022389700000000, 0.0203782600000000 ] - [ -0.0010430300000000, 0.0038628600000000, -0.0001609000000000 ] - [ 0.0010718100000000, -0.0014540100000000, 0.0010044700000000 ] - [ 0.0007045500000000, -0.0007480200000000, -0.0001237100000000 ] - [ 0.0011950700000000, 0.0016777800000000, 0.0013278000000000 ] - [ 0.0019637400000000, 0.0003458800000000, 0.0020899700000000 ] - [ 0.0005083800000000, -0.0041083300000000, 0.0001426000000000 ] - [ -0.0014219700000000, -0.0042042200000000, -0.0014748800000000 ] - [ 0.0005666600000000, 0.0048408900000000, 0.0000614700000000 ] - [ -0.0006926000000000, 0.0039541600000000, 0.0012637000000000 ] - [ 0.0035325000000000, 0.0021100100000000, -0.0082881500000000 ] - [ 0.0033602300000000, 0.0019140700000000, -0.0082574200000000 ] - [ 0.0031802800000000, -0.0022657800000000, -0.0092540900000000 ] - [ 0.0035755800000000, -0.0020062800000000, -0.0085141900000000 ] - [ -0.0010930800000000, -0.0037763900000000, -0.0000905800000000 ] - [ 0.0005758400000000, -0.0043305500000000, -0.0013653200000000 ] - [ -0.0009973500000000, 0.0038483700000000, 0.0000096200000000 ] - [ -0.0004954300000000, 0.0035038700000000, 0.0001221100000000 ] - [ 0.0020476200000000, -0.0019083100000000, 0.0001788900000000 ] - [ 0.0009852700000000, -0.0011352000000000, 0.0007771800000000 ] - [ 0.0014214000000000, 0.0008816900000000, 0.0025642200000000 ] - [ 0.0010357000000000, 0.0016047400000000, 0.0013494900000000 ] - [ 0.0013700600000000, -0.0049451600000000, -0.0012090200000000 ] - [ 0.0005970100000000, -0.0041394400000000, 0.0000195400000000 ] - [ 0.0014759200000000, 0.0043516400000000, 0.0002685500000000 ] - [ 0.0005343800000000, 0.0043610300000000, 0.0000928500000000 ]- atom: 9 displacement: [ 0.0034429113111456, 0.0000000000000000, -0.0093886293836526 ] forces: - [ -0.0024689400000000, 0.0021730800000000, 0.0021811300000000 ] - [ 0.0003195200000000, 0.0094903700000000, -0.0042857800000000 ] - [ -0.0000322300000000, 0.0006589300000000, -0.0033353500000000 ] - [ -0.0023848600000000, -0.0020999700000000, 0.0017793100000000 ] - [ -0.0017138300000000, -0.0030680800000000, 0.0011717100000000 ] - [ -0.0028521600000000, -0.0042375200000000, -0.0029346700000000 ] - [ -0.0017473800000000, 0.0031148600000000, 0.0014252000000000 ] - [ -0.0022844400000000, 0.0035759700000000, 0.0015338200000000 ] - [ -0.0427829600000000, -0.0141047200000000, 0.0455771800000000 ] - [ -0.0139565900000000, 0.0187866000000000, -0.0231549800000000 ] - [ -0.0139828100000000, -0.0188119800000000, -0.0232640400000000 ] - [ -0.0137464700000000, -0.0193266800000000, -0.0240397300000000 ] - [ -0.0043575600000000, 0.0045230800000000, 0.0004384500000000 ] - [ -0.0043487400000000, 0.0044293300000000, 0.0011707900000000 ] - [ -0.0030549600000000, -0.0038872000000000, 0.0021121400000000 ] - [ -0.0041960900000000, -0.0043593800000000, 0.0014449900000000 ] - [ 0.0191228700000000, 0.0215855200000000, 0.0271925000000000 ] - [ 0.0192336000000000, 0.0217566000000000, 0.0280648000000000 ] - [ 0.0177246100000000, -0.0206357200000000, 0.0300224200000000 ] - [ 0.0173149200000000, -0.0247554500000000, 0.0312591000000000 ] - [ 0.0007147700000000, 0.0015106200000000, -0.0040199600000000 ] - [ 0.0021129700000000, 0.0039859700000000, -0.0005269500000000 ] - [ 0.0024480800000000, -0.0034797200000000, -0.0004339700000000 ] - [ 0.0033656300000000, -0.0042542900000000, -0.0008987300000000 ] - [ -0.0020511600000000, 0.0021037800000000, 0.0022102500000000 ] - [ -0.0025569900000000, 0.0023150700000000, 0.0021286800000000 ] - [ -0.0026441400000000, -0.0020553500000000, 0.0019286300000000 ] - [ -0.0026327900000000, -0.0022764200000000, 0.0021646000000000 ] - [ -0.0016227800000000, -0.0031546100000000, 0.0008146000000000 ] - [ -0.0015995000000000, -0.0032280400000000, 0.0010784600000000 ] - [ 0.0022591100000000, 0.0013901800000000, -0.0008384200000000 ] - [ -0.0015763900000000, 0.0033255400000000, 0.0013899900000000 ] - [ -0.0136189900000000, 0.0190943200000000, -0.0229693900000000 ] - [ -0.0138960100000000, 0.0192045500000000, -0.0230721000000000 ] - [ -0.0142564200000000, -0.0190135900000000, -0.0236782800000000 ] - [ -0.0141990600000000, -0.0189921000000000, -0.0233268900000000 ] - [ -0.0044647100000000, 0.0041354500000000, 0.0010922700000000 ] - [ -0.0048064600000000, 0.0046223500000000, 0.0008959900000000 ] - [ -0.0045511700000000, -0.0042578400000000, 0.0014302100000000 ] - [ -0.0030236800000000, -0.0028336700000000, 0.0037188900000000 ] - [ 0.0187876100000000, 0.0213530200000000, 0.0284020300000000 ] - [ 0.0183835400000000, 0.0213218200000000, 0.0282551200000000 ] - [ 0.0190334800000000, -0.0214869900000000, 0.0286615900000000 ] - [ 0.0188359100000000, -0.0212789700000000, 0.0285552800000000 ] - [ 0.0023884300000000, 0.0035493000000000, -0.0006744600000000 ] - [ 0.0025888300000000, 0.0037207000000000, -0.0010001500000000 ] - [ 0.0006704600000000, -0.0030203500000000, -0.0018756600000000 ] - [ 0.0021638100000000, -0.0036293400000000, -0.0003950100000000 ] - [ -0.0023229800000000, 0.0002573100000000, 0.0002298500000000 ] - [ -0.0028663400000000, -0.0012666700000000, -0.0021008900000000 ] - [ -0.0021349700000000, 0.0006751800000000, -0.0030824100000000 ] - [ 0.0239249300000000, 0.0332893000000000, -0.0243647300000000 ] - [ -0.0025575700000000, -0.0006979600000000, -0.0020348500000000 ] - [ -0.0019614500000000, -0.0007833200000000, -0.0022017000000000 ] - [ -0.0031797700000000, 0.0012716800000000, -0.0029391300000000 ] - [ -0.0027946300000000, 0.0005057800000000, -0.0024190100000000 ] - [ 0.0099124000000000, -0.0071435300000000, -0.0193739000000000 ] - [ 0.0038822800000000, 0.0013567600000000, -0.0099929700000000 ] - [ 0.0034926500000000, -0.0027928200000000, -0.0081128000000000 ] - [ 0.0026928400000000, -0.0015913400000000, -0.0075880800000000 ] - [ -0.0002025800000000, -0.0032590700000000, -0.0001814800000000 ] - [ -0.0009393500000000, -0.0039595700000000, 0.0001831900000000 ] - [ -0.0109215000000000, 0.0052315100000000, -0.0196125600000000 ] - [ -0.0010157500000000, 0.0038031800000000, 0.0001164700000000 ] - [ 0.0011435300000000, -0.0014828600000000, 0.0013868700000000 ] - [ 0.0015094200000000, -0.0021806300000000, 0.0025086300000000 ] - [ 0.0010102700000000, 0.0012626600000000, 0.0010599900000000 ] - [ 0.0002406800000000, 0.0025861500000000, 0.0003060300000000 ] - [ 0.0004760400000000, -0.0043865800000000, 0.0000112700000000 ] - [ 0.0024135900000000, -0.0042822500000000, 0.0016324900000000 ] - [ 0.0004245900000000, 0.0036495700000000, 0.0000957200000000 ] - [ 0.0016795500000000, 0.0045356600000000, -0.0010966800000000 ] - [ 0.0036044200000000, 0.0019610100000000, -0.0085585200000000 ] - [ 0.0037771700000000, 0.0021530300000000, -0.0085909400000000 ] - [ 0.0039599800000000, -0.0018036800000000, -0.0075916400000000 ] - [ 0.0035640000000000, -0.0020642700000000, -0.0083317700000000 ] - [ -0.0009629600000000, -0.0038919100000000, 0.0000414700000000 ] - [ -0.0026420200000000, -0.0033290900000000, 0.0013185600000000 ] - [ -0.0010619100000000, 0.0038192800000000, -0.0000598800000000 ] - [ -0.0015584400000000, 0.0041586300000000, -0.0001670700000000 ] - [ 0.0001673200000000, -0.0010285700000000, 0.0022080500000000 ] - [ 0.0012319200000000, -0.0018036000000000, 0.0016141600000000 ] - [ 0.0008028200000000, 0.0020471800000000, -0.0001761600000000 ] - [ 0.0011804200000000, 0.0013305600000000, 0.0010395500000000 ] - [ -0.0003816600000000, -0.0035452900000000, 0.0013682600000000 ] - [ 0.0003902400000000, -0.0043555200000000, 0.0001340500000000 ] - [ -0.0004875100000000, 0.0041436000000000, -0.0001170900000000 ] - [ 0.0004524400000000, 0.0041314700000000, 0.0000640100000000 ]- atom: 13 displacement: [ 0.0099999983939046, 0.0000000000000000, 0.0000056676190151 ] forces: - [ -0.0025952800000000, 0.0022528000000000, 0.0018826800000000 ] - [ -0.0023934600000000, 0.0020505600000000, 0.0017597100000000 ] - [ -0.0001566600000000, -0.0030238400000000, 0.0059194500000000 ] - [ -0.0026032600000000, -0.0021465800000000, 0.0021813100000000 ] - [ -0.0020020800000000, -0.0030534000000000, 0.0013151700000000 ] - [ -0.0025459900000000, -0.0024079900000000, 0.0006164900000000 ] - [ -0.0014512400000000, 0.0030722900000000, 0.0013421900000000 ] - [ -0.0014928300000000, 0.0032856500000000, 0.0014216900000000 ] - [ -0.0140848600000000, 0.0187193100000000, -0.0232418000000000 ] - [ -0.0140426900000000, 0.0190948800000000, -0.0232346600000000 ] - [ -0.0143276900000000, -0.0184894700000000, -0.0231257300000000 ] - [ -0.0084437600000000, -0.0231760400000000, -0.0225868100000000 ] - [ -0.1380148900000000, -0.0040263100000000, -0.0243003400000000 ] - [ -0.0046144000000000, 0.0044523100000000, 0.0011830300000000 ] - [ -0.0030173600000000, -0.0044067300000000, 0.0029339300000000 ] - [ -0.0043297100000000, -0.0043665400000000, 0.0013910700000000 ] - [ 0.0284348000000000, 0.0257433100000000, 0.0299021700000000 ] - [ 0.0188513900000000, 0.0211761800000000, 0.0284560500000000 ] - [ 0.0188086100000000, -0.0212250000000000, 0.0284256300000000 ] - [ 0.0187659200000000, -0.0213474000000000, 0.0282973900000000 ] - [ 0.0030505600000000, 0.0034572000000000, -0.0006322400000000 ] - [ 0.0024567300000000, 0.0037397300000000, -0.0005051200000000 ] - [ 0.0024984400000000, -0.0035008500000000, -0.0001559900000000 ] - [ 0.0025119000000000, -0.0039532500000000, -0.0000414200000000 ] - [ -0.0009717200000000, 0.0020009400000000, 0.0074366000000000 ] - [ -0.0024360500000000, 0.0023196400000000, 0.0021750000000000 ] - [ -0.0023644200000000, -0.0023971500000000, 0.0019634700000000 ] - [ -0.0023348600000000, -0.0018713700000000, 0.0017873900000000 ] - [ -0.0009547800000000, -0.0032185400000000, 0.0013944500000000 ] - [ -0.0015064800000000, -0.0031046500000000, 0.0012186800000000 ] - [ -0.0011883700000000, 0.0028611000000000, -0.0006120500000000 ] - [ -0.0018570800000000, 0.0032916500000000, 0.0012346300000000 ] - [ -0.0139726900000000, 0.0186767700000000, -0.0227238300000000 ] - [ -0.0138715500000000, 0.0190645800000000, -0.0230502900000000 ] - [ -0.0116253100000000, -0.0216117500000000, -0.0237363400000000 ] - [ -0.0135141400000000, -0.0186363000000000, -0.0232029900000000 ] - [ -0.0022315100000000, 0.0042188000000000, 0.0015561300000000 ] - [ -0.0022306200000000, 0.0054137700000000, 0.0014926200000000 ] - [ -0.0045599900000000, -0.0043672700000000, 0.0012004900000000 ] - [ -0.0045651500000000, -0.0044819100000000, 0.0010466600000000 ] - [ 0.0191749800000000, 0.0212043300000000, 0.0284316500000000 ] - [ 0.0253406700000000, 0.0252116500000000, 0.0277258100000000 ] - [ 0.0186670800000000, -0.0211819800000000, 0.0289914400000000 ] - [ 0.0188427300000000, -0.0213111500000000, 0.0285280600000000 ] - [ 0.0017490300000000, 0.0031345900000000, -0.0006814800000000 ] - [ 0.0016326200000000, 0.0049493600000000, -0.0003156000000000 ] - [ 0.0023929900000000, -0.0036679100000000, -0.0015019900000000 ] - [ 0.0022606900000000, -0.0035467900000000, -0.0005909800000000 ] - [ 0.0964120900000000, -0.0041067300000000, 0.0201685000000000 ] - [ -0.0019775900000000, -0.0009621800000000, -0.0025804600000000 ] - [ -0.0024029100000000, 0.0006276500000000, -0.0019647500000000 ] - [ -0.0023636100000000, 0.0009232800000000, -0.0019113300000000 ] - [ -0.0031990700000000, 0.0003817500000000, -0.0018815700000000 ] - [ -0.0037269500000000, -0.0036096400000000, -0.0010974400000000 ] - [ -0.0022611800000000, 0.0015866600000000, -0.0046921900000000 ] - [ -0.0028678700000000, 0.0006911800000000, -0.0023999900000000 ] - [ 0.0032483100000000, 0.0020156300000000, -0.0083658600000000 ] - [ 0.0036034900000000, 0.0020669900000000, -0.0084222200000000 ] - [ 0.0042738900000000, -0.0034543300000000, -0.0097096100000000 ] - [ 0.0046169300000000, -0.0004985700000000, -0.0097025100000000 ] - [ -0.0021641800000000, -0.0035010300000000, -0.0001682100000000 ] - [ -0.0011671900000000, -0.0039345800000000, -0.0001193400000000 ] - [ 0.0003238300000000, 0.0043873000000000, 0.0008127300000000 ] - [ -0.0009194200000000, 0.0037401000000000, -0.0000252000000000 ] - [ 0.0012490800000000, -0.0013030000000000, 0.0014103900000000 ] - [ 0.0012293400000000, 0.0019625900000000, 0.0029288500000000 ] - [ 0.0009678000000000, 0.0015682100000000, 0.0009108600000000 ] - [ 0.0011285400000000, 0.0015314400000000, 0.0008998400000000 ] - [ 0.0002759500000000, -0.0043218500000000, 0.0001521900000000 ] - [ -0.0004278800000000, -0.0042086600000000, -0.0002610800000000 ] - [ 0.0006849800000000, 0.0046296000000000, 0.0002462400000000 ] - [ 0.0003693500000000, 0.0041280400000000, 0.0002610700000000 ] - [ 0.0035445000000000, 0.0021504000000000, -0.0083959200000000 ] - [ 0.0034519600000000, 0.0015380900000000, -0.0087492800000000 ] - [ 0.0025689300000000, -0.0014081000000000, -0.0074884400000000 ] - [ 0.0035028600000000, -0.0021397500000000, -0.0082776800000000 ] - [ -0.0006190900000000, -0.0040626300000000, 0.0002945100000000 ] - [ 0.0000239300000000, -0.0029270900000000, 0.0019288000000000 ] - [ -0.0013561900000000, 0.0037600300000000, -0.0003038400000000 ] - [ -0.0014363600000000, 0.0038057200000000, -0.0000529800000000 ] - [ -0.0013511900000000, -0.0009066400000000, 0.0010299700000000 ] - [ 0.0009085600000000, -0.0016427000000000, 0.0011410300000000 ] - [ 0.0014719300000000, 0.0014813400000000, 0.0018763800000000 ] - [ 0.0011323700000000, 0.0014218000000000, 0.0012214000000000 ] - [ 0.0037605200000000, -0.0001705600000000, -0.0072384500000000 ] - [ 0.0005986600000000, -0.0048000100000000, 0.0002906100000000 ] - [ -0.0006413400000000, 0.0046409500000000, -0.0007874100000000 ] - [ 0.0003959700000000, 0.0040481000000000, 0.0000510100000000 ]- atom: 13 displacement: [ -0.0099999983939046, 0.0000000000000000, -0.0000056676190151 ] forces: - [ -0.0024293400000000, 0.0021623800000000, 0.0023217000000000 ] - [ -0.0026321300000000, 0.0023628500000000, 0.0024452900000000 ] - [ -0.0049153900000000, -0.0013924600000000, -0.0017889400000000 ] - [ -0.0024227600000000, -0.0022679300000000, 0.0020203900000000 ] - [ -0.0013128100000000, -0.0033028400000000, 0.0011713900000000 ] - [ -0.0007699800000000, -0.0039561700000000, 0.0018781900000000 ] - [ -0.0018671300000000, 0.0032864800000000, 0.0011428400000000 ] - [ -0.0018251200000000, 0.0030711000000000, 0.0010639500000000 ] - [ -0.0139089400000000, 0.0191853700000000, -0.0230533000000000 ] - [ -0.0139529200000000, 0.0188101100000000, -0.0230583500000000 ] - [ -0.0136656500000000, -0.0194199100000000, -0.0231676800000000 ] - [ -0.0196726100000000, -0.0146328500000000, -0.0237191100000000 ] - [ 0.1340875900000000, 0.0126729400000000, 0.0285378800000000 ] - [ -0.0042161700000000, 0.0043164400000000, 0.0013923200000000 ] - [ -0.0058114700000000, -0.0043628800000000, -0.0003597900000000 ] - [ -0.0045043500000000, -0.0044022200000000, 0.0011821400000000 ] - [ 0.0089812000000000, 0.0167894400000000, 0.0270897600000000 ] - [ 0.0187552600000000, 0.0214923000000000, 0.0285253000000000 ] - [ 0.0187963700000000, -0.0214416300000000, 0.0285553000000000 ] - [ 0.0188387600000000, -0.0213198900000000, 0.0286849300000000 ] - [ 0.0015846100000000, 0.0038703900000000, -0.0003636200000000 ] - [ 0.0021805200000000, 0.0035866300000000, -0.0004908600000000 ] - [ 0.0021391500000000, -0.0038256300000000, -0.0008436800000000 ] - [ 0.0021248100000000, -0.0033724500000000, -0.0009593000000000 ] - [ -0.0041015400000000, 0.0024065200000000, -0.0032496100000000 ] - [ -0.0025943100000000, 0.0020946300000000, 0.0020273000000000 ] - [ -0.0026643500000000, -0.0020182100000000, 0.0022340800000000 ] - [ -0.0026935800000000, -0.0025423600000000, 0.0024128500000000 ] - [ -0.0023596700000000, -0.0031390900000000, 0.0010900700000000 ] - [ -0.0018098400000000, -0.0032526800000000, 0.0012646800000000 ] - [ -0.0021179200000000, 0.0034985500000000, 0.0030863600000000 ] - [ -0.0014552200000000, 0.0030659300000000, 0.0012489300000000 ] - [ -0.0140251300000000, 0.0192284800000000, -0.0235726600000000 ] - [ -0.0141258500000000, 0.0188409700000000, -0.0232470100000000 ] - [ -0.0163460400000000, -0.0163274400000000, -0.0225587900000000 ] - [ -0.0144857600000000, -0.0192687300000000, -0.0230901600000000 ] - [ -0.0065916100000000, 0.0045409400000000, 0.0010187000000000 ] - [ -0.0065907100000000, 0.0033568800000000, 0.0010803700000000 ] - [ -0.0042727200000000, -0.0044023100000000, 0.0013732100000000 ] - [ -0.0042675600000000, -0.0042884600000000, 0.0015259500000000 ] - [ 0.0184246200000000, 0.0214569500000000, 0.0285493600000000 ] - [ 0.0123275500000000, 0.0174908300000000, 0.0292602100000000 ] - [ 0.0189349800000000, -0.0214831500000000, 0.0279893500000000 ] - [ 0.0187606900000000, -0.0213557900000000, 0.0284510800000000 ] - [ 0.0028905600000000, 0.0042104000000000, -0.0003303000000000 ] - [ 0.0030061600000000, 0.0023518400000000, -0.0006953900000000 ] - [ 0.0022451800000000, -0.0036583100000000, 0.0004967400000000 ] - [ 0.0023758400000000, -0.0037798100000000, -0.0004073600000000 ] - [ -0.1064485700000000, 0.0027057500000000, -0.0263246500000000 ] - [ -0.0033780500000000, -0.0005973500000000, -0.0020171500000000 ] - [ -0.0029478300000000, 0.0009386300000000, -0.0026385700000000 ] - [ -0.0029875200000000, 0.0006443400000000, -0.0026918400000000 ] - [ -0.0021288600000000, -0.0019532300000000, -0.0027144700000000 ] - [ -0.0016154400000000, 0.0020432300000000, -0.0034960600000000 ] - [ -0.0030850000000000, -0.0000217900000000, 0.0001066200000000 ] - [ -0.0024806400000000, 0.0008753500000000, -0.0021990300000000 ] - [ 0.0038822400000000, 0.0020505400000000, -0.0084815300000000 ] - [ 0.0035325000000000, 0.0020019600000000, -0.0084255700000000 ] - [ 0.0028569800000000, -0.0006079600000000, -0.0071276600000000 ] - [ 0.0025130400000000, -0.0035801100000000, -0.0071362600000000 ] - [ 0.0001090700000000, -0.0041713700000000, 0.0001177500000000 ] - [ -0.0008895900000000, -0.0037331800000000, 0.0000697200000000 ] - [ -0.0023843400000000, 0.0032763700000000, -0.0008560400000000 ] - [ -0.0011398200000000, 0.0039245400000000, -0.0000227400000000 ] - [ 0.0009710200000000, -0.0016390000000000, 0.0009732600000000 ] - [ 0.0009488000000000, -0.0048334900000000, -0.0005545800000000 ] - [ 0.0012472500000000, 0.0013671100000000, 0.0014811300000000 ] - [ 0.0010855500000000, 0.0014029800000000, 0.0014917300000000 ] - [ 0.0007131800000000, -0.0041702400000000, -0.0000019200000000 ] - [ 0.0014147000000000, -0.0042847400000000, 0.0004102100000000 ] - [ 0.0003056900000000, 0.0038622400000000, -0.0000906500000000 ] - [ 0.0006214600000000, 0.0043642000000000, -0.0001039200000000 ] - [ 0.0035998500000000, 0.0019195500000000, -0.0084451100000000 ] - [ 0.0036907900000000, 0.0025315200000000, -0.0080926000000000 ] - [ 0.0045721200000000, -0.0026571700000000, -0.0093625000000000 ] - [ 0.0036359000000000, -0.0019291700000000, -0.0085686100000000 ] - [ -0.0014498000000000, -0.0036053800000000, -0.0003459500000000 ] - [ -0.0021002700000000, -0.0047357800000000, -0.0019854900000000 ] - [ -0.0007023700000000, 0.0039047900000000, 0.0002597100000000 ] - [ -0.0006213300000000, 0.0038588200000000, 0.0000079000000000 ] - [ 0.0035735800000000, -0.0020418300000000, 0.0013627200000000 ] - [ 0.0013077500000000, -0.0012958000000000, 0.0012482400000000 ] - [ 0.0007458600000000, 0.0014544400000000, 0.0005197200000000 ] - [ 0.0010825400000000, 0.0015136800000000, 0.0011700800000000 ] - [ -0.0027079600000000, -0.0083309500000000, 0.0073887400000000 ] - [ 0.0003871500000000, -0.0036840500000000, -0.0001389000000000 ] - [ 0.0016328300000000, 0.0038511700000000, 0.0009435800000000 ] - [ 0.0005922500000000, 0.0044451900000000, 0.0001059400000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0024825000000000, 0.0022931300000000, 0.0017651400000000 ] - [ -0.0026985100000000, 0.0021109800000000, 0.0023136200000000 ] - [ -0.0021354300000000, -0.0046803700000000, 0.0027980000000000 ] - [ -0.0025097900000000, -0.0017488000000000, 0.0020593700000000 ] - [ -0.0017992600000000, -0.0025657400000000, 0.0016955500000000 ] - [ -0.0009914800000000, 0.0011439300000000, -0.0032814100000000 ] - [ -0.0017528000000000, 0.0032084600000000, 0.0011958700000000 ] - [ -0.0016222000000000, 0.0031540800000000, 0.0013340200000000 ] - [ -0.0140529500000000, 0.0185305100000000, -0.0233154000000000 ] - [ -0.0139744000000000, 0.0192933900000000, -0.0231860300000000 ] - [ -0.0140641800000000, -0.0182042600000000, -0.0230367000000000 ] - [ -0.0192401100000000, -0.0188945300000000, -0.0234058300000000 ] - [ -0.0131746900000000, -0.0550123900000000, 0.0158917200000000 ] - [ -0.0043488900000000, 0.0050203700000000, 0.0012376000000000 ] - [ -0.0043907600000000, -0.0044119900000000, 0.0010650800000000 ] - [ -0.0044343800000000, -0.0042160200000000, 0.0013214100000000 ] - [ 0.0292785000000000, 0.0228880600000000, 0.0293994900000000 ] - [ 0.0187453800000000, 0.0218477100000000, 0.0284543300000000 ] - [ 0.0187981500000000, -0.0214254900000000, 0.0284446300000000 ] - [ 0.0186842400000000, -0.0210270600000000, 0.0281646000000000 ] - [ 0.0026134300000000, 0.0031238800000000, -0.0006365200000000 ] - [ 0.0023307500000000, 0.0040057200000000, -0.0004637700000000 ] - [ 0.0023585800000000, -0.0035139200000000, -0.0003061300000000 ] - [ 0.0021727400000000, -0.0037655100000000, -0.0007010300000000 ] - [ -0.0033372200000000, 0.0012619000000000, 0.0007060800000000 ] - [ -0.0024632800000000, 0.0028839200000000, 0.0022420700000000 ] - [ -0.0023752900000000, -0.0022251700000000, 0.0021161900000000 ] - [ -0.0023864600000000, -0.0021701400000000, 0.0020142500000000 ] - [ -0.0012693400000000, -0.0035249600000000, 0.0013161800000000 ] - [ -0.0016107600000000, -0.0029260800000000, 0.0012158700000000 ] - [ -0.0017345600000000, 0.0028215300000000, 0.0007534200000000 ] - [ -0.0016608700000000, 0.0039384300000000, 0.0011084800000000 ] - [ -0.0140201300000000, 0.0188515100000000, -0.0234086400000000 ] - [ -0.0138729600000000, 0.0192992700000000, -0.0228355500000000 ] - [ -0.0156620600000000, -0.0188824800000000, -0.0232300600000000 ] - [ -0.0140376200000000, -0.0184868900000000, -0.0231332400000000 ] - [ -0.0033885100000000, 0.0047174000000000, 0.0014229600000000 ] - [ -0.0045779800000000, 0.0047138200000000, 0.0011651000000000 ] - [ -0.0044345400000000, -0.0042870900000000, 0.0012096900000000 ] - [ -0.0043194800000000, -0.0046597300000000, 0.0010282800000000 ] - [ 0.0190455300000000, 0.0216108500000000, 0.0285558300000000 ] - [ 0.0220407600000000, 0.0220480900000000, 0.0285285900000000 ] - [ 0.0189522700000000, -0.0217013600000000, 0.0284098900000000 ] - [ 0.0187323500000000, -0.0209513400000000, 0.0282961100000000 ] - [ 0.0020500500000000, 0.0071554200000000, -0.0025960300000000 ] - [ 0.0024975300000000, 0.0078672400000000, 0.0019024200000000 ] - [ 0.0025532200000000, -0.0040977400000000, -0.0007778700000000 ] - [ 0.0023669900000000, -0.0030784000000000, -0.0006504800000000 ] - [ -0.0081479300000000, 0.0108966500000000, -0.0051774200000000 ] - [ -0.0025185200000000, -0.0016697400000000, -0.0023816000000000 ] - [ -0.0027064500000000, 0.0006794200000000, -0.0018819500000000 ] - [ -0.0024737900000000, 0.0011079400000000, -0.0023472400000000 ] - [ -0.0035826800000000, -0.0003164900000000, -0.0024297100000000 ] - [ -0.0025565300000000, -0.0012312000000000, -0.0018874800000000 ] - [ -0.0029284700000000, 0.0009446100000000, -0.0014261600000000 ] - [ -0.0027247600000000, 0.0002826700000000, -0.0023183500000000 ] - [ 0.0034484900000000, 0.0022868800000000, -0.0082333100000000 ] - [ 0.0034749000000000, 0.0016594700000000, -0.0083509400000000 ] - [ 0.0034966800000000, -0.0032343100000000, -0.0096987200000000 ] - [ 0.0046033900000000, -0.0029693100000000, -0.0081419700000000 ] - [ -0.0008882500000000, -0.0038959600000000, -0.0002209000000000 ] - [ -0.0010922300000000, -0.0040449400000000, -0.0002426800000000 ] - [ -0.0006605200000000, 0.0050740500000000, 0.0007666000000000 ] - [ -0.0009902200000000, 0.0031688800000000, -0.0001934300000000 ] - [ 0.0015627200000000, -0.0024625200000000, 0.0006597800000000 ] - [ 0.0057253800000000, 0.0292410500000000, 0.0038252700000000 ] - [ 0.0011984500000000, 0.0014837700000000, 0.0012244000000000 ] - [ 0.0011865800000000, 0.0013659200000000, 0.0012280500000000 ] - [ 0.0004196300000000, -0.0046615700000000, 0.0002507400000000 ] - [ 0.0005322100000000, -0.0038092100000000, -0.0003087500000000 ] - [ 0.0008008000000000, 0.0045436800000000, -0.0001733800000000 ] - [ -0.0009231100000000, 0.0035991500000000, 0.0007420200000000 ] - [ 0.0043443700000000, 0.0018852900000000, -0.0075809500000000 ] - [ 0.0028228100000000, 0.0027153800000000, -0.0091935300000000 ] - [ 0.0032761400000000, -0.0015413500000000, -0.0081844000000000 ] - [ 0.0035361100000000, -0.0024979900000000, -0.0084681300000000 ] - [ -0.0018509400000000, -0.0045949000000000, 0.0001577600000000 ] - [ -0.0002581300000000, -0.0033394800000000, -0.0013181800000000 ] - [ -0.0010754500000000, 0.0038601900000000, 0.0000328000000000 ] - [ -0.0011187300000000, 0.0036734000000000, -0.0000523000000000 ] - [ -0.0010023700000000, 0.0000103800000000, 0.0009743000000000 ] - [ 0.0011138500000000, -0.0019125800000000, 0.0011523800000000 ] - [ 0.0011161500000000, 0.0017951200000000, 0.0014631100000000 ] - [ 0.0010200300000000, 0.0011927500000000, 0.0013587400000000 ] - [ 0.0040985100000000, 0.0006395500000000, -0.0086388000000000 ] - [ 0.0006460800000000, -0.0059773500000000, 0.0005042300000000 ] - [ 0.0001724300000000, 0.0048128800000000, 0.0002343200000000 ] - [ 0.0005062900000000, 0.0039077300000000, 0.0001086400000000 ]- atom: 13 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0025458500000000, 0.0021230900000000, 0.0024366700000000 ] - [ -0.0023284800000000, 0.0023017500000000, 0.0018883000000000 ] - [ -0.0028649900000000, 0.0002534500000000, 0.0014268900000000 ] - [ -0.0025195200000000, -0.0026663800000000, 0.0021432200000000 ] - [ -0.0015174900000000, -0.0037990800000000, 0.0007838200000000 ] - [ -0.0023227000000000, -0.0074370400000000, 0.0057018700000000 ] - [ -0.0015619100000000, 0.0031497900000000, 0.0012894700000000 ] - [ -0.0016932700000000, 0.0032021600000000, 0.0011498700000000 ] - [ -0.0139430800000000, 0.0193739900000000, -0.0229789100000000 ] - [ -0.0140223500000000, 0.0186129900000000, -0.0231094900000000 ] - [ -0.0139341600000000, -0.0196996900000000, -0.0232574500000000 ] - [ -0.0088006600000000, -0.0190003300000000, -0.0228819700000000 ] - [ 0.0035541400000000, 0.0621787700000000, -0.0137842100000000 ] - [ -0.0044847800000000, 0.0037467600000000, 0.0013367000000000 ] - [ -0.0044347600000000, -0.0043554800000000, 0.0015154200000000 ] - [ -0.0043986200000000, -0.0045533100000000, 0.0012530500000000 ] - [ 0.0082754400000000, 0.0197823100000000, 0.0275986700000000 ] - [ 0.0188558800000000, 0.0208175400000000, 0.0285269000000000 ] - [ 0.0188054700000000, -0.0212395200000000, 0.0285363700000000 ] - [ 0.0189183900000000, -0.0216401300000000, 0.0288145400000000 ] - [ 0.0020211200000000, 0.0042053700000000, -0.0003602200000000 ] - [ 0.0023062700000000, 0.0033199000000000, -0.0005348000000000 ] - [ 0.0022786500000000, -0.0038117100000000, -0.0006913900000000 ] - [ 0.0024659100000000, -0.0035626000000000, -0.0002948200000000 ] - [ -0.0017052600000000, 0.0031457400000000, 0.0034877400000000 ] - [ -0.0025614300000000, 0.0015296600000000, 0.0019606700000000 ] - [ -0.0026513300000000, -0.0021885600000000, 0.0020864400000000 ] - [ -0.0026409500000000, -0.0022463900000000, 0.0021912800000000 ] - [ -0.0020464800000000, -0.0028314100000000, 0.0011680500000000 ] - [ -0.0017057200000000, -0.0034326000000000, 0.0012700300000000 ] - [ -0.0015721600000000, 0.0035316800000000, 0.0017217200000000 ] - [ -0.0016581700000000, 0.0024181600000000, 0.0013778700000000 ] - [ -0.0139754800000000, 0.0190557100000000, -0.0228849200000000 ] - [ -0.0141223400000000, 0.0186061800000000, -0.0234558100000000 ] - [ -0.0123264700000000, -0.0190012500000000, -0.0230595500000000 ] - [ -0.0139615700000000, -0.0194234800000000, -0.0231600900000000 ] - [ -0.0054451400000000, 0.0040516600000000, 0.0011503800000000 ] - [ -0.0042560200000000, 0.0040481300000000, 0.0014094000000000 ] - [ -0.0043995300000000, -0.0044805800000000, 0.0013645800000000 ] - [ -0.0045131700000000, -0.0041109100000000, 0.0015431500000000 ] - [ 0.0185583500000000, 0.0210533300000000, 0.0284249900000000 ] - [ 0.0155571400000000, 0.0206124500000000, 0.0284638700000000 ] - [ 0.0186510600000000, -0.0209643100000000, 0.0285723700000000 ] - [ 0.0188724900000000, -0.0217169000000000, 0.0286866900000000 ] - [ 0.0025915000000000, 0.0001232100000000, 0.0016171500000000 ] - [ 0.0021409400000000, -0.0004918300000000, -0.0028642600000000 ] - [ 0.0020838200000000, -0.0032295400000000, -0.0002205600000000 ] - [ 0.0022729800000000, -0.0042483400000000, -0.0003470100000000 ] - [ 0.0032270300000000, -0.0124654900000000, 0.0006872700000000 ] - [ -0.0028293000000000, 0.0001115600000000, -0.0022219500000000 ] - [ -0.0026424000000000, 0.0008845500000000, -0.0027184100000000 ] - [ -0.0028755400000000, 0.0004620900000000, -0.0022513100000000 ] - [ -0.0017720800000000, -0.0012518800000000, -0.0021728300000000 ] - [ -0.0027916500000000, -0.0003139100000000, -0.0027229600000000 ] - [ -0.0024263400000000, 0.0006237000000000, -0.0031770300000000 ] - [ -0.0026263800000000, 0.0012853000000000, -0.0022838100000000 ] - [ 0.0036865000000000, 0.0017803500000000, -0.0086139800000000 ] - [ 0.0036645500000000, 0.0024104800000000, -0.0084959400000000 ] - [ 0.0036482500000000, -0.0008368200000000, -0.0071490000000000 ] - [ 0.0025380700000000, -0.0010995800000000, -0.0087067500000000 ] - [ -0.0011728800000000, -0.0037707200000000, 0.0001734000000000 ] - [ -0.0009678100000000, -0.0036199400000000, 0.0001976200000000 ] - [ -0.0013910400000000, 0.0025934600000000, -0.0008096600000000 ] - [ -0.0010682000000000, 0.0045006700000000, 0.0001478000000000 ] - [ 0.0006471600000000, -0.0004681700000000, 0.0017324600000000 ] - [ -0.0030286000000000, -0.0306918100000000, -0.0013470800000000 ] - [ 0.0010168300000000, 0.0014496500000000, 0.0011641200000000 ] - [ 0.0010297200000000, 0.0015714400000000, 0.0011613100000000 ] - [ 0.0005678700000000, -0.0038311300000000, -0.0000945600000000 ] - [ 0.0004583100000000, -0.0046835100000000, 0.0004680000000000 ] - [ 0.0001856600000000, 0.0039481300000000, 0.0003290200000000 ] - [ 0.0019024400000000, 0.0048952500000000, -0.0005871700000000 ] - [ 0.0027878900000000, 0.0021809700000000, -0.0092721000000000 ] - [ 0.0043125300000000, 0.0013565200000000, -0.0076533700000000 ] - [ 0.0038500900000000, -0.0025336400000000, -0.0086637500000000 ] - [ 0.0036012200000000, -0.0015694700000000, -0.0083816300000000 ] - [ -0.0002005700000000, -0.0030719200000000, -0.0002037400000000 ] - [ -0.0018019600000000, -0.0043248600000000, 0.0012718200000000 ] - [ -0.0009842600000000, 0.0038047300000000, -0.0000811400000000 ] - [ -0.0009404500000000, 0.0039944800000000, 0.0000028900000000 ] - [ 0.0032201100000000, -0.0029466800000000, 0.0014166700000000 ] - [ 0.0011025300000000, -0.0010191600000000, 0.0012373500000000 ] - [ 0.0011006500000000, 0.0011413800000000, 0.0009297600000000 ] - [ 0.0011951300000000, 0.0017426000000000, 0.0010301200000000 ] - [ -0.0031504500000000, -0.0091039400000000, 0.0090237200000000 ] - [ 0.0003419600000000, -0.0025174300000000, -0.0003434900000000 ] - [ 0.0008074000000000, 0.0036855100000000, -0.0000806100000000 ] - [ 0.0004822900000000, 0.0045848300000000, 0.0000462800000000 ]- atom: 13 displacement: [ -0.0034429113111456, 0.0000000000000000, 0.0093886293836526 ] forces: - [ -0.0026068500000000, 0.0021977100000000, 0.0022717400000000 ] - [ -0.0027258300000000, 0.0023162500000000, 0.0022832500000000 ] - [ 0.0049896400000000, -0.0020174100000000, 0.0065444200000000 ] - [ -0.0023839100000000, -0.0023764400000000, 0.0020673500000000 ] - [ -0.0016548500000000, -0.0029278700000000, 0.0011724700000000 ] - [ -0.0015855800000000, -0.0067151700000000, 0.0040465600000000 ] - [ -0.0015781100000000, 0.0031645200000000, 0.0013042900000000 ] - [ -0.0015645700000000, 0.0031891500000000, 0.0012383100000000 ] - [ -0.0143021800000000, 0.0191313200000000, -0.0223885000000000 ] - [ -0.0140143000000000, 0.0189018100000000, -0.0230129500000000 ] - [ -0.0139257400000000, -0.0192583800000000, -0.0233122700000000 ] - [ -0.0153712900000000, -0.0174866200000000, -0.0255713500000000 ] - [ 0.0175489000000000, 0.0216646900000000, -0.0425350600000000 ] - [ -0.0044459700000000, 0.0043146800000000, 0.0010843900000000 ] - [ -0.0033532700000000, -0.0041652500000000, 0.0026644800000000 ] - [ -0.0043490400000000, -0.0044227600000000, 0.0013752600000000 ] - [ 0.0140487100000000, 0.0191545400000000, 0.0255620200000000 ] - [ 0.0188320900000000, 0.0212145300000000, 0.0283423900000000 ] - [ 0.0186086900000000, -0.0213262100000000, 0.0286972600000000 ] - [ 0.0188497400000000, -0.0214827900000000, 0.0288273800000000 ] - [ 0.0021325900000000, 0.0037820000000000, -0.0004986800000000 ] - [ 0.0023099700000000, 0.0035785900000000, -0.0005066200000000 ] - [ 0.0024007500000000, -0.0035472100000000, -0.0006003600000000 ] - [ 0.0026041400000000, -0.0038470800000000, -0.0004799100000000 ] - [ 0.0017408800000000, 0.0025257600000000, 0.0065449400000000 ] - [ -0.0022805200000000, 0.0021740300000000, 0.0022077200000000 ] - [ -0.0026236600000000, -0.0021420400000000, 0.0020364300000000 ] - [ -0.0026927100000000, -0.0023335800000000, 0.0021565700000000 ] - [ -0.0014514500000000, -0.0030459800000000, 0.0009931200000000 ] - [ -0.0016488600000000, -0.0032605900000000, 0.0012238400000000 ] - [ -0.0038644600000000, 0.0034542700000000, 0.0050351900000000 ] - [ -0.0018723000000000, 0.0031037100000000, 0.0014658200000000 ] - [ -0.0138815900000000, 0.0190211400000000, -0.0228586200000000 ] - [ -0.0139394600000000, 0.0189065200000000, -0.0229491200000000 ] - [ -0.0148880600000000, -0.0183087900000000, -0.0238006300000000 ] - [ -0.0140940200000000, -0.0190949200000000, -0.0232590100000000 ] - [ -0.0049697000000000, 0.0043239600000000, 0.0011894500000000 ] - [ -0.0049106200000000, 0.0041587000000000, 0.0012106600000000 ] - [ -0.0044484200000000, -0.0043183000000000, 0.0014595600000000 ] - [ -0.0045913200000000, -0.0041074000000000, 0.0017882900000000 ] - [ 0.0186734600000000, 0.0212198400000000, 0.0284045300000000 ] - [ 0.0170920800000000, 0.0206721000000000, 0.0279430600000000 ] - [ 0.0188093000000000, -0.0213690400000000, 0.0288451600000000 ] - [ 0.0188379500000000, -0.0214191400000000, 0.0286593700000000 ] - [ 0.0023647600000000, 0.0024653200000000, 0.0008621700000000 ] - [ 0.0021181200000000, 0.0052966600000000, 0.0004034600000000 ] - [ 0.0011647900000000, -0.0036184000000000, 0.0014755800000000 ] - [ 0.0021164100000000, -0.0038901300000000, -0.0003017200000000 ] - [ -0.0167903100000000, -0.0025818900000000, 0.0031717000000000 ] - [ -0.0027912500000000, -0.0004972700000000, -0.0019569000000000 ] - [ -0.0025964000000000, 0.0007595800000000, -0.0026080800000000 ] - [ -0.0025021800000000, 0.0007642400000000, -0.0026481500000000 ] - [ -0.0024430500000000, -0.0008862100000000, -0.0020915100000000 ] - [ -0.0023782100000000, -0.0001290600000000, -0.0023691500000000 ] - [ -0.0030552100000000, 0.0010189000000000, -0.0036076100000000 ] - [ -0.0027825300000000, 0.0008585700000000, -0.0024890600000000 ] - [ 0.0047956300000000, 0.0022051700000000, -0.0086782700000000 ] - [ 0.0037347000000000, 0.0021363300000000, -0.0086035000000000 ] - [ 0.0028701900000000, -0.0022643200000000, -0.0073694300000000 ] - [ 0.0022831200000000, -0.0021066700000000, -0.0076689200000000 ] - [ -0.0012319100000000, -0.0034919000000000, 0.0003078600000000 ] - [ -0.0010833900000000, -0.0037531600000000, 0.0001204100000000 ] - [ -0.0007334700000000, 0.0044297700000000, -0.0026953800000000 ] - [ -0.0010745500000000, 0.0038437200000000, -0.0001583700000000 ] - [ 0.0010173100000000, -0.0013474200000000, 0.0017077800000000 ] - [ 0.0021257800000000, -0.0007821100000000, 0.0012722100000000 ] - [ 0.0010989500000000, 0.0011610600000000, 0.0009417700000000 ] - [ 0.0010417500000000, 0.0015052200000000, 0.0010177400000000 ] - [ 0.0005523800000000, -0.0041291600000000, 0.0000436900000000 ] - [ 0.0006794700000000, -0.0043281000000000, 0.0002590800000000 ] - [ 0.0006594000000000, 0.0036150700000000, -0.0001737600000000 ] - [ 0.0016210400000000, 0.0045659100000000, -0.0006675300000000 ] - [ 0.0031780200000000, 0.0019952400000000, -0.0088843300000000 ] - [ 0.0033890000000000, 0.0018888600000000, -0.0087487800000000 ] - [ 0.0038528400000000, -0.0022759900000000, -0.0081277500000000 ] - [ 0.0036038700000000, -0.0019290600000000, -0.0083056100000000 ] - [ -0.0006206100000000, -0.0036144000000000, -0.0000181700000000 ] - [ -0.0003763800000000, -0.0049333800000000, -0.0001557900000000 ] - [ -0.0011122200000000, 0.0037484700000000, -0.0001561800000000 ] - [ -0.0010977400000000, 0.0040075900000000, -0.0001421900000000 ] - [ 0.0020269200000000, -0.0019573600000000, 0.0013234400000000 ] - [ 0.0011352200000000, -0.0013735400000000, 0.0012591100000000 ] - [ 0.0006690500000000, 0.0014167600000000, -0.0003934800000000 ] - [ 0.0011773600000000, 0.0015145800000000, 0.0009391300000000 ] - [ -0.0078007000000000, -0.0174622600000000, 0.0271090600000000 ] - [ 0.0005690600000000, -0.0045996700000000, 0.0002858800000000 ] - [ -0.0012469200000000, 0.0053076100000000, -0.0003630700000000 ] - [ 0.0004117000000000, 0.0042499800000000, 0.0000103900000000 ]- atom: 13 displacement: [ 0.0034429113111456, 0.0000000000000000, -0.0093886293836526 ] forces: - [ -0.0024201300000000, 0.0022163500000000, 0.0019295800000000 ] - [ -0.0023008400000000, 0.0020975000000000, 0.0019170300000000 ] - [ -0.0100723700000000, -0.0024168700000000, -0.0023696200000000 ] - [ -0.0026448200000000, -0.0020377800000000, 0.0021357100000000 ] - [ -0.0016627600000000, -0.0034320900000000, 0.0013124700000000 ] - [ -0.0017397100000000, 0.0003823300000000, -0.0015604200000000 ] - [ -0.0017392900000000, 0.0031933300000000, 0.0011812400000000 ] - [ -0.0017525100000000, 0.0031676000000000, 0.0012464500000000 ] - [ -0.0136976700000000, 0.0187774700000000, -0.0239046600000000 ] - [ -0.0139819200000000, 0.0190039500000000, -0.0232822100000000 ] - [ -0.0140707400000000, -0.0186470100000000, -0.0229807700000000 ] - [ -0.0126061900000000, -0.0204193500000000, -0.0207381300000000 ] - [ -0.0265767700000000, -0.0119687100000000, 0.0438830400000000 ] - [ -0.0043866100000000, 0.0044548700000000, 0.0014901800000000 ] - [ -0.0054818900000000, -0.0046031300000000, -0.0001014000000000 ] - [ -0.0044849200000000, -0.0043461600000000, 0.0011985200000000 ] - [ 0.0235483300000000, 0.0234952800000000, 0.0314117600000000 ] - [ 0.0187711900000000, 0.0214517300000000, 0.0286396700000000 ] - [ 0.0189920600000000, -0.0213419000000000, 0.0282846600000000 ] - [ 0.0187535600000000, -0.0211839900000000, 0.0281524900000000 ] - [ 0.0025056400000000, 0.0035446000000000, -0.0004991000000000 ] - [ 0.0023273400000000, 0.0037475200000000, -0.0004909000000000 ] - [ 0.0022358900000000, -0.0037798700000000, -0.0003973300000000 ] - [ 0.0020324000000000, -0.0034796500000000, -0.0005177600000000 ] - [ -0.0067313200000000, 0.0019015200000000, -0.0023596300000000 ] - [ -0.0027464000000000, 0.0022407700000000, 0.0019955300000000 ] - [ -0.0024021600000000, -0.0022754700000000, 0.0021629600000000 ] - [ -0.0023334200000000, -0.0020799800000000, 0.0020456100000000 ] - [ -0.0018650800000000, -0.0033111100000000, 0.0014918200000000 ] - [ -0.0016671000000000, -0.0030972500000000, 0.0012609500000000 ] - [ 0.0005063100000000, 0.0029105800000000, -0.0024960600000000 ] - [ -0.0014437800000000, 0.0032538600000000, 0.0010188700000000 ] - [ -0.0141134600000000, 0.0188851800000000, -0.0234405900000000 ] - [ -0.0140570400000000, 0.0189990400000000, -0.0233463100000000 ] - [ -0.0131140500000000, -0.0196062500000000, -0.0224847300000000 ] - [ -0.0139014300000000, -0.0188115000000000, -0.0230343500000000 ] - [ -0.0038554000000000, 0.0044424600000000, 0.0013869900000000 ] - [ -0.0039140500000000, 0.0046110000000000, 0.0013650400000000 ] - [ -0.0043850000000000, -0.0044516000000000, 0.0011135300000000 ] - [ -0.0042431500000000, -0.0046574200000000, 0.0007852900000000 ] - [ 0.0189296900000000, 0.0214457600000000, 0.0285780200000000 ] - [ 0.0205079300000000, 0.0219967700000000, 0.0290375600000000 ] - [ 0.0187997100000000, -0.0212977500000000, 0.0281306700000000 ] - [ 0.0187659400000000, -0.0212477700000000, 0.0283213100000000 ] - [ 0.0022706100000000, 0.0048579500000000, -0.0018452900000000 ] - [ 0.0025189200000000, 0.0020278400000000, -0.0014058300000000 ] - [ 0.0034992000000000, -0.0037095200000000, -0.0025111200000000 ] - [ 0.0025222600000000, -0.0034356100000000, -0.0006964700000000 ] - [ 0.0118781900000000, 0.0009715900000000, -0.0077454100000000 ] - [ -0.0025580100000000, -0.0010626400000000, -0.0026466200000000 ] - [ -0.0027533600000000, 0.0008078400000000, -0.0019909800000000 ] - [ -0.0028466300000000, 0.0007989500000000, -0.0019492400000000 ] - [ -0.0029098600000000, -0.0006591800000000, -0.0025133700000000 ] - [ -0.0029755500000000, -0.0014372000000000, -0.0022317300000000 ] - [ -0.0023059300000000, 0.0005429800000000, -0.0009682100000000 ] - [ -0.0025669300000000, 0.0007079600000000, -0.0021118600000000 ] - [ 0.0023509100000000, 0.0018676200000000, -0.0081648100000000 ] - [ 0.0034025600000000, 0.0019325700000000, -0.0082432400000000 ] - [ 0.0042691800000000, -0.0018059400000000, -0.0094815900000000 ] - [ 0.0048596000000000, -0.0019573600000000, -0.0091851800000000 ] - [ -0.0008248500000000, -0.0041791500000000, -0.0003644700000000 ] - [ -0.0009756400000000, -0.0039137500000000, -0.0001685500000000 ] - [ -0.0013159100000000, 0.0032327200000000, 0.0026673700000000 ] - [ -0.0009840000000000, 0.0038225300000000, 0.0001113000000000 ] - [ 0.0012007000000000, -0.0015869600000000, 0.0006763800000000 ] - [ 0.0000838000000000, -0.0022835700000000, 0.0011199200000000 ] - [ 0.0011185300000000, 0.0017718400000000, 0.0014489100000000 ] - [ 0.0011743700000000, 0.0014299100000000, 0.0013725700000000 ] - [ 0.0004357600000000, -0.0043640300000000, 0.0001104100000000 ] - [ 0.0003069300000000, -0.0041651700000000, -0.0001035200000000 ] - [ 0.0003293400000000, 0.0048833700000000, 0.0003300700000000 ] - [ -0.0006357200000000, 0.0039267800000000, 0.0008238100000000 ] - [ 0.0039619900000000, 0.0020716400000000, -0.0079602600000000 ] - [ 0.0037494000000000, 0.0021834000000000, -0.0080955700000000 ] - [ 0.0032872000000000, -0.0017944400000000, -0.0087215500000000 ] - [ 0.0035338300000000, -0.0021399700000000, -0.0085432500000000 ] - [ -0.0014417100000000, -0.0040555600000000, -0.0000285600000000 ] - [ -0.0016800500000000, -0.0027382700000000, 0.0001170900000000 ] - [ -0.0009476900000000, 0.0039160400000000, 0.0001114000000000 ] - [ -0.0009616400000000, 0.0036578800000000, 0.0000950500000000 ] - [ 0.0001803200000000, -0.0009796700000000, 0.0010648400000000 ] - [ 0.0010798300000000, -0.0015618000000000, 0.0011302000000000 ] - [ 0.0015362000000000, 0.0015087000000000, 0.0027873600000000 ] - [ 0.0010370600000000, 0.0014209000000000, 0.0014517200000000 ] - [ 0.0085822300000000, 0.0082270600000000, -0.0257506700000000 ] - [ 0.0004188800000000, -0.0038913900000000, -0.0001308200000000 ] - [ 0.0022353500000000, 0.0031835700000000, 0.0005216600000000 ] - [ 0.0005762800000000, 0.0042427700000000, 0.0001451200000000 ]- atom: 17 displacement: [ 0.0099999983939046, 0.0000000000000000, 0.0000056676190151 ] forces: - [ -0.0024906700000000, 0.0029397000000000, 0.0004038800000000 ] - [ -0.0026687000000000, 0.0022061800000000, 0.0019205300000000 ] - [ -0.0042899200000000, 0.0000178400000000, -0.0005037600000000 ] - [ -0.0026781900000000, -0.0021343200000000, 0.0021269500000000 ] - [ 0.0003834100000000, -0.0047403700000000, -0.0002527200000000 ] - [ -0.0018749200000000, -0.0027735100000000, 0.0008459300000000 ] - [ -0.0012540100000000, 0.0032792200000000, 0.0011538600000000 ] - [ -0.0014677500000000, 0.0030309800000000, 0.0012160500000000 ] - [ -0.0140161200000000, 0.0190632000000000, -0.0234926300000000 ] - [ -0.0140406000000000, 0.0191291200000000, -0.0236173500000000 ] - [ -0.0157911000000000, -0.0180986400000000, -0.0226549200000000 ] - [ -0.0166162900000000, -0.0213720700000000, -0.0225285300000000 ] - [ 0.0053906700000000, 0.0149632900000000, -0.0002213800000000 ] - [ -0.0043694100000000, 0.0043284700000000, 0.0013367400000000 ] - [ -0.0045490400000000, -0.0045345900000000, 0.0012446700000000 ] - [ -0.0043755700000000, -0.0043139800000000, 0.0013412300000000 ] - [ -0.0595744300000000, -0.0006526500000000, 0.0488571500000000 ] - [ 0.0189131700000000, 0.0213983500000000, 0.0283878100000000 ] - [ 0.0187080200000000, -0.0214073900000000, 0.0282959200000000 ] - [ 0.0187407700000000, -0.0212444600000000, 0.0283883000000000 ] - [ 0.0056385000000000, 0.0020718100000000, -0.0021788000000000 ] - [ 0.0023214300000000, 0.0038948500000000, -0.0006244900000000 ] - [ 0.0028001700000000, -0.0032533100000000, 0.0007640500000000 ] - [ 0.0021054800000000, -0.0035956300000000, -0.0004549400000000 ] - [ -0.0019559100000000, 0.0022229000000000, 0.0024398100000000 ] - [ -0.0023382600000000, 0.0020625800000000, 0.0021215400000000 ] - [ -0.0018549900000000, -0.0022086100000000, 0.0024098800000000 ] - [ -0.0023701300000000, -0.0022734800000000, 0.0020736200000000 ] - [ 0.0015713900000000, -0.0039490700000000, 0.0023283200000000 ] - [ -0.0016288400000000, -0.0030541500000000, 0.0013179700000000 ] - [ -0.0022304800000000, 0.0038257300000000, 0.0023534300000000 ] - [ -0.0018037900000000, 0.0032567200000000, 0.0012085500000000 ] - [ -0.0139035600000000, 0.0189381800000000, -0.0226660900000000 ] - [ -0.0139480000000000, 0.0189914400000000, -0.0231132200000000 ] - [ -0.0134736700000000, -0.0192124100000000, -0.0232042200000000 ] - [ -0.0139249600000000, -0.0187241600000000, -0.0231564900000000 ] - [ 0.0020649400000000, 0.0075932500000000, 0.0018509800000000 ] - [ -0.0040393900000000, 0.0046287900000000, 0.0012881100000000 ] - [ -0.0044097600000000, -0.0043806600000000, 0.0010860500000000 ] - [ -0.0044537500000000, -0.0042672000000000, 0.0013249300000000 ] - [ 0.0202700600000000, 0.0216489100000000, 0.0285729900000000 ] - [ 0.0202772900000000, 0.0220663100000000, 0.0282153700000000 ] - [ 0.0188485900000000, -0.0214125100000000, 0.0287225900000000 ] - [ 0.0189417800000000, -0.0213615800000000, 0.0286584500000000 ] - [ 0.0041755200000000, 0.0017718200000000, 0.0011041200000000 ] - [ 0.0022583100000000, 0.0040789300000000, -0.0002836200000000 ] - [ 0.0028441900000000, -0.0037684500000000, -0.0004819200000000 ] - [ 0.0025027500000000, -0.0037841300000000, -0.0005275400000000 ] - [ 0.0200780100000000, 0.0253829500000000, -0.0186717500000000 ] - [ -0.0020099800000000, -0.0010278600000000, -0.0026174300000000 ] - [ -0.0023310000000000, 0.0008594700000000, -0.0016303200000000 ] - [ -0.0025684200000000, 0.0005958300000000, -0.0021992500000000 ] - [ -0.0053291500000000, 0.0003367800000000, -0.0031493100000000 ] - [ -0.0028657000000000, -0.0014599300000000, -0.0018320600000000 ] - [ -0.0025451700000000, 0.0008890700000000, -0.0028574800000000 ] - [ -0.0027769600000000, 0.0007791500000000, -0.0023947000000000 ] - [ 0.0043650500000000, 0.0022355900000000, -0.0075795800000000 ] - [ 0.0036682100000000, 0.0019746600000000, -0.0083158000000000 ] - [ 0.0063114400000000, -0.0050100500000000, -0.0136279800000000 ] - [ 0.0039222600000000, -0.0018442700000000, -0.0088350300000000 ] - [ -0.0021805800000000, -0.0041810500000000, -0.0000936100000000 ] - [ -0.0012169700000000, -0.0038628800000000, -0.0000693300000000 ] - [ -0.0014340100000000, 0.0037889600000000, 0.0005421700000000 ] - [ -0.0006916300000000, 0.0044704200000000, 0.0004122600000000 ] - [ 0.0002854000000000, -0.0007567500000000, 0.0010815300000000 ] - [ 0.0006175700000000, -0.0046584300000000, 0.0009564900000000 ] - [ 0.0013171700000000, 0.0017595100000000, 0.0011042200000000 ] - [ 0.0011835300000000, 0.0014235700000000, 0.0012364200000000 ] - [ 0.0003941100000000, -0.0047100500000000, 0.0010371500000000 ] - [ 0.0004044300000000, -0.0031717700000000, -0.0002052800000000 ] - [ -0.0001331000000000, 0.0040445800000000, 0.0003811200000000 ] - [ 0.0002886600000000, 0.0042041200000000, 0.0001025100000000 ] - [ 0.0028159000000000, 0.0018162600000000, -0.0091399700000000 ] - [ 0.0033925200000000, 0.0020236300000000, -0.0086369900000000 ] - [ 0.0019760000000000, -0.0015550500000000, -0.0077500000000000 ] - [ 0.0034513900000000, -0.0023494400000000, -0.0086131400000000 ] - [ -0.0002896000000000, -0.0040946600000000, 0.0002874400000000 ] - [ -0.0006198900000000, -0.0040112100000000, 0.0002519400000000 ] - [ -0.0012922900000000, 0.0033131200000000, -0.0008142900000000 ] - [ -0.0010363000000000, 0.0037568700000000, -0.0000920800000000 ] - [ 0.0323806900000000, -0.0126651400000000, 0.0072200700000000 ] - [ 0.0010600800000000, -0.0016191000000000, 0.0011433900000000 ] - [ 0.0007990800000000, 0.0014047100000000, 0.0010040500000000 ] - [ 0.0010784600000000, 0.0014350400000000, 0.0012377800000000 ] - [ 0.0000150600000000, -0.0042003900000000, -0.0021628500000000 ] - [ 0.0005828100000000, -0.0044765500000000, 0.0001225000000000 ] - [ 0.0020614400000000, 0.0043624800000000, -0.0003184600000000 ] - [ 0.0005072700000000, 0.0039065200000000, 0.0000884900000000 ]- atom: 17 displacement: [ -0.0099999983939046, 0.0000000000000000, -0.0000056676190151 ] forces: - [ -0.0025204300000000, 0.0014709100000000, 0.0038203100000000 ] - [ -0.0023591700000000, 0.0022065800000000, 0.0022826100000000 ] - [ -0.0007737600000000, -0.0044645500000000, 0.0047387300000000 ] - [ -0.0023503100000000, -0.0022810100000000, 0.0020768300000000 ] - [ -0.0036842000000000, -0.0016213800000000, 0.0027336500000000 ] - [ -0.0014461300000000, -0.0035833000000000, 0.0016356300000000 ] - [ -0.0020618900000000, 0.0030780900000000, 0.0013318700000000 ] - [ -0.0018481400000000, 0.0033271200000000, 0.0012701700000000 ] - [ -0.0139846400000000, 0.0188384100000000, -0.0227976900000000 ] - [ -0.0139569100000000, 0.0187699900000000, -0.0226665700000000 ] - [ -0.0121866900000000, -0.0197636200000000, -0.0236384100000000 ] - [ -0.0113809800000000, -0.0165551400000000, -0.0237610400000000 ] - [ -0.0140656300000000, -0.0060413900000000, 0.0027657400000000 ] - [ -0.0044654900000000, 0.0044390600000000, 0.0012369500000000 ] - [ -0.0042817600000000, -0.0042335700000000, 0.0013321200000000 ] - [ -0.0044576300000000, -0.0044543700000000, 0.0012342700000000 ] - [ 0.0989978700000000, 0.0421747500000000, 0.0084521700000000 ] - [ 0.0186829800000000, 0.0212603100000000, 0.0285921000000000 ] - [ 0.0188934200000000, -0.0212552000000000, 0.0286891600000000 ] - [ 0.0188629700000000, -0.0214240100000000, 0.0285923600000000 ] - [ -0.0010413700000000, 0.0052780600000000, 0.0012060300000000 ] - [ 0.0023165100000000, 0.0034308200000000, -0.0003738200000000 ] - [ 0.0018347200000000, -0.0040681400000000, -0.0017588200000000 ] - [ 0.0025337900000000, -0.0037336400000000, -0.0005401500000000 ] - [ -0.0030738600000000, 0.0021907000000000, 0.0017632100000000 ] - [ -0.0026883500000000, 0.0023505200000000, 0.0020814900000000 ] - [ -0.0031710000000000, -0.0022056300000000, 0.0017931100000000 ] - [ -0.0026566100000000, -0.0021399100000000, 0.0021285300000000 ] - [ -0.0049295200000000, -0.0023949500000000, 0.0001359300000000 ] - [ -0.0016860900000000, -0.0033033400000000, 0.0011673000000000 ] - [ -0.0010896000000000, 0.0025361400000000, 0.0001376800000000 ] - [ -0.0015124000000000, 0.0030997200000000, 0.0012751600000000 ] - [ -0.0140913200000000, 0.0189679100000000, -0.0236274800000000 ] - [ -0.0140477100000000, 0.0189143500000000, -0.0231798200000000 ] - [ -0.0145240000000000, -0.0186922900000000, -0.0230895800000000 ] - [ -0.0140708600000000, -0.0191815500000000, -0.0231376600000000 ] - [ -0.0109467500000000, 0.0011092600000000, 0.0007184000000000 ] - [ -0.0047896800000000, 0.0041415700000000, 0.0012861100000000 ] - [ -0.0044222100000000, -0.0043881100000000, 0.0014896600000000 ] - [ -0.0043807300000000, -0.0045017300000000, 0.0012489700000000 ] - [ 0.0173299200000000, 0.0210156600000000, 0.0284101700000000 ] - [ 0.0173366400000000, 0.0206049400000000, 0.0287657400000000 ] - [ 0.0187564300000000, -0.0212546800000000, 0.0282591700000000 ] - [ 0.0186634100000000, -0.0213070300000000, 0.0283245700000000 ] - [ 0.0004818900000000, 0.0055284200000000, -0.0020843900000000 ] - [ 0.0023779600000000, 0.0032506400000000, -0.0007138000000000 ] - [ 0.0017892800000000, -0.0035588300000000, -0.0005160300000000 ] - [ 0.0021350000000000, -0.0035432600000000, -0.0004688600000000 ] - [ -0.0255096100000000, -0.0264926400000000, 0.0138385500000000 ] - [ -0.0033301600000000, -0.0005339200000000, -0.0019900900000000 ] - [ -0.0030275000000000, 0.0007002000000000, -0.0029824500000000 ] - [ -0.0027783200000000, 0.0009746300000000, -0.0023993800000000 ] - [ -0.0000269700000000, -0.0018998600000000, -0.0014546900000000 ] - [ -0.0024870800000000, -0.0001042300000000, -0.0027672600000000 ] - [ -0.0028078300000000, 0.0006772800000000, -0.0017441600000000 ] - [ -0.0025740200000000, 0.0007879400000000, -0.0022067400000000 ] - [ 0.0027775200000000, 0.0018278800000000, -0.0092720200000000 ] - [ 0.0034696900000000, 0.0020968700000000, -0.0085302400000000 ] - [ 0.0007327500000000, 0.0009629900000000, -0.0031750600000000 ] - [ 0.0032196100000000, -0.0022191700000000, -0.0080180200000000 ] - [ 0.0001212600000000, -0.0034843000000000, 0.0000483200000000 ] - [ -0.0008427200000000, -0.0038045000000000, 0.0000220900000000 ] - [ -0.0006085000000000, 0.0038841800000000, -0.0005895700000000 ] - [ -0.0013668700000000, 0.0031964900000000, -0.0004628100000000 ] - [ 0.0019305500000000, -0.0021772800000000, 0.0013084500000000 ] - [ 0.0015999100000000, 0.0017032800000000, 0.0014331400000000 ] - [ 0.0009002100000000, 0.0011752000000000, 0.0012824600000000 ] - [ 0.0010320700000000, 0.0015125200000000, 0.0011516400000000 ] - [ 0.0005973900000000, -0.0037818900000000, -0.0008787200000000 ] - [ 0.0005795400000000, -0.0053243500000000, 0.0003611300000000 ] - [ 0.0011210600000000, 0.0044464900000000, -0.0002262700000000 ] - [ 0.0006996900000000, 0.0042889300000000, 0.0000527900000000 ] - [ 0.0043196800000000, 0.0022503100000000, -0.0077095000000000 ] - [ 0.0037450300000000, 0.0020450700000000, -0.0082109600000000 ] - [ 0.0051615300000000, -0.0025123100000000, -0.0090989300000000 ] - [ 0.0036858500000000, -0.0017203200000000, -0.0082339400000000 ] - [ -0.0017776500000000, -0.0035720000000000, -0.0003269000000000 ] - [ -0.0014348000000000, -0.0036577000000000, -0.0002920200000000 ] - [ -0.0007686500000000, 0.0043543800000000, 0.0007671100000000 ] - [ -0.0010247900000000, 0.0039090700000000, 0.0000442900000000 ] - [ -0.0318886800000000, 0.0103242900000000, -0.0050664900000000 ] - [ 0.0011516500000000, -0.0013183300000000, 0.0012464300000000 ] - [ 0.0014157100000000, 0.0015294700000000, 0.0013843900000000 ] - [ 0.0011361600000000, 0.0015016000000000, 0.0011519100000000 ] - [ 0.0010071300000000, -0.0042779700000000, 0.0023494300000000 ] - [ 0.0004061100000000, -0.0040173900000000, 0.0000351500000000 ] - [ -0.0010833900000000, 0.0041321800000000, 0.0004710700000000 ] - [ 0.0004804600000000, 0.0045836000000000, 0.0000660900000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0018729700000000, 0.0024157900000000, -0.0006092800000000 ] - [ -0.0026570700000000, 0.0025211400000000, 0.0024003800000000 ] - [ -0.0006340400000000, -0.0020693100000000, -0.0017303400000000 ] - [ -0.0025402300000000, -0.0015528200000000, 0.0022683100000000 ] - [ -0.0027077500000000, -0.0021727200000000, 0.0027039200000000 ] - [ -0.0012923400000000, -0.0028871400000000, 0.0009485700000000 ] - [ -0.0016475900000000, 0.0028195500000000, 0.0013213500000000 ] - [ -0.0017192500000000, 0.0034763300000000, 0.0012645800000000 ] - [ -0.0138562800000000, 0.0193012600000000, -0.0233633100000000 ] - [ -0.0139559300000000, 0.0193983600000000, -0.0235783800000000 ] - [ -0.0151764200000000, -0.0089587600000000, -0.0228589300000000 ] - [ -0.0123008600000000, -0.0066231300000000, -0.0261833200000000 ] - [ 0.0000773800000000, 0.0059332900000000, 0.0006108000000000 ] - [ -0.0045724200000000, 0.0049001600000000, 0.0011026500000000 ] - [ -0.0045664100000000, -0.0047526000000000, 0.0012702700000000 ] - [ -0.0044391900000000, -0.0040013800000000, 0.0013700800000000 ] - [ -0.0033971100000000, -0.0876818300000000, 0.0549904400000000 ] - [ 0.0188737000000000, 0.0250416100000000, 0.0282845300000000 ] - [ 0.0188771500000000, -0.0220299300000000, 0.0283416200000000 ] - [ 0.0187120500000000, -0.0209168900000000, 0.0285639900000000 ] - [ 0.0005888300000000, 0.0035524200000000, 0.0004992800000000 ] - [ 0.0024177000000000, 0.0041219800000000, -0.0005293100000000 ] - [ 0.0021013100000000, -0.0031605900000000, 0.0010869000000000 ] - [ 0.0020720300000000, -0.0031736100000000, -0.0011083700000000 ] - [ -0.0025765200000000, 0.0019887100000000, 0.0022775700000000 ] - [ -0.0025548500000000, 0.0025129700000000, 0.0020867200000000 ] - [ -0.0023929100000000, -0.0025578900000000, 0.0023326300000000 ] - [ -0.0024911800000000, -0.0019510300000000, 0.0020136100000000 ] - [ -0.0030101400000000, -0.0036182700000000, 0.0005796000000000 ] - [ -0.0015406100000000, -0.0027760400000000, 0.0013041800000000 ] - [ -0.0013986200000000, 0.0034309800000000, 0.0029655300000000 ] - [ -0.0017563300000000, 0.0034487300000000, 0.0010765300000000 ] - [ -0.0139674000000000, 0.0184058400000000, -0.0231234700000000 ] - [ -0.0140029200000000, 0.0193505500000000, -0.0231692500000000 ] - [ -0.0137959900000000, -0.0197490600000000, -0.0232381800000000 ] - [ -0.0141251000000000, -0.0184220100000000, -0.0231346700000000 ] - [ -0.0005516600000000, 0.0051204200000000, 0.0019946200000000 ] - [ -0.0045439300000000, 0.0046618600000000, 0.0011200000000000 ] - [ -0.0045243300000000, -0.0044768800000000, 0.0012395200000000 ] - [ -0.0044032500000000, -0.0040779500000000, 0.0014512700000000 ] - [ 0.0195325900000000, 0.0216842600000000, 0.0285277400000000 ] - [ 0.0191173900000000, 0.0216820700000000, 0.0283246600000000 ] - [ 0.0188812800000000, -0.0213600400000000, 0.0285061500000000 ] - [ 0.0188297300000000, -0.0211469100000000, 0.0285145700000000 ] - [ 0.0011091800000000, 0.0035863600000000, -0.0014198200000000 ] - [ 0.0026407700000000, 0.0041383600000000, -0.0001818500000000 ] - [ 0.0024144100000000, -0.0039959600000000, -0.0003927700000000 ] - [ 0.0021554400000000, -0.0031529900000000, -0.0005170200000000 ] - [ 0.0238312400000000, 0.0661604300000000, -0.0353517000000000 ] - [ -0.0004487400000000, -0.0037990600000000, -0.0031973300000000 ] - [ -0.0023048200000000, 0.0014354500000000, -0.0012664400000000 ] - [ -0.0027383600000000, 0.0003199300000000, -0.0027222800000000 ] - [ -0.0044136600000000, 0.0006896100000000, -0.0027394300000000 ] - [ -0.0023184200000000, -0.0013077900000000, -0.0019989700000000 ] - [ -0.0024077800000000, 0.0012709100000000, -0.0026067200000000 ] - [ -0.0027743900000000, 0.0003557100000000, -0.0022321900000000 ] - [ 0.0037217000000000, 0.0029077500000000, -0.0087415600000000 ] - [ 0.0035531100000000, 0.0014224800000000, -0.0083975500000000 ] - [ 0.0014985600000000, 0.0076647200000000, 0.0060299300000000 ] - [ 0.0027858200000000, -0.0050586600000000, -0.0064672600000000 ] - [ -0.0007720600000000, -0.0030277300000000, 0.0001482600000000 ] - [ -0.0010967400000000, -0.0042399700000000, -0.0000681800000000 ] - [ -0.0016735900000000, 0.0033954600000000, 0.0000768300000000 ] - [ -0.0010232300000000, 0.0031491700000000, -0.0002471100000000 ] - [ 0.0014343400000000, -0.0015779000000000, 0.0015161300000000 ] - [ 0.0007436600000000, -0.0024344400000000, 0.0009947500000000 ] - [ 0.0013332700000000, 0.0023113700000000, 0.0008183000000000 ] - [ 0.0010337600000000, 0.0010053500000000, 0.0013481700000000 ] - [ 0.0001694500000000, -0.0046665500000000, 0.0005250800000000 ] - [ 0.0006889400000000, -0.0044844000000000, -0.0000311500000000 ] - [ 0.0008450700000000, 0.0052723000000000, -0.0001970500000000 ] - [ 0.0002777400000000, 0.0036276800000000, 0.0001693500000000 ] - [ 0.0037707400000000, 0.0021133300000000, -0.0079769800000000 ] - [ 0.0034656600000000, 0.0019320100000000, -0.0086107100000000 ] - [ 0.0036021300000000, -0.0018392600000000, -0.0085207200000000 ] - [ 0.0036106000000000, -0.0024278100000000, -0.0084451100000000 ] - [ -0.0006856700000000, -0.0041251300000000, 0.0010929800000000 ] - [ -0.0015691800000000, -0.0044610200000000, -0.0019503000000000 ] - [ -0.0014843100000000, 0.0047862600000000, -0.0001394300000000 ] - [ -0.0008481400000000, 0.0033310100000000, -0.0000560300000000 ] - [ -0.0090025700000000, 0.0036701300000000, -0.0007017800000000 ] - [ 0.0008565100000000, -0.0024036100000000, 0.0011757200000000 ] - [ 0.0008546300000000, 0.0013076800000000, 0.0007416100000000 ] - [ 0.0011415300000000, 0.0013669800000000, 0.0012247100000000 ] - [ 0.0010158600000000, -0.0026805200000000, -0.0001968100000000 ] - [ 0.0005797800000000, -0.0049094500000000, 0.0002504400000000 ] - [ 0.0010363700000000, 0.0041570700000000, 0.0006358900000000 ] - [ 0.0002818400000000, 0.0035633000000000, -0.0000897100000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0031586800000000, 0.0020030300000000, 0.0048389300000000 ] - [ -0.0023721800000000, 0.0018911500000000, 0.0018055400000000 ] - [ -0.0043920500000000, -0.0023739300000000, 0.0059152200000000 ] - [ -0.0024858700000000, -0.0028625100000000, 0.0019304300000000 ] - [ -0.0005963900000000, -0.0041866300000000, -0.0002289600000000 ] - [ -0.0020235300000000, -0.0034743100000000, 0.0015347600000000 ] - [ -0.0016668900000000, 0.0035394600000000, 0.0011632700000000 ] - [ -0.0015957900000000, 0.0028792700000000, 0.0012197200000000 ] - [ -0.0141423900000000, 0.0185994400000000, -0.0229286300000000 ] - [ -0.0140411100000000, 0.0185036200000000, -0.0227107500000000 ] - [ -0.0128370500000000, -0.0290587100000000, -0.0234389700000000 ] - [ -0.0156901900000000, -0.0310548200000000, -0.0201676100000000 ] - [ -0.0088765000000000, 0.0028267600000000, 0.0019507700000000 ] - [ -0.0042564500000000, 0.0038697100000000, 0.0014712500000000 ] - [ -0.0042651900000000, -0.0040159900000000, 0.0013051200000000 ] - [ -0.0043943200000000, -0.0047674200000000, 0.0012040900000000 ] - [ 0.0394875900000000, 0.1283228500000000, 0.0041675700000000 ] - [ 0.0187353100000000, 0.0176255800000000, 0.0287068900000000 ] - [ 0.0187247700000000, -0.0206321500000000, 0.0286435100000000 ] - [ 0.0188916600000000, -0.0217513400000000, 0.0284178300000000 ] - [ 0.0040567200000000, 0.0037630800000000, -0.0014977200000000 ] - [ 0.0022187200000000, 0.0032063700000000, -0.0004687200000000 ] - [ 0.0025377300000000, -0.0041640600000000, -0.0020907900000000 ] - [ 0.0025650000000000, -0.0041556200000000, 0.0001070300000000 ] - [ -0.0024491800000000, 0.0024254600000000, 0.0019243000000000 ] - [ -0.0024719700000000, 0.0019007900000000, 0.0021164300000000 ] - [ -0.0026331300000000, -0.0018554800000000, 0.0018694200000000 ] - [ -0.0025362000000000, -0.0024650800000000, 0.0021893000000000 ] - [ -0.0002986300000000, -0.0027437000000000, 0.0018998100000000 ] - [ -0.0017766200000000, -0.0035809800000000, 0.0011799400000000 ] - [ -0.0019110500000000, 0.0029259600000000, -0.0004702400000000 ] - [ -0.0015588100000000, 0.0029076100000000, 0.0014103100000000 ] - [ -0.0140273900000000, 0.0195011800000000, -0.0231686500000000 ] - [ -0.0139931500000000, 0.0185546800000000, -0.0231244000000000 ] - [ -0.0141988200000000, -0.0181552700000000, -0.0230555700000000 ] - [ -0.0138725100000000, -0.0194849000000000, -0.0231594500000000 ] - [ -0.0082713100000000, 0.0036849600000000, 0.0005744600000000 ] - [ -0.0042914900000000, 0.0041041000000000, 0.0014533600000000 ] - [ -0.0043076700000000, -0.0042913300000000, 0.0013358200000000 ] - [ -0.0044304400000000, -0.0046913500000000, 0.0011232500000000 ] - [ 0.0180712500000000, 0.0209810500000000, 0.0284543700000000 ] - [ 0.0184838100000000, 0.0209789700000000, 0.0286583400000000 ] - [ 0.0187235100000000, -0.0213079200000000, 0.0284757400000000 ] - [ 0.0187752100000000, -0.0215200800000000, 0.0284672800000000 ] - [ 0.0035396700000000, 0.0037458100000000, 0.0004316200000000 ] - [ 0.0019995800000000, 0.0031872700000000, -0.0008145800000000 ] - [ 0.0022233700000000, -0.0033311400000000, -0.0006019900000000 ] - [ 0.0024829500000000, -0.0041743700000000, -0.0004794900000000 ] - [ -0.0278063300000000, -0.0654701600000000, 0.0292022500000000 ] - [ -0.0049152700000000, 0.0022348600000000, -0.0013929000000000 ] - [ -0.0030537500000000, 0.0001284600000000, -0.0033395200000000 ] - [ -0.0026100000000000, 0.0012523900000000, -0.0018801300000000 ] - [ -0.0009466800000000, -0.0022531200000000, -0.0018643200000000 ] - [ -0.0030292100000000, -0.0002467000000000, -0.0026029500000000 ] - [ -0.0029455100000000, 0.0002955700000000, -0.0019931000000000 ] - [ -0.0025755300000000, 0.0012111500000000, -0.0023693700000000 ] - [ 0.0034189900000000, 0.0011584800000000, -0.0080999900000000 ] - [ 0.0035857000000000, 0.0026476600000000, -0.0084495400000000 ] - [ 0.0057694900000000, -0.0119793100000000, -0.0234515500000000 ] - [ 0.0043414000000000, 0.0009803100000000, -0.0103611200000000 ] - [ -0.0012911500000000, -0.0046434200000000, -0.0001954900000000 ] - [ -0.0009626500000000, -0.0034265000000000, 0.0000203500000000 ] - [ -0.0003765900000000, 0.0042755400000000, -0.0001264300000000 ] - [ -0.0010364900000000, 0.0045151000000000, 0.0001977900000000 ] - [ 0.0007778400000000, -0.0013581000000000, 0.0008745400000000 ] - [ 0.0014697000000000, -0.0004940000000000, 0.0013960600000000 ] - [ 0.0008840600000000, 0.0006228500000000, 0.0015694100000000 ] - [ 0.0011812300000000, 0.0019301900000000, 0.0010424500000000 ] - [ 0.0008203800000000, -0.0038272400000000, -0.0003640200000000 ] - [ 0.0003010100000000, -0.0040001800000000, 0.0001850200000000 ] - [ 0.0001414600000000, 0.0032166000000000, 0.0003512600000000 ] - [ 0.0007097900000000, 0.0048652100000000, -0.0000140100000000 ] - [ 0.0033645400000000, 0.0019550200000000, -0.0088740300000000 ] - [ 0.0036712100000000, 0.0021385000000000, -0.0082376600000000 ] - [ 0.0035312400000000, -0.0022298500000000, -0.0083260500000000 ] - [ 0.0035268500000000, -0.0016428600000000, -0.0084029000000000 ] - [ -0.0013739000000000, -0.0035400800000000, -0.0011411200000000 ] - [ -0.0004932300000000, -0.0032065700000000, 0.0018885700000000 ] - [ -0.0005777000000000, 0.0028773700000000, 0.0000890200000000 ] - [ -0.0012102600000000, 0.0043350200000000, 0.0000081800000000 ] - [ 0.0111763700000000, -0.0066799600000000, 0.0030754700000000 ] - [ 0.0013657800000000, -0.0005314800000000, 0.0012142300000000 ] - [ 0.0013599400000000, 0.0016267300000000, 0.0016449300000000 ] - [ 0.0010726100000000, 0.0015681500000000, 0.0011640200000000 ] - [ -0.0000214700000000, -0.0058177300000000, 0.0003553300000000 ] - [ 0.0004058400000000, -0.0035835500000000, -0.0000967900000000 ] - [ -0.0000506400000000, 0.0043415900000000, -0.0004814700000000 ] - [ 0.0007070100000000, 0.0049250300000000, 0.0002463600000000 ]- atom: 17 displacement: [ -0.0034429113111456, 0.0000000000000000, 0.0093886293836526 ] forces: - [ -0.0035028200000000, 0.0008680000000000, 0.0044633000000000 ] - [ -0.0025705400000000, 0.0021300700000000, 0.0024772200000000 ] - [ -0.0063398900000000, -0.0111819900000000, 0.0108060100000000 ] - [ -0.0024779900000000, -0.0022081600000000, 0.0019756200000000 ] - [ -0.0027324700000000, -0.0014986900000000, 0.0025043000000000 ] - [ -0.0017839000000000, -0.0035111500000000, 0.0010649700000000 ] - [ -0.0017635000000000, 0.0030843900000000, 0.0016473400000000 ] - [ -0.0017793700000000, 0.0033691300000000, 0.0013711500000000 ] - [ -0.0146083400000000, 0.0182738900000000, -0.0219563700000000 ] - [ -0.0140671400000000, 0.0188197900000000, -0.0225849000000000 ] - [ -0.0128395100000000, -0.0184447100000000, -0.0246756200000000 ] - [ -0.0130097000000000, -0.0164469400000000, -0.0260940400000000 ] - [ -0.0064389500000000, 0.0016237500000000, -0.0006296900000000 ] - [ -0.0044673800000000, 0.0043691100000000, 0.0011089900000000 ] - [ -0.0039018800000000, -0.0042573700000000, 0.0018317700000000 ] - [ -0.0043947400000000, -0.0042248200000000, 0.0014511000000000 ] - [ 0.0647579000000000, 0.0523267600000000, -0.0413314100000000 ] - [ 0.0186630300000000, 0.0211092100000000, 0.0286657100000000 ] - [ 0.0186489500000000, -0.0211659000000000, 0.0288089500000000 ] - [ 0.0187267300000000, -0.0214323300000000, 0.0285584100000000 ] - [ -0.0008233600000000, 0.0054729200000000, 0.0018211600000000 ] - [ 0.0023285100000000, 0.0035424500000000, -0.0004286100000000 ] - [ 0.0022226900000000, -0.0022486200000000, 0.0005925000000000 ] - [ 0.0025552900000000, -0.0040045200000000, -0.0005748400000000 ] - [ -0.0026470300000000, 0.0022590700000000, 0.0022610700000000 ] - [ -0.0024951500000000, 0.0021498600000000, 0.0021751000000000 ] - [ -0.0028450800000000, -0.0021263000000000, 0.0017582700000000 ] - [ -0.0025349600000000, -0.0022352700000000, 0.0020603900000000 ] - [ -0.0010157100000000, -0.0034704400000000, 0.0017779900000000 ] - [ -0.0015880000000000, -0.0031880200000000, 0.0011182900000000 ] - [ -0.0012917800000000, 0.0044414400000000, 0.0036132400000000 ] - [ -0.0016396300000000, 0.0031611800000000, 0.0012814400000000 ] - [ -0.0138061800000000, 0.0189684600000000, -0.0229933000000000 ] - [ -0.0140002600000000, 0.0189539000000000, -0.0230646000000000 ] - [ -0.0142583500000000, -0.0188141000000000, -0.0233271100000000 ] - [ -0.0140498500000000, -0.0190152500000000, -0.0232180800000000 ] - [ -0.0073717100000000, 0.0033003600000000, 0.0002761300000000 ] - [ -0.0045997700000000, 0.0043622300000000, 0.0011800400000000 ] - [ -0.0044795300000000, -0.0043431900000000, 0.0015404600000000 ] - [ -0.0045866400000000, -0.0041164600000000, 0.0015463700000000 ] - [ 0.0180368400000000, 0.0210671400000000, 0.0283783400000000 ] - [ 0.0183723900000000, 0.0211162400000000, 0.0285008600000000 ] - [ 0.0190047800000000, -0.0213200800000000, 0.0286509500000000 ] - [ 0.0189107200000000, -0.0213467700000000, 0.0286348800000000 ] - [ 0.0029615900000000, 0.0031562300000000, -0.0003234200000000 ] - [ 0.0023799000000000, 0.0036444100000000, -0.0005962300000000 ] - [ 0.0019823700000000, -0.0036646900000000, -0.0003053800000000 ] - [ 0.0021590600000000, -0.0034789200000000, -0.0004350700000000 ] - [ -0.0258060300000000, -0.0416436000000000, 0.0314001700000000 ] - [ -0.0030828100000000, -0.0006394500000000, -0.0020242100000000 ] - [ -0.0027359700000000, 0.0004112000000000, -0.0029700300000000 ] - [ -0.0020917300000000, 0.0014022100000000, -0.0023565100000000 ] - [ -0.0011105400000000, -0.0013915700000000, -0.0015850000000000 ] - [ -0.0025588200000000, -0.0005603900000000, -0.0022509800000000 ] - [ -0.0033125900000000, 0.0008932700000000, -0.0024469200000000 ] - [ -0.0027671400000000, 0.0007675000000000, -0.0024726700000000 ] - [ 0.0036266100000000, 0.0019562800000000, -0.0098689500000000 ] - [ 0.0035568000000000, 0.0020375400000000, -0.0085491800000000 ] - [ -0.0018435300000000, 0.0127783700000000, 0.0168223500000000 ] - [ 0.0031995500000000, -0.0024056000000000, -0.0077789100000000 ] - [ -0.0001322500000000, -0.0032691300000000, 0.0000305500000000 ] - [ -0.0010017100000000, -0.0038312900000000, 0.0000174200000000 ] - [ 0.0014984000000000, 0.0051213000000000, -0.0003795700000000 ] - [ -0.0012585200000000, 0.0032792000000000, -0.0004239000000000 ] - [ 0.0013558500000000, -0.0016301200000000, 0.0019054900000000 ] - [ 0.0012279800000000, -0.0007470600000000, 0.0013430100000000 ] - [ 0.0012257200000000, 0.0014718800000000, 0.0005310500000000 ] - [ 0.0010760600000000, 0.0014727500000000, 0.0010110100000000 ] - [ 0.0006395300000000, -0.0039091000000000, -0.0003526100000000 ] - [ 0.0004479200000000, -0.0053383300000000, 0.0002139500000000 ] - [ 0.0009837000000000, 0.0043513700000000, -0.0001525500000000 ] - [ 0.0006054600000000, 0.0042152200000000, -0.0001284600000000 ] - [ 0.0035214200000000, 0.0020342400000000, -0.0087794700000000 ] - [ 0.0036388000000000, 0.0020084800000000, -0.0084508300000000 ] - [ 0.0035345500000000, -0.0021667200000000, -0.0081845800000000 ] - [ 0.0035926500000000, -0.0018706200000000, -0.0081971200000000 ] - [ -0.0008879200000000, -0.0034290800000000, -0.0001929200000000 ] - [ -0.0011272900000000, -0.0046434700000000, 0.0000571400000000 ] - [ -0.0015167600000000, 0.0039401100000000, 0.0000021000000000 ] - [ -0.0011778500000000, 0.0038890100000000, -0.0000260700000000 ] - [ -0.0034940700000000, 0.0005720900000000, 0.0003159400000000 ] - [ 0.0011250900000000, -0.0014498600000000, 0.0012518600000000 ] - [ 0.0008362500000000, 0.0012654200000000, 0.0002345300000000 ] - [ 0.0010851100000000, 0.0015003700000000, 0.0011054900000000 ] - [ -0.0012135900000000, -0.0046851000000000, 0.0001065100000000 ] - [ 0.0005072900000000, -0.0042112000000000, 0.0000769900000000 ] - [ -0.0016369300000000, 0.0049758100000000, -0.0004541900000000 ] - [ 0.0004716900000000, 0.0036527700000000, 0.0002364000000000 ]- atom: 17 displacement: [ 0.0034429113111456, 0.0000000000000000, -0.0093886293836526 ] forces: - [ -0.0015429700000000, 0.0035132000000000, -0.0002383900000000 ] - [ -0.0024562600000000, 0.0022873400000000, 0.0017210200000000 ] - [ 0.0013588900000000, 0.0069060100000000, -0.0067912300000000 ] - [ -0.0025496500000000, -0.0022066300000000, 0.0022276100000000 ] - [ -0.0005652300000000, -0.0048781200000000, -0.0000325400000000 ] - [ -0.0015321300000000, -0.0028442100000000, 0.0014242700000000 ] - [ -0.0015524300000000, 0.0032709500000000, 0.0008376300000000 ] - [ -0.0015378300000000, 0.0029904000000000, 0.0011138500000000 ] - [ -0.0133856900000000, 0.0196380500000000, -0.0243442900000000 ] - [ -0.0139311000000000, 0.0190814700000000, -0.0237058900000000 ] - [ -0.0151560000000000, -0.0194056100000000, -0.0216247000000000 ] - [ -0.0149947100000000, -0.0215115500000000, -0.0201874600000000 ] - [ -0.0023845400000000, 0.0071641000000000, 0.0032233400000000 ] - [ -0.0043695300000000, 0.0043990700000000, 0.0014645300000000 ] - [ -0.0049344400000000, -0.0045136100000000, 0.0007423000000000 ] - [ -0.0044386800000000, -0.0045432700000000, 0.0011234700000000 ] - [ -0.0278459500000000, -0.0101272400000000, 0.0995819600000000 ] - [ 0.0189341600000000, 0.0215534900000000, 0.0283172200000000 ] - [ 0.0189545400000000, -0.0215018800000000, 0.0281750100000000 ] - [ 0.0188762200000000, -0.0212333700000000, 0.0284221400000000 ] - [ 0.0054372600000000, 0.0018715600000000, -0.0027958400000000 ] - [ 0.0023106400000000, 0.0037848300000000, -0.0005703100000000 ] - [ 0.0024121000000000, -0.0050944600000000, -0.0015994000000000 ] - [ 0.0020806700000000, -0.0033191100000000, -0.0004199000000000 ] - [ -0.0023840000000000, 0.0021545700000000, 0.0019405500000000 ] - [ -0.0025327300000000, 0.0022643400000000, 0.0020275200000000 ] - [ -0.0021824000000000, -0.0022881300000000, 0.0024438300000000 ] - [ -0.0024915500000000, -0.0021798100000000, 0.0021434600000000 ] - [ -0.0022853800000000, -0.0028924600000000, 0.0007192200000000 ] - [ -0.0017268700000000, -0.0031689400000000, 0.0013677000000000 ] - [ -0.0020142100000000, 0.0019360000000000, -0.0010917900000000 ] - [ -0.0016773400000000, 0.0031946500000000, 0.0012018500000000 ] - [ -0.0141892500000000, 0.0189353000000000, -0.0232982200000000 ] - [ -0.0139959600000000, 0.0189530300000000, -0.0232297600000000 ] - [ -0.0137386600000000, -0.0190920300000000, -0.0229667400000000 ] - [ -0.0139457100000000, -0.0188905100000000, -0.0230753600000000 ] - [ -0.0014521000000000, 0.0054716900000000, 0.0022889700000000 ] - [ -0.0042310700000000, 0.0044070300000000, 0.0013948000000000 ] - [ -0.0043532500000000, -0.0044267700000000, 0.0010337000000000 ] - [ -0.0042476200000000, -0.0046460900000000, 0.0010311100000000 ] - [ 0.0195657600000000, 0.0215985000000000, 0.0286039900000000 ] - [ 0.0192317700000000, 0.0215503500000000, 0.0284809800000000 ] - [ 0.0186014500000000, -0.0213459000000000, 0.0283320600000000 ] - [ 0.0186931900000000, -0.0213212000000000, 0.0283464300000000 ] - [ 0.0016763000000000, 0.0041691300000000, -0.0006771000000000 ] - [ 0.0022559000000000, 0.0036828900000000, -0.0004034400000000 ] - [ 0.0026591300000000, -0.0036632200000000, -0.0006863700000000 ] - [ 0.0024785800000000, -0.0038475800000000, -0.0005613300000000 ] - [ 0.0209116100000000, 0.0412145400000000, -0.0362629500000000 ] - [ -0.0022511100000000, -0.0009293300000000, -0.0025955900000000 ] - [ -0.0026170600000000, 0.0011572200000000, -0.0016209300000000 ] - [ -0.0032587500000000, 0.0001568600000000, -0.0022427400000000 ] - [ -0.0042401100000000, -0.0001688000000000, -0.0030185000000000 ] - [ -0.0027937800000000, -0.0009996600000000, -0.0023528200000000 ] - [ -0.0020347900000000, 0.0006740900000000, -0.0021545600000000 ] - [ -0.0025834700000000, 0.0007983100000000, -0.0021270700000000 ] - [ 0.0035123800000000, 0.0021194200000000, -0.0069821200000000 ] - [ 0.0035811100000000, 0.0020302300000000, -0.0082960000000000 ] - [ 0.0091428500000000, -0.0176311500000000, -0.0345059900000000 ] - [ 0.0039430900000000, -0.0016582400000000, -0.0090833000000000 ] - [ -0.0019238500000000, -0.0043936100000000, -0.0000753400000000 ] - [ -0.0010584700000000, -0.0038374600000000, -0.0000641000000000 ] - [ -0.0035731800000000, 0.0025371000000000, 0.0003265700000000 ] - [ -0.0007974500000000, 0.0043864600000000, 0.0003746600000000 ] - [ 0.0008600300000000, -0.0013041500000000, 0.0004873200000000 ] - [ 0.0009889300000000, -0.0021878500000000, 0.0010471900000000 ] - [ 0.0009917500000000, 0.0014674400000000, 0.0018556300000000 ] - [ 0.0011401000000000, 0.0014613900000000, 0.0013783400000000 ] - [ 0.0003469500000000, -0.0045819100000000, 0.0005091100000000 ] - [ 0.0005391000000000, -0.0031614200000000, -0.0000537000000000 ] - [ 0.0000048500000000, 0.0041431300000000, 0.0003055900000000 ] - [ 0.0003817300000000, 0.0042764700000000, 0.0002814800000000 ] - [ 0.0036165300000000, 0.0020354300000000, -0.0080690800000000 ] - [ 0.0034994700000000, 0.0020589900000000, -0.0083950300000000 ] - [ 0.0035981800000000, -0.0019032100000000, -0.0086629800000000 ] - [ 0.0035443900000000, -0.0021989000000000, -0.0086507200000000 ] - [ -0.0011681700000000, -0.0042240700000000, 0.0001421000000000 ] - [ -0.0009311100000000, -0.0030306600000000, -0.0000907800000000 ] - [ -0.0005452600000000, 0.0037253000000000, -0.0000520900000000 ] - [ -0.0008806300000000, 0.0037757100000000, -0.0000224300000000 ] - [ 0.0057353900000000, -0.0035206000000000, 0.0020202000000000 ] - [ 0.0010839300000000, -0.0014876200000000, 0.0011371500000000 ] - [ 0.0013742600000000, 0.0016676300000000, 0.0021456600000000 ] - [ 0.0011297700000000, 0.0014358200000000, 0.0012849900000000 ] - [ 0.0021923000000000, -0.0038080400000000, 0.0000482000000000 ] - [ 0.0004818600000000, -0.0042823400000000, 0.0000811000000000 ] - [ 0.0026413300000000, 0.0035130100000000, 0.0006068200000000 ] - [ 0.0005140200000000, 0.0048382000000000, -0.0000837200000000 ]- atom: 21 displacement: [ 0.0099999983939046, 0.0000000000000000, 0.0000056676190151 ] forces: - [ -0.0019363300000000, 0.0001526700000000, 0.0021777700000000 ] - [ -0.0011432700000000, 0.0041244400000000, 0.0031263200000000 ] - [ -0.0025462900000000, -0.0020982100000000, 0.0018007400000000 ] - [ -0.0025201500000000, -0.0021964300000000, 0.0020528100000000 ] - [ -0.0012445200000000, -0.0032578300000000, 0.0012486500000000 ] - [ -0.0011786600000000, -0.0030858600000000, 0.0014570200000000 ] - [ -0.0000875200000000, 0.0050742600000000, 0.0005750900000000 ] - [ -0.0009268100000000, 0.0016220300000000, 0.0003812800000000 ] - [ -0.0136447000000000, 0.0197557600000000, -0.0213191300000000 ] - [ -0.0140115800000000, 0.0188382200000000, -0.0229327200000000 ] - [ -0.0138827000000000, -0.0191464600000000, -0.0232416700000000 ] - [ -0.0130654700000000, -0.0181235100000000, -0.0239317300000000 ] - [ -0.0036831000000000, 0.0046806900000000, 0.0013562800000000 ] - [ -0.0042783900000000, 0.0043964500000000, 0.0013283400000000 ] - [ -0.0043431300000000, -0.0046193100000000, 0.0000765100000000 ] - [ -0.0044740000000000, -0.0044311800000000, 0.0010505100000000 ] - [ 0.0221573400000000, 0.0195912300000000, 0.0263775300000000 ] - [ 0.0188037600000000, 0.0214329300000000, 0.0285014100000000 ] - [ 0.0192865000000000, -0.0211112600000000, 0.0285664000000000 ] - [ 0.0185873900000000, -0.0210880400000000, 0.0286649700000000 ] - [ -0.0710424800000000, 0.0029864400000000, -0.0075404600000000 ] - [ 0.0019595600000000, 0.0036826600000000, -0.0005530000000000 ] - [ 0.0021562000000000, -0.0036833200000000, -0.0007298200000000 ] - [ 0.0021059000000000, -0.0036219100000000, -0.0006963300000000 ] - [ 0.0019016300000000, 0.0026317200000000, 0.0010415100000000 ] - [ -0.0022509500000000, 0.0022408800000000, 0.0021216900000000 ] - [ -0.0026874700000000, -0.0019861700000000, 0.0023982700000000 ] - [ -0.0026158700000000, -0.0024091200000000, 0.0023684500000000 ] - [ -0.0018449400000000, -0.0038102000000000, 0.0019135400000000 ] - [ -0.0017721700000000, -0.0031808900000000, 0.0012309100000000 ] - [ 0.0031014200000000, 0.0036226300000000, 0.0026144100000000 ] - [ -0.0013242700000000, 0.0031648300000000, 0.0012908600000000 ] - [ -0.0138536000000000, 0.0190123500000000, -0.0233798200000000 ] - [ -0.0139509600000000, 0.0189586900000000, -0.0232039200000000 ] - [ -0.0120261400000000, -0.0165745000000000, -0.0206749800000000 ] - [ -0.0141490700000000, -0.0192121900000000, -0.0230387600000000 ] - [ -0.0051027500000000, 0.0045653200000000, 0.0008229800000000 ] - [ -0.0049845200000000, 0.0041034400000000, 0.0011316200000000 ] - [ -0.0042373400000000, -0.0044241400000000, 0.0014410300000000 ] - [ -0.0042241100000000, -0.0042371500000000, 0.0016630500000000 ] - [ 0.0187427100000000, 0.0216539800000000, 0.0285349800000000 ] - [ 0.0206402000000000, 0.0201246200000000, 0.0298449800000000 ] - [ 0.0193313100000000, -0.0214287200000000, 0.0283255900000000 ] - [ 0.0189862900000000, -0.0211695100000000, 0.0283880000000000 ] - [ 0.0028614100000000, 0.0036406000000000, -0.0004171700000000 ] - [ 0.0028600700000000, 0.0037224000000000, -0.0004626500000000 ] - [ 0.0025911200000000, -0.0037738200000000, -0.0000334200000000 ] - [ 0.0024642200000000, -0.0036279100000000, -0.0003826900000000 ] - [ -0.0039528700000000, -0.0014334000000000, -0.0015929300000000 ] - [ -0.0030341900000000, -0.0007296700000000, -0.0022125400000000 ] - [ -0.0028813300000000, 0.0009945900000000, -0.0031128500000000 ] - [ -0.0030091100000000, 0.0003304600000000, -0.0031402400000000 ] - [ -0.0010973100000000, -0.0025166200000000, -0.0027679300000000 ] - [ -0.0016477300000000, 0.0001515400000000, -0.0027502600000000 ] - [ -0.0027971300000000, 0.0007332800000000, -0.0006947800000000 ] - [ -0.0026403900000000, 0.0006997500000000, -0.0021904800000000 ] - [ 0.0204067800000000, -0.0019915000000000, 0.0097624400000000 ] - [ 0.0037518500000000, 0.0016281100000000, -0.0084457200000000 ] - [ 0.0036637200000000, -0.0013069500000000, -0.0075038300000000 ] - [ 0.0035490200000000, -0.0025338600000000, -0.0079986400000000 ] - [ 0.0266389100000000, 0.0101004400000000, -0.0009174200000000 ] - [ -0.0008764500000000, -0.0035604200000000, -0.0002582200000000 ] - [ -0.0014324300000000, 0.0040144100000000, -0.0004685300000000 ] - [ -0.0010746400000000, 0.0038659300000000, -0.0001139600000000 ] - [ 0.0006654500000000, -0.0016844000000000, 0.0011419000000000 ] - [ 0.0000303300000000, -0.0014201600000000, 0.0011661700000000 ] - [ 0.0016791400000000, 0.0014565600000000, 0.0018436300000000 ] - [ 0.0016168500000000, 0.0014244600000000, 0.0016250100000000 ] - [ 0.0014794900000000, -0.0043603000000000, 0.0000386400000000 ] - [ 0.0027129700000000, -0.0085712800000000, 0.0002353200000000 ] - [ 0.0001536400000000, 0.0042167900000000, -0.0003290800000000 ] - [ 0.0002723900000000, 0.0041275000000000, -0.0001684500000000 ] - [ 0.0026665500000000, 0.0019989900000000, -0.0084073900000000 ] - [ 0.0031176000000000, 0.0022618700000000, -0.0083465900000000 ] - [ 0.0035034000000000, -0.0017097400000000, -0.0095157400000000 ] - [ 0.0035700900000000, -0.0021122000000000, -0.0086457900000000 ] - [ -0.0016015000000000, -0.0037008900000000, 0.0001202600000000 ] - [ -0.0019344900000000, -0.0046200700000000, 0.0002391000000000 ] - [ -0.0009016100000000, 0.0037862700000000, 0.0000264200000000 ] - [ -0.0008853400000000, 0.0038218000000000, -0.0000025500000000 ] - [ 0.0074830500000000, -0.0063992200000000, -0.0111405100000000 ] - [ 0.0013157400000000, -0.0014167700000000, 0.0012787300000000 ] - [ 0.0007096900000000, 0.0011944800000000, -0.0000107500000000 ] - [ 0.0008555400000000, 0.0014871900000000, 0.0010463600000000 ] - [ -0.0013613800000000, -0.0042743300000000, 0.0000879700000000 ] - [ 0.0002209600000000, -0.0042679500000000, 0.0000755100000000 ] - [ 0.0009418200000000, 0.0045801300000000, 0.0005107500000000 ] - [ 0.0006191800000000, 0.0042536100000000, 0.0002017300000000 ]- atom: 21 displacement: [ -0.0099999983939046, 0.0000000000000000, -0.0000056676190151 ] forces: - [ -0.0030906500000000, 0.0042486800000000, 0.0020248700000000 ] - [ -0.0038901200000000, 0.0002873000000000, 0.0010767000000000 ] - [ -0.0024817000000000, -0.0023161600000000, 0.0023992300000000 ] - [ -0.0025074800000000, -0.0022184500000000, 0.0021491900000000 ] - [ -0.0020707400000000, -0.0031013000000000, 0.0012339900000000 ] - [ -0.0021375600000000, -0.0032709300000000, 0.0010236200000000 ] - [ -0.0032350900000000, 0.0012788800000000, 0.0019032800000000 ] - [ -0.0023981000000000, 0.0047391500000000, 0.0021127700000000 ] - [ -0.0143620900000000, 0.0181394600000000, -0.0249846900000000 ] - [ -0.0139863200000000, 0.0190691500000000, -0.0233614100000000 ] - [ -0.0141138100000000, -0.0187610800000000, -0.0230526100000000 ] - [ -0.0149260600000000, -0.0197757800000000, -0.0223697000000000 ] - [ -0.0051491500000000, 0.0040883800000000, 0.0012157600000000 ] - [ -0.0045547500000000, 0.0043718700000000, 0.0012453700000000 ] - [ -0.0044914000000000, -0.0041502400000000, 0.0025058200000000 ] - [ -0.0043592300000000, -0.0043373400000000, 0.0015245100000000 ] - [ 0.0154771500000000, 0.0230581200000000, 0.0305932900000000 ] - [ 0.0187988900000000, 0.0212340300000000, 0.0284804600000000 ] - [ 0.0183195900000000, -0.0215459700000000, 0.0284121700000000 ] - [ 0.0190157500000000, -0.0215817200000000, 0.0283166400000000 ] - [ 0.0766489200000000, 0.0056090000000000, 0.0059364300000000 ] - [ 0.0026775300000000, 0.0036436900000000, -0.0004442800000000 ] - [ 0.0024818500000000, -0.0036436300000000, -0.0002690500000000 ] - [ 0.0025314600000000, -0.0037041200000000, -0.0003013900000000 ] - [ -0.0069882900000000, 0.0017871700000000, 0.0031751700000000 ] - [ -0.0027759800000000, 0.0021741100000000, 0.0020814100000000 ] - [ -0.0023381800000000, -0.0024283000000000, 0.0018045600000000 ] - [ -0.0024090400000000, -0.0020048400000000, 0.0018337700000000 ] - [ -0.0014741000000000, -0.0025454000000000, 0.0005916600000000 ] - [ -0.0015438100000000, -0.0031780900000000, 0.0012554100000000 ] - [ -0.0063543500000000, 0.0027436500000000, -0.0001191300000000 ] - [ -0.0019911000000000, 0.0031914800000000, 0.0011947900000000 ] - [ -0.0141412900000000, 0.0188906300000000, -0.0229110600000000 ] - [ -0.0140452700000000, 0.0189481400000000, -0.0230898600000000 ] - [ -0.0159954700000000, -0.0213551600000000, -0.0256449600000000 ] - [ -0.0138452100000000, -0.0186920400000000, -0.0232555400000000 ] - [ -0.0037301300000000, 0.0042060400000000, 0.0017519400000000 ] - [ -0.0038432400000000, 0.0046471000000000, 0.0014480700000000 ] - [ -0.0045970700000000, -0.0043440600000000, 0.0011334500000000 ] - [ -0.0046114000000000, -0.0045305400000000, 0.0009118500000000 ] - [ 0.0188621000000000, 0.0210125300000000, 0.0284467300000000 ] - [ 0.0169461500000000, 0.0225560700000000, 0.0271210000000000 ] - [ 0.0182760400000000, -0.0212376700000000, 0.0286592300000000 ] - [ 0.0186183600000000, -0.0214971700000000, 0.0285932400000000 ] - [ 0.0017779000000000, 0.0036839000000000, -0.0005801100000000 ] - [ 0.0017765600000000, 0.0036059600000000, -0.0005347300000000 ] - [ 0.0020468400000000, -0.0035532600000000, -0.0009631300000000 ] - [ 0.0021737100000000, -0.0036985200000000, -0.0006148500000000 ] - [ -0.0013977700000000, -0.0001275000000000, -0.0030038600000000 ] - [ -0.0023164000000000, -0.0008289500000000, -0.0023883600000000 ] - [ -0.0024647900000000, 0.0005675800000000, -0.0014942300000000 ] - [ -0.0023335000000000, 0.0012414600000000, -0.0014633100000000 ] - [ -0.0042589300000000, 0.0009582600000000, -0.0018340400000000 ] - [ -0.0037164700000000, -0.0017173700000000, -0.0018512700000000 ] - [ -0.0025564200000000, 0.0008371000000000, -0.0039149700000000 ] - [ -0.0027104000000000, 0.0008651200000000, -0.0024107400000000 ] - [ -0.0129163500000000, 0.0059011400000000, -0.0259193600000000 ] - [ 0.0033869700000000, 0.0024408200000000, -0.0084031000000000 ] - [ 0.0034763400000000, -0.0027600800000000, -0.0093397000000000 ] - [ 0.0035894000000000, -0.0015396900000000, -0.0088476000000000 ] - [ -0.0299418800000000, -0.0186116800000000, 0.0009123900000000 ] - [ -0.0011831900000000, -0.0041076100000000, 0.0002109900000000 ] - [ -0.0006248400000000, 0.0036504500000000, 0.0004266700000000 ] - [ -0.0009839700000000, 0.0038004000000000, 0.0000676000000000 ] - [ 0.0015492700000000, -0.0012499300000000, 0.0012477700000000 ] - [ 0.0021876700000000, -0.0015167600000000, 0.0012232000000000 ] - [ 0.0005345900000000, 0.0014835800000000, 0.0005477700000000 ] - [ 0.0005963600000000, 0.0015106700000000, 0.0007636200000000 ] - [ -0.0004877600000000, -0.0041324800000000, 0.0001150500000000 ] - [ -0.0016837300000000, -0.0000665500000000, -0.0000692500000000 ] - [ 0.0008345000000000, 0.0042758400000000, 0.0004865200000000 ] - [ 0.0007148400000000, 0.0043644300000000, 0.0003243100000000 ] - [ 0.0044658400000000, 0.0020695600000000, -0.0084397000000000 ] - [ 0.0040199000000000, 0.0018053500000000, -0.0085015100000000 ] - [ 0.0036317700000000, -0.0023577800000000, -0.0073273900000000 ] - [ 0.0035670200000000, -0.0019581200000000, -0.0082013800000000 ] - [ -0.0004582200000000, -0.0039663000000000, -0.0001677700000000 ] - [ -0.0001247300000000, -0.0030556400000000, -0.0002855500000000 ] - [ -0.0011577600000000, 0.0038755100000000, -0.0000772200000000 ] - [ -0.0011737400000000, 0.0038429600000000, -0.0000467000000000 ] - [ -0.0053563600000000, 0.0033794500000000, 0.0134051400000000 ] - [ 0.0009021700000000, -0.0015151900000000, 0.0011115100000000 ] - [ 0.0015080900000000, 0.0017374300000000, 0.0023911200000000 ] - [ 0.0013588400000000, 0.0014470100000000, 0.0013430000000000 ] - [ 0.0023478900000000, -0.0042103200000000, 0.0000756800000000 ] - [ 0.0007668500000000, -0.0042270300000000, 0.0000797800000000 ] - [ 0.0000487500000000, 0.0039135200000000, -0.0003585800000000 ] - [ 0.0003695100000000, 0.0042386400000000, -0.0000464100000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0041966400000000, 0.0049299200000000, 0.0016621500000000 ] - [ -0.0004609900000000, 0.0056110400000000, 0.0035639500000000 ] - [ -0.0026332400000000, -0.0026748600000000, 0.0023096000000000 ] - [ -0.0024255300000000, -0.0018876200000000, 0.0020953300000000 ] - [ -0.0016428400000000, -0.0029598200000000, 0.0012361700000000 ] - [ -0.0017278000000000, -0.0031553900000000, 0.0013819700000000 ] - [ 0.0010767900000000, 0.0064776200000000, -0.0009134300000000 ] - [ -0.0025008900000000, 0.0059029400000000, 0.0014605200000000 ] - [ -0.0134735600000000, 0.0195408500000000, -0.0206659300000000 ] - [ -0.0139662700000000, 0.0195376300000000, -0.0234769900000000 ] - [ -0.0140495900000000, -0.0184376800000000, -0.0229701800000000 ] - [ -0.0135309700000000, -0.0192877200000000, -0.0236132600000000 ] - [ -0.0046230000000000, 0.0038420100000000, 0.0013382100000000 ] - [ -0.0043398900000000, 0.0047271100000000, 0.0012249000000000 ] - [ -0.0044120000000000, -0.0048193100000000, 0.0012395300000000 ] - [ -0.0045333900000000, -0.0037995500000000, 0.0014864800000000 ] - [ 0.0171954200000000, 0.0212317600000000, 0.0298250400000000 ] - [ 0.0190339800000000, 0.0217909100000000, 0.0284469000000000 ] - [ 0.0183922000000000, -0.0208314900000000, 0.0268275000000000 ] - [ 0.0187320900000000, -0.0208436700000000, 0.0288310200000000 ] - [ 0.0013380100000000, -0.0811717100000000, -0.0101586200000000 ] - [ 0.0023380900000000, 0.0046161700000000, -0.0004448600000000 ] - [ 0.0023387400000000, -0.0035873200000000, -0.0005892600000000 ] - [ 0.0022774400000000, -0.0036937100000000, -0.0004690100000000 ] - [ -0.0026673000000000, 0.0023979700000000, 0.0022429400000000 ] - [ -0.0027149500000000, 0.0028980900000000, 0.0021981600000000 ] - [ -0.0022712700000000, -0.0022246300000000, 0.0025025000000000 ] - [ -0.0026980400000000, -0.0021259400000000, 0.0018287900000000 ] - [ -0.0023588400000000, -0.0033372400000000, 0.0008515600000000 ] - [ -0.0015945100000000, -0.0024737400000000, 0.0009526400000000 ] - [ -0.0007897400000000, 0.0025729300000000, 0.0010214900000000 ] - [ -0.0017648500000000, 0.0039003100000000, 0.0011940200000000 ] - [ -0.0139404700000000, 0.0185170400000000, -0.0231867000000000 ] - [ -0.0141327200000000, 0.0193782700000000, -0.0230759000000000 ] - [ -0.0123594800000000, -0.0187363100000000, -0.0218625500000000 ] - [ -0.0142557400000000, -0.0184380200000000, -0.0232049600000000 ] - [ -0.0031257000000000, 0.0085420000000000, 0.0034935100000000 ] - [ -0.0049527300000000, 0.0079199000000000, -0.0001956400000000 ] - [ -0.0045793900000000, -0.0042349300000000, 0.0011044500000000 ] - [ -0.0041260600000000, -0.0044868400000000, 0.0015882000000000 ] - [ 0.0192147000000000, 0.0218090800000000, 0.0286218500000000 ] - [ 0.0169171200000000, 0.0212541600000000, 0.0272581300000000 ] - [ 0.0189067000000000, -0.0216671800000000, 0.0285291500000000 ] - [ 0.0189217700000000, -0.0208237800000000, 0.0283390300000000 ] - [ 0.0023769800000000, 0.0037083400000000, -0.0005702400000000 ] - [ 0.0022968700000000, 0.0037067800000000, -0.0004781100000000 ] - [ 0.0024295100000000, -0.0041816300000000, -0.0003283800000000 ] - [ 0.0022833800000000, -0.0032726500000000, -0.0005533400000000 ] - [ -0.0026427800000000, 0.0008897100000000, -0.0025593400000000 ] - [ -0.0026752400000000, -0.0016248100000000, -0.0023120000000000 ] - [ -0.0026066300000000, 0.0003016600000000, -0.0008277000000000 ] - [ -0.0031489100000000, 0.0004743000000000, -0.0039595600000000 ] - [ -0.0047761000000000, -0.0012581600000000, -0.0031434600000000 ] - [ -0.0011284200000000, -0.0010031900000000, -0.0018370700000000 ] - [ -0.0027158300000000, 0.0013550400000000, -0.0022371500000000 ] - [ -0.0024936000000000, 0.0000523900000000, -0.0023565000000000 ] - [ -0.0006142800000000, 0.0054394500000000, -0.0133264300000000 ] - [ 0.0036188200000000, 0.0007893000000000, -0.0085986700000000 ] - [ 0.0035755000000000, -0.0021203100000000, -0.0087033900000000 ] - [ 0.0035734200000000, -0.0023103900000000, -0.0083776600000000 ] - [ 0.0135840800000000, 0.0060092500000000, -0.0003099200000000 ] - [ -0.0010604400000000, -0.0048543400000000, 0.0004330400000000 ] - [ -0.0012500400000000, 0.0045090000000000, -0.0006889300000000 ] - [ -0.0009812700000000, 0.0034239800000000, 0.0000643800000000 ] - [ 0.0008690700000000, -0.0018159600000000, 0.0012347800000000 ] - [ 0.0016709700000000, -0.0012070900000000, 0.0010487300000000 ] - [ 0.0010240200000000, 0.0019658400000000, 0.0022085300000000 ] - [ 0.0010515000000000, 0.0009971500000000, 0.0005507000000000 ] - [ 0.0005735000000000, -0.0059532700000000, 0.0003048100000000 ] - [ -0.0038359900000000, 0.0386124200000000, 0.0013228200000000 ] - [ 0.0005225900000000, 0.0046228300000000, 0.0000510100000000 ] - [ 0.0005041600000000, 0.0038242600000000, -0.0000100400000000 ] - [ 0.0021734900000000, 0.0018635100000000, -0.0081293500000000 ] - [ 0.0042051500000000, 0.0024017500000000, -0.0087212100000000 ] - [ 0.0035184100000000, -0.0009422800000000, -0.0084390700000000 ] - [ 0.0036804300000000, -0.0027439900000000, -0.0085245300000000 ] - [ -0.0002515600000000, -0.0045092900000000, -0.0003620500000000 ] - [ -0.0019655000000000, -0.0033808600000000, 0.0002211200000000 ] - [ -0.0009732700000000, 0.0041604400000000, -0.0002657100000000 ] - [ -0.0010748700000000, 0.0035772200000000, 0.0002065200000000 ] - [ -0.0038411200000000, 0.0065756800000000, 0.0143883100000000 ] - [ 0.0007545900000000, -0.0027553100000000, 0.0010219400000000 ] - [ 0.0009743500000000, 0.0017840700000000, 0.0010518200000000 ] - [ 0.0011025500000000, 0.0011175400000000, 0.0011974700000000 ] - [ 0.0003653400000000, -0.0037656400000000, 0.0003621300000000 ] - [ 0.0005006200000000, -0.0045971800000000, 0.0000461500000000 ] - [ 0.0006223200000000, 0.0046290900000000, 0.0000844000000000 ] - [ 0.0003495800000000, 0.0038060800000000, -0.0000072900000000 ]- atom: 21 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008113300000000, -0.0005379600000000, 0.0025454700000000 ] - [ -0.0045369200000000, -0.0011496700000000, 0.0006520400000000 ] - [ -0.0023952000000000, -0.0017424900000000, 0.0018942300000000 ] - [ -0.0026017200000000, -0.0025271800000000, 0.0021069400000000 ] - [ -0.0016740700000000, -0.0033970200000000, 0.0012491100000000 ] - [ -0.0015887000000000, -0.0032024300000000, 0.0011029300000000 ] - [ -0.0044108000000000, -0.0001534000000000, 0.0034251600000000 ] - [ -0.0008265900000000, 0.0004850800000000, 0.0010302200000000 ] - [ -0.0145211400000000, 0.0183598900000000, -0.0256171700000000 ] - [ -0.0140304800000000, 0.0183682800000000, -0.0228160700000000 ] - [ -0.0139470000000000, -0.0194673900000000, -0.0233248500000000 ] - [ -0.0144618600000000, -0.0186200200000000, -0.0226842800000000 ] - [ -0.0042101700000000, 0.0049235500000000, 0.0012367700000000 ] - [ -0.0044929100000000, 0.0040413600000000, 0.0013486900000000 ] - [ -0.0044216500000000, -0.0039509900000000, 0.0013331800000000 ] - [ -0.0043001000000000, -0.0049692300000000, 0.0010880900000000 ] - [ 0.0204030800000000, 0.0214430900000000, 0.0271653600000000 ] - [ 0.0185697600000000, 0.0208755700000000, 0.0285349600000000 ] - [ 0.0192051500000000, -0.0218343900000000, 0.0301564200000000 ] - [ 0.0188705400000000, -0.0218251500000000, 0.0281515600000000 ] - [ 0.0039333600000000, 0.0862065900000000, 0.0094331200000000 ] - [ 0.0022991800000000, 0.0027104500000000, -0.0005530700000000 ] - [ 0.0022988300000000, -0.0037383200000000, -0.0004071600000000 ] - [ 0.0023596100000000, -0.0036346300000000, -0.0005289800000000 ] - [ -0.0023463300000000, 0.0020122000000000, 0.0019529200000000 ] - [ -0.0023137100000000, 0.0015159000000000, 0.0020045300000000 ] - [ -0.0027576600000000, -0.0021881200000000, 0.0016994400000000 ] - [ -0.0023290500000000, -0.0022901400000000, 0.0023731500000000 ] - [ -0.0009558900000000, -0.0030176600000000, 0.0016461900000000 ] - [ -0.0017215200000000, -0.0038828300000000, 0.0015300600000000 ] - [ -0.0025331800000000, 0.0037820100000000, 0.0014553700000000 ] - [ -0.0015485800000000, 0.0024554500000000, 0.0012913400000000 ] - [ -0.0140569400000000, 0.0193903400000000, -0.0231070200000000 ] - [ -0.0138634200000000, 0.0185266300000000, -0.0232185200000000 ] - [ -0.0156396900000000, -0.0191610000000000, -0.0244329600000000 ] - [ -0.0137407800000000, -0.0194679800000000, -0.0230887100000000 ] - [ -0.0057208200000000, 0.0001833700000000, -0.0009397700000000 ] - [ -0.0038785900000000, 0.0008875400000000, 0.0027467700000000 ] - [ -0.0042548300000000, -0.0045325100000000, 0.0014714400000000 ] - [ -0.0047064900000000, -0.0042837500000000, 0.0009842300000000 ] - [ 0.0183865000000000, 0.0208584400000000, 0.0283592300000000 ] - [ 0.0206722600000000, 0.0214140300000000, 0.0297142500000000 ] - [ 0.0186971100000000, -0.0210018400000000, 0.0284505800000000 ] - [ 0.0186807500000000, -0.0218446500000000, 0.0286432000000000 ] - [ 0.0022605400000000, 0.0036191200000000, -0.0004276300000000 ] - [ 0.0023402200000000, 0.0036176200000000, -0.0005188500000000 ] - [ 0.0022091200000000, -0.0031464200000000, -0.0006688200000000 ] - [ 0.0023539200000000, -0.0040542200000000, -0.0004438400000000 ] - [ -0.0027056900000000, -0.0024392700000000, -0.0020444500000000 ] - [ -0.0026740600000000, 0.0000653800000000, -0.0022890800000000 ] - [ -0.0027403100000000, 0.0012585900000000, -0.0037815500000000 ] - [ -0.0022034500000000, 0.0010923800000000, -0.0006454300000000 ] - [ -0.0005611100000000, -0.0003113000000000, -0.0014564100000000 ] - [ -0.0042220200000000, -0.0005563600000000, -0.0027637800000000 ] - [ -0.0026310800000000, 0.0002085400000000, -0.0023575500000000 ] - [ -0.0028556200000000, 0.0015147300000000, -0.0022453000000000 ] - [ 0.0076925500000000, -0.0012558300000000, -0.0035852600000000 ] - [ 0.0035210900000000, 0.0032765600000000, -0.0082508000000000 ] - [ 0.0035618200000000, -0.0019540200000000, -0.0081480400000000 ] - [ 0.0035653600000000, -0.0017606800000000, -0.0084692500000000 ] - [ -0.0160260500000000, -0.0137004600000000, 0.0002530900000000 ] - [ -0.0010001700000000, -0.0028117500000000, -0.0004795700000000 ] - [ -0.0008093700000000, 0.0031600400000000, 0.0006384400000000 ] - [ -0.0010779500000000, 0.0042403700000000, -0.0001127300000000 ] - [ 0.0013464500000000, -0.0011218500000000, 0.0011555500000000 ] - [ 0.0005474400000000, -0.0017273600000000, 0.0013390800000000 ] - [ 0.0011887800000000, 0.0009652800000000, 0.0001796200000000 ] - [ 0.0011637600000000, 0.0019388700000000, 0.0018386900000000 ] - [ 0.0004137300000000, -0.0025371400000000, -0.0001504800000000 ] - [ 0.0045480500000000, -0.0449471600000000, -0.0011217700000000 ] - [ 0.0004662700000000, 0.0038686900000000, 0.0001038100000000 ] - [ 0.0004827700000000, 0.0046678400000000, 0.0001662400000000 ] - [ 0.0049701400000000, 0.0022021400000000, -0.0087180800000000 ] - [ 0.0029313500000000, 0.0016704700000000, -0.0081268200000000 ] - [ 0.0036176300000000, -0.0031239900000000, -0.0084053400000000 ] - [ 0.0034583900000000, -0.0013267400000000, -0.0083226100000000 ] - [ -0.0018110700000000, -0.0031593500000000, 0.0003182000000000 ] - [ -0.0000978400000000, -0.0042852100000000, -0.0002709100000000 ] - [ -0.0010853900000000, 0.0035006100000000, 0.0002173000000000 ] - [ -0.0009841500000000, 0.0040891200000000, -0.0002529300000000 ] - [ 0.0061428800000000, -0.0094671300000000, -0.0122447800000000 ] - [ 0.0014592700000000, -0.0001814300000000, 0.0013657000000000 ] - [ 0.0012394300000000, 0.0011521200000000, 0.0013415900000000 ] - [ 0.0011123300000000, 0.0018162400000000, 0.0011911700000000 ] - [ 0.0006218900000000, -0.0047309100000000, -0.0002081400000000 ] - [ 0.0004864300000000, -0.0038956700000000, 0.0001103000000000 ] - [ 0.0003684800000000, 0.0038651400000000, 0.0000702900000000 ] - [ 0.0006372400000000, 0.0046853500000000, 0.0001627500000000 ]- atom: 21 displacement: [ -0.0034429113111456, 0.0000000000000000, 0.0093886293836526 ] forces: - [ -0.0022934900000000, 0.0016768400000000, 0.0015250500000000 ] - [ -0.0021688900000000, 0.0024910600000000, 0.0015021600000000 ] - [ -0.0026967000000000, -0.0025218800000000, 0.0027735700000000 ] - [ -0.0025443600000000, -0.0021796900000000, 0.0022158900000000 ] - [ -0.0017768700000000, -0.0030725100000000, 0.0016901600000000 ] - [ -0.0016571300000000, -0.0031784300000000, 0.0018640200000000 ] - [ -0.0027166500000000, 0.0011750100000000, 0.0016142200000000 ] - [ -0.0031762300000000, 0.0050987800000000, 0.0017532700000000 ] - [ -0.0124463600000000, 0.0213620800000000, -0.0196441200000000 ] - [ -0.0139055600000000, 0.0187598200000000, -0.0231597000000000 ] - [ -0.0140143300000000, -0.0187632100000000, -0.0231704900000000 ] - [ -0.0148903200000000, -0.0198913500000000, -0.0226882700000000 ] - [ -0.0047949600000000, 0.0041519700000000, 0.0012174800000000 ] - [ -0.0044704100000000, 0.0044133400000000, 0.0012625200000000 ] - [ -0.0053863100000000, -0.0040407600000000, 0.0033654100000000 ] - [ -0.0044830000000000, -0.0042259400000000, 0.0015341500000000 ] - [ 0.0160762100000000, 0.0228564300000000, 0.0309355800000000 ] - [ 0.0186834200000000, 0.0212707900000000, 0.0285150000000000 ] - [ 0.0198208500000000, -0.0229098000000000, 0.0300037800000000 ] - [ 0.0189158600000000, -0.0208471000000000, 0.0283668000000000 ] - [ 0.0209730700000000, -0.0044977400000000, -0.0680764200000000 ] - [ 0.0023914100000000, 0.0037073200000000, -0.0008321100000000 ] - [ 0.0021584500000000, -0.0035714500000000, -0.0001236600000000 ] - [ 0.0022064100000000, -0.0037051300000000, -0.0000651700000000 ] - [ -0.0048455900000000, 0.0021361200000000, 0.0022225100000000 ] - [ -0.0027531700000000, 0.0022902500000000, 0.0020254900000000 ] - [ -0.0023309300000000, -0.0020859500000000, 0.0024224100000000 ] - [ -0.0023856900000000, -0.0022934100000000, 0.0023500800000000 ] - [ -0.0023184100000000, -0.0020049800000000, 0.0051154600000000 ] - [ -0.0017205400000000, -0.0032719600000000, 0.0015830500000000 ] - [ -0.0024468900000000, 0.0028532500000000, 0.0013850100000000 ] - [ -0.0015969000000000, 0.0031873700000000, 0.0011437800000000 ] - [ -0.0141603300000000, 0.0188801200000000, -0.0226060900000000 ] - [ -0.0141190300000000, 0.0190396900000000, -0.0229904500000000 ] - [ -0.0130947900000000, -0.0184523300000000, -0.0220377900000000 ] - [ -0.0138712000000000, -0.0191026200000000, -0.0232616800000000 ] - [ -0.0039986200000000, 0.0065532600000000, 0.0024108400000000 ] - [ -0.0043847900000000, 0.0025012500000000, 0.0026325800000000 ] - [ -0.0041549000000000, -0.0045516500000000, 0.0012509400000000 ] - [ -0.0040521300000000, -0.0042443000000000, 0.0013339400000000 ] - [ 0.0190259700000000, 0.0215205000000000, 0.0284533500000000 ] - [ 0.0196630600000000, 0.0208823000000000, 0.0287499300000000 ] - [ 0.0186354400000000, -0.0213987300000000, 0.0287426900000000 ] - [ 0.0187113800000000, -0.0213722000000000, 0.0285786100000000 ] - [ 0.0021663200000000, 0.0036897500000000, -0.0007169100000000 ] - [ 0.0022085000000000, 0.0035761000000000, -0.0007011500000000 ] - [ 0.0026614800000000, -0.0037852400000000, -0.0001212200000000 ] - [ 0.0023778300000000, -0.0036242100000000, -0.0003556800000000 ] - [ -0.0018359200000000, -0.0000318200000000, -0.0033603100000000 ] - [ -0.0025068000000000, -0.0008846900000000, -0.0025856700000000 ] - [ -0.0033058300000000, 0.0017785600000000, -0.0015163900000000 ] - [ -0.0037528800000000, -0.0006902400000000, -0.0012447400000000 ] - [ -0.0037030600000000, -0.0012875100000000, -0.0027359500000000 ] - [ -0.0033782800000000, -0.0005727700000000, -0.0026585700000000 ] - [ -0.0017555300000000, 0.0010342300000000, -0.0027623900000000 ] - [ -0.0025473800000000, 0.0006927000000000, -0.0023263800000000 ] - [ 0.0149612500000000, -0.0011895100000000, 0.0065407200000000 ] - [ 0.0035538400000000, 0.0019380400000000, -0.0081827600000000 ] - [ 0.0035858700000000, -0.0026321200000000, -0.0093239500000000 ] - [ 0.0036938900000000, -0.0016566700000000, -0.0088602200000000 ] - [ -0.0121244900000000, -0.0095569900000000, 0.0017534700000000 ] - [ -0.0011274000000000, -0.0042616900000000, 0.0006164400000000 ] - [ -0.0013177100000000, 0.0043834800000000, -0.0012240200000000 ] - [ -0.0010757300000000, 0.0037604000000000, -0.0002667700000000 ] - [ 0.0009328700000000, -0.0015582400000000, 0.0012607600000000 ] - [ 0.0007908000000000, -0.0011658600000000, 0.0012402200000000 ] - [ 0.0015292600000000, 0.0020245500000000, 0.0004969900000000 ] - [ 0.0011741100000000, 0.0012557400000000, 0.0006816400000000 ] - [ 0.0002043600000000, -0.0043902400000000, 0.0010666000000000 ] - [ 0.0003214000000000, -0.0036121800000000, 0.0019905200000000 ] - [ 0.0000755200000000, 0.0044192300000000, -0.0004211700000000 ] - [ 0.0003406900000000, 0.0042349700000000, -0.0002004700000000 ] - [ 0.0042094000000000, 0.0019187000000000, -0.0084778200000000 ] - [ 0.0041167800000000, 0.0021049100000000, -0.0085111200000000 ] - [ 0.0027260600000000, -0.0017343500000000, -0.0087919800000000 ] - [ 0.0034637200000000, -0.0021623800000000, -0.0085423900000000 ] - [ -0.0011218600000000, -0.0038694300000000, 0.0002786400000000 ] - [ -0.0009247500000000, -0.0035504400000000, 0.0005442000000000 ] - [ -0.0009567500000000, 0.0029018100000000, -0.0007366400000000 ] - [ -0.0009820800000000, 0.0038193400000000, -0.0003564000000000 ] - [ -0.0112870700000000, 0.0115082700000000, 0.0333444900000000 ] - [ 0.0012724000000000, -0.0010335100000000, 0.0014419200000000 ] - [ 0.0010669400000000, 0.0016406300000000, 0.0011095100000000 ] - [ 0.0011390700000000, 0.0015305700000000, 0.0011137000000000 ] - [ 0.0010768400000000, -0.0039260000000000, 0.0007413400000000 ] - [ 0.0005713500000000, -0.0042175700000000, 0.0002435300000000 ] - [ 0.0012812400000000, 0.0043900800000000, -0.0011737700000000 ] - [ 0.0005956700000000, 0.0041671600000000, -0.0001937000000000 ]- atom: 21 displacement: [ 0.0034429113111456, 0.0000000000000000, -0.0093886293836526 ] forces: - [ -0.0027338900000000, 0.0027410900000000, 0.0026792900000000 ] - [ -0.0028608800000000, 0.0019118600000000, 0.0026982400000000 ] - [ -0.0023298200000000, -0.0018935100000000, 0.0014291200000000 ] - [ -0.0024828900000000, -0.0022351000000000, 0.0019868700000000 ] - [ -0.0015381000000000, -0.0032862100000000, 0.0007944600000000 ] - [ -0.0016578100000000, -0.0031782300000000, 0.0006205100000000 ] - [ -0.0005947800000000, 0.0051732000000000, 0.0008716900000000 ] - [ -0.0001466400000000, 0.0012562500000000, 0.0007353200000000 ] - [ -0.0155431800000000, 0.0165626800000000, -0.0266325300000000 ] - [ -0.0140905300000000, 0.0191448500000000, -0.0231346300000000 ] - [ -0.0139825500000000, -0.0191431100000000, -0.0231231000000000 ] - [ -0.0130978300000000, -0.0180077500000000, -0.0236087100000000 ] - [ -0.0040384000000000, 0.0046153200000000, 0.0013579900000000 ] - [ -0.0043622400000000, 0.0043551000000000, 0.0013118500000000 ] - [ -0.0034566500000000, -0.0047255900000000, -0.0007692900000000 ] - [ -0.0043502600000000, -0.0045431300000000, 0.0010395500000000 ] - [ 0.0215565700000000, 0.0197873300000000, 0.0260324700000000 ] - [ 0.0189204100000000, 0.0213963600000000, 0.0284670000000000 ] - [ 0.0177861600000000, -0.0197761500000000, 0.0269965600000000 ] - [ 0.0186881600000000, -0.0218184800000000, 0.0286125600000000 ] - [ -0.0173040500000000, 0.0130097400000000, 0.0685680500000000 ] - [ 0.0022459100000000, 0.0036194500000000, -0.0001652700000000 ] - [ 0.0024793600000000, -0.0037561600000000, -0.0008735900000000 ] - [ 0.0024311800000000, -0.0036205300000000, -0.0009325600000000 ] - [ -0.0001873300000000, 0.0022866100000000, 0.0019764900000000 ] - [ -0.0022742500000000, 0.0021237000000000, 0.0021771600000000 ] - [ -0.0026957200000000, -0.0023293200000000, 0.0017820000000000 ] - [ -0.0026418800000000, -0.0021216400000000, 0.0018527300000000 ] - [ -0.0009995000000000, -0.0043609700000000, -0.0026873600000000 ] - [ -0.0015957000000000, -0.0030852000000000, 0.0009007700000000 ] - [ -0.0008853400000000, 0.0035003900000000, 0.0011005200000000 ] - [ -0.0017193300000000, 0.0031690700000000, 0.0013409100000000 ] - [ -0.0138373400000000, 0.0190248700000000, -0.0236927600000000 ] - [ -0.0138775000000000, 0.0188667300000000, -0.0233035900000000 ] - [ -0.0149034200000000, -0.0194539800000000, -0.0242514100000000 ] - [ -0.0141254100000000, -0.0188028900000000, -0.0230320500000000 ] - [ -0.0048271100000000, 0.0022008600000000, 0.0001509100000000 ] - [ -0.0044467900000000, 0.0062702900000000, -0.0000625700000000 ] - [ -0.0046771400000000, -0.0042174100000000, 0.0013231300000000 ] - [ -0.0047807700000000, -0.0045246700000000, 0.0012387700000000 ] - [ 0.0185808000000000, 0.0211474300000000, 0.0285285600000000 ] - [ 0.0179415400000000, 0.0217837600000000, 0.0282365400000000 ] - [ 0.0189667800000000, -0.0212681100000000, 0.0282352400000000 ] - [ 0.0188931000000000, -0.0212947000000000, 0.0284020500000000 ] - [ 0.0024714200000000, 0.0036366500000000, -0.0002802400000000 ] - [ 0.0024283200000000, 0.0037501300000000, -0.0002957800000000 ] - [ 0.0019764000000000, -0.0035415100000000, -0.0008759600000000 ] - [ 0.0022599800000000, -0.0037027500000000, -0.0006417500000000 ] - [ -0.0035159900000000, -0.0015243400000000, -0.0012425000000000 ] - [ -0.0028440300000000, -0.0006749400000000, -0.0020160100000000 ] - [ -0.0020455600000000, -0.0002099900000000, -0.0030814000000000 ] - [ -0.0015978500000000, 0.0022565000000000, -0.0033484800000000 ] - [ -0.0016502100000000, -0.0002706900000000, -0.0018674900000000 ] - [ -0.0019707700000000, -0.0009862800000000, -0.0019426500000000 ] - [ -0.0035878800000000, 0.0005314300000000, -0.0018298100000000 ] - [ -0.0028029300000000, 0.0008733200000000, -0.0022739300000000 ] - [ -0.0074673800000000, 0.0051793400000000, -0.0232458900000000 ] - [ 0.0035835200000000, 0.0021331600000000, -0.0086631600000000 ] - [ 0.0035546600000000, -0.0014371400000000, -0.0075234000000000 ] - [ 0.0034441500000000, -0.0024153000000000, -0.0079866400000000 ] - [ 0.0100247600000000, 0.0018183900000000, -0.0019349600000000 ] - [ -0.0009318200000000, -0.0034052000000000, -0.0006651400000000 ] - [ -0.0007409800000000, 0.0032833900000000, 0.0011769800000000 ] - [ -0.0009832300000000, 0.0039062200000000, 0.0002190100000000 ] - [ 0.0012813400000000, -0.0013766300000000, 0.0011276800000000 ] - [ 0.0014248800000000, -0.0017688600000000, 0.0011491200000000 ] - [ 0.0006865300000000, 0.0009132000000000, 0.0018940400000000 ] - [ 0.0010407800000000, 0.0016790900000000, 0.0017093200000000 ] - [ 0.0007840300000000, -0.0041013600000000, -0.0009082200000000 ] - [ 0.0007024300000000, -0.0050458200000000, -0.0018675200000000 ] - [ 0.0009106800000000, 0.0040731800000000, 0.0005760600000000 ] - [ 0.0006466300000000, 0.0042572600000000, 0.0003566800000000 ] - [ 0.0029266800000000, 0.0021507500000000, -0.0083689000000000 ] - [ 0.0030208800000000, 0.0019639000000000, -0.0083360000000000 ] - [ 0.0044158100000000, -0.0023362200000000, -0.0080541700000000 ] - [ 0.0036744400000000, -0.0019079500000000, -0.0083056100000000 ] - [ -0.0009375500000000, -0.0037976000000000, -0.0003260900000000 ] - [ -0.0011355000000000, -0.0041165700000000, -0.0005959300000000 ] - [ -0.0011018400000000, 0.0047702800000000, 0.0006876500000000 ] - [ -0.0010761300000000, 0.0038462100000000, 0.0003089100000000 ] - [ 0.0140958700000000, -0.0152826100000000, -0.0324105800000000 ] - [ 0.0009423500000000, -0.0019028600000000, 0.0009465400000000 ] - [ 0.0011497000000000, 0.0012955700000000, 0.0012836600000000 ] - [ 0.0010757500000000, 0.0014049300000000, 0.0012761300000000 ] - [ -0.0000871400000000, -0.0045699800000000, -0.0005891800000000 ] - [ 0.0004162500000000, -0.0042760200000000, -0.0000883100000000 ] - [ -0.0002985900000000, 0.0040979800000000, 0.0013264900000000 ] - [ 0.0003922400000000, 0.0043256800000000, 0.0003495500000000 ]- atom: 49 displacement: [ 0.0099999983939046, 0.0000000000000000, 0.0000056676190151 ] forces: - [ -0.0024079500000000, 0.0020308500000000, 0.0023958600000000 ] - [ -0.0029159900000000, 0.0026853300000000, 0.0037277300000000 ] - [ 0.0091036300000000, 0.0000438100000000, 0.0080792100000000 ] - [ -0.0021799000000000, -0.0021417200000000, 0.0017358600000000 ] - [ -0.0008197400000000, -0.0028892900000000, 0.0011992500000000 ] - [ -0.0004985600000000, -0.0045793500000000, 0.0024714800000000 ] - [ -0.0020797100000000, 0.0034582500000000, 0.0011084200000000 ] - [ -0.0019551200000000, 0.0030381900000000, 0.0010295600000000 ] - [ -0.0132459200000000, 0.0192870400000000, -0.0232511800000000 ] - [ -0.0138674100000000, 0.0187626100000000, -0.0228941900000000 ] - [ -0.0132005700000000, -0.0200603600000000, -0.0234260000000000 ] - [ 0.0254796200000000, -0.0608407100000000, -0.0365948000000000 ] - [ 0.0993654100000000, -0.0013887300000000, 0.0239833000000000 ] - [ -0.0037146900000000, 0.0045389000000000, 0.0014200200000000 ] - [ -0.0040072700000000, -0.0041347600000000, 0.0010367900000000 ] - [ -0.0046099500000000, -0.0043359300000000, 0.0011003700000000 ] - [ 0.0416349800000000, 0.0469122700000000, 0.0121094400000000 ] - [ 0.0194647700000000, 0.0235628500000000, 0.0282906800000000 ] - [ 0.0191507900000000, -0.0217080400000000, 0.0285564500000000 ] - [ 0.0189075900000000, -0.0212696100000000, 0.0291516100000000 ] - [ 0.0010417500000000, 0.0036946700000000, -0.0000741400000000 ] - [ 0.0019601300000000, 0.0036617000000000, -0.0004511500000000 ] - [ 0.0021092000000000, -0.0037326500000000, -0.0012474100000000 ] - [ 0.0019799100000000, -0.0031884100000000, -0.0017708600000000 ] - [ -0.0036200900000000, 0.0024854800000000, -0.0008975300000000 ] - [ -0.0027140700000000, 0.0021294000000000, 0.0019982100000000 ] - [ -0.0027579900000000, -0.0019911500000000, 0.0023082600000000 ] - [ -0.0027894300000000, -0.0024990400000000, 0.0023753700000000 ] - [ -0.0032840700000000, -0.0034147900000000, 0.0005715200000000 ] - [ -0.0020074700000000, -0.0032181800000000, 0.0011844900000000 ] - [ 0.0001502500000000, 0.0029547600000000, 0.0011532400000000 ] - [ -0.0012159000000000, 0.0031219200000000, 0.0013689300000000 ] - [ -0.0139906200000000, 0.0193949300000000, -0.0239039000000000 ] - [ -0.0142435100000000, 0.0188567500000000, -0.0233645300000000 ] - [ -0.0142102900000000, -0.0181674100000000, -0.0226822200000000 ] - [ -0.0142551600000000, -0.0194801000000000, -0.0231146300000000 ] - [ -0.0054684400000000, 0.0045027400000000, 0.0012173700000000 ] - [ -0.0049488700000000, 0.0034754500000000, 0.0013383700000000 ] - [ -0.0041422100000000, -0.0043535200000000, 0.0014707300000000 ] - [ -0.0041033700000000, -0.0045860800000000, 0.0015848200000000 ] - [ 0.0186125600000000, 0.0216869400000000, 0.0285464800000000 ] - [ 0.0161481900000000, 0.0195999200000000, 0.0291835700000000 ] - [ 0.0189326900000000, -0.0216024000000000, 0.0278587500000000 ] - [ 0.0187009300000000, -0.0212349000000000, 0.0283546100000000 ] - [ 0.0033528500000000, 0.0052139800000000, -0.0008737300000000 ] - [ 0.0038978000000000, 0.0015464200000000, -0.0010177900000000 ] - [ 0.0021978600000000, -0.0036215900000000, 0.0004360500000000 ] - [ 0.0023543700000000, -0.0038455400000000, -0.0003499100000000 ] - [ -0.1826602800000000, 0.0126932600000000, -0.0072377600000000 ] - [ -0.0051197800000000, -0.0009146400000000, -0.0008939500000000 ] - [ -0.0034666100000000, 0.0010966300000000, -0.0030835300000000 ] - [ -0.0037025800000000, 0.0010338300000000, -0.0038083800000000 ] - [ -0.0014844200000000, -0.0022858600000000, -0.0027722200000000 ] - [ -0.0014826100000000, 0.0010547100000000, -0.0033224500000000 ] - [ -0.0038522800000000, 0.0001411100000000, 0.0008487300000000 ] - [ -0.0022957600000000, 0.0007921100000000, -0.0021182000000000 ] - [ 0.0030384200000000, 0.0017184200000000, -0.0087595700000000 ] - [ 0.0035168800000000, 0.0018128100000000, -0.0085364800000000 ] - [ 0.0016230500000000, 0.0007526900000000, -0.0044636400000000 ] - [ 0.0007939500000000, -0.0059388100000000, -0.0039443000000000 ] - [ 0.0007698300000000, -0.0042808700000000, 0.0002314500000000 ] - [ -0.0007315900000000, -0.0037337100000000, 0.0001745500000000 ] - [ -0.0023988600000000, 0.0033980900000000, -0.0051269300000000 ] - [ -0.0013587300000000, 0.0036139100000000, -0.0001829400000000 ] - [ 0.0009121200000000, -0.0022504100000000, 0.0007840000000000 ] - [ 0.0052012000000000, 0.0101317100000000, 0.0010625000000000 ] - [ 0.0014500900000000, 0.0008371600000000, 0.0014884500000000 ] - [ 0.0009591400000000, 0.0013265400000000, 0.0016965600000000 ] - [ 0.0010430900000000, -0.0042438500000000, 0.0000610600000000 ] - [ 0.0016334100000000, -0.0042892300000000, 0.0004542800000000 ] - [ 0.0003463300000000, 0.0035307400000000, -0.0003664100000000 ] - [ 0.0010352400000000, 0.0044232100000000, -0.0002542900000000 ] - [ 0.0038697500000000, 0.0018369000000000, -0.0082523700000000 ] - [ 0.0038872700000000, 0.0028698700000000, -0.0080855000000000 ] - [ 0.0057099600000000, -0.0022811000000000, -0.0097824200000000 ] - [ 0.0037658100000000, -0.0019884300000000, -0.0086817700000000 ] - [ -0.0022221500000000, -0.0031270800000000, -0.0012211500000000 ] - [ -0.0050355200000000, -0.0033719300000000, -0.0057301200000000 ] - [ -0.0005886100000000, 0.0041673600000000, 0.0006481400000000 ] - [ -0.0003767800000000, 0.0038005300000000, 0.0000220500000000 ] - [ 0.0092224000000000, 0.0015984200000000, -0.0003254200000000 ] - [ 0.0021083600000000, -0.0013061900000000, 0.0012987600000000 ] - [ 0.0011770400000000, 0.0017764100000000, 0.0007854000000000 ] - [ 0.0010486000000000, 0.0014358300000000, 0.0010762800000000 ] - [ -0.0031434900000000, -0.0104273900000000, 0.0105248200000000 ] - [ 0.0000892600000000, -0.0034091800000000, -0.0004487800000000 ] - [ 0.0006893900000000, 0.0052520800000000, 0.0036035600000000 ] - [ 0.0007384200000000, 0.0043934700000000, 0.0002051100000000 ]- atom: 49 displacement: [ -0.0099999983939046, 0.0000000000000000, -0.0000056676190151 ] forces: - [ -0.0026155000000000, 0.0023829200000000, 0.0018112400000000 ] - [ -0.0021112700000000, 0.0017297200000000, 0.0004773400000000 ] - [ -0.0140502800000000, -0.0044145500000000, -0.0034595100000000 ] - [ -0.0028459600000000, -0.0022755900000000, 0.0024660000000000 ] - [ -0.0024920300000000, -0.0034682200000000, 0.0012876000000000 ] - [ -0.0028186500000000, -0.0017878100000000, 0.0000270600000000 ] - [ -0.0012382900000000, 0.0028989900000000, 0.0013756800000000 ] - [ -0.0013624900000000, 0.0033177800000000, 0.0014551600000000 ] - [ -0.0147464700000000, 0.0186204400000000, -0.0230441200000000 ] - [ -0.0141281500000000, 0.0191387800000000, -0.0233966400000000 ] - [ -0.0147915400000000, -0.0178493200000000, -0.0228678500000000 ] - [ -0.0537552700000000, 0.0240632800000000, -0.0093423400000000 ] - [ -0.1034961300000000, 0.0099935200000000, -0.0198791000000000 ] - [ -0.0051156400000000, 0.0042285000000000, 0.0011551100000000 ] - [ -0.0048296900000000, -0.0046354600000000, 0.0015355100000000 ] - [ -0.0042239800000000, -0.0044340300000000, 0.0014727100000000 ] - [ -0.0039536500000000, -0.0046679300000000, 0.0451086700000000 ] - [ 0.0181437700000000, 0.0190979100000000, 0.0286925100000000 ] - [ 0.0184525300000000, -0.0209575600000000, 0.0284289600000000 ] - [ 0.0186975000000000, -0.0213983800000000, 0.0278323800000000 ] - [ 0.0035967000000000, 0.0036324600000000, -0.0009252400000000 ] - [ 0.0026771900000000, 0.0036632800000000, -0.0005460600000000 ] - [ 0.0025252100000000, -0.0035968500000000, 0.0002472800000000 ] - [ 0.0026544900000000, -0.0041356800000000, 0.0007714100000000 ] - [ -0.0014230300000000, 0.0019299900000000, 0.0050792800000000 ] - [ -0.0023146300000000, 0.0022837500000000, 0.0022039500000000 ] - [ -0.0022691800000000, -0.0024241900000000, 0.0018910900000000 ] - [ -0.0022396200000000, -0.0019175500000000, 0.0018256600000000 ] - [ -0.0000298000000000, -0.0029401500000000, 0.0019140600000000 ] - [ -0.0013094800000000, -0.0031406300000000, 0.0013000300000000 ] - [ -0.0034612300000000, 0.0034032000000000, 0.0013258400000000 ] - [ -0.0020976100000000, 0.0032341000000000, 0.0011159100000000 ] - [ -0.0140076100000000, 0.0185107600000000, -0.0223904100000000 ] - [ -0.0137534600000000, 0.0190461100000000, -0.0229322000000000 ] - [ -0.0137980400000000, -0.0197391300000000, -0.0236165700000000 ] - [ -0.0137447800000000, -0.0184264500000000, -0.0231793100000000 ] - [ -0.0033590600000000, 0.0042676400000000, 0.0013553400000000 ] - [ -0.0038799100000000, 0.0052865400000000, 0.0012333800000000 ] - [ -0.0046884700000000, -0.0044169200000000, 0.0011046000000000 ] - [ -0.0047285700000000, -0.0041840700000000, 0.0009898300000000 ] - [ 0.0189899100000000, 0.0209763400000000, 0.0284353100000000 ] - [ 0.0214516700000000, 0.0230680200000000, 0.0277950600000000 ] - [ 0.0186689700000000, -0.0210647900000000, 0.0291240600000000 ] - [ 0.0189028700000000, -0.0214332600000000, 0.0286253400000000 ] - [ 0.0012835900000000, 0.0021199400000000, -0.0001321000000000 ] - [ 0.0007354100000000, 0.0057630100000000, 0.0000103600000000 ] - [ 0.0024377600000000, -0.0037060100000000, -0.0014268300000000 ] - [ 0.0022837400000000, -0.0034832300000000, -0.0006469700000000 ] - [ 0.1727658500000000, -0.0147944200000000, 0.0000417000000000 ] - [ -0.0002354400000000, -0.0006426800000000, -0.0037039400000000 ] - [ -0.0018871000000000, 0.0004698300000000, -0.0015229500000000 ] - [ -0.0016516500000000, 0.0005308200000000, -0.0007958700000000 ] - [ -0.0038621700000000, 0.0007282100000000, -0.0018257600000000 ] - [ -0.0038611100000000, -0.0026120200000000, -0.0012733100000000 ] - [ -0.0014931700000000, 0.0014228500000000, -0.0054429300000000 ] - [ -0.0030519000000000, 0.0007747300000000, -0.0024813200000000 ] - [ 0.0040980000000000, 0.0023463000000000, -0.0080852600000000 ] - [ 0.0036204300000000, 0.0022562700000000, -0.0083107800000000 ] - [ 0.0055164100000000, -0.0047894700000000, -0.0123771700000000 ] - [ 0.0063328200000000, 0.0018685400000000, -0.0129054900000000 ] - [ -0.0028289600000000, -0.0033902200000000, -0.0002815900000000 ] - [ -0.0013253700000000, -0.0039341500000000, -0.0002228800000000 ] - [ 0.0003188000000000, 0.0042725800000000, 0.0050601500000000 ] - [ -0.0007009000000000, 0.0040505200000000, 0.0001337900000000 ] - [ 0.0013063300000000, -0.0006899700000000, 0.0016012200000000 ] - [ -0.0029371000000000, -0.0130088700000000, 0.0013336300000000 ] - [ 0.0007678800000000, 0.0020997200000000, 0.0009067300000000 ] - [ 0.0012560100000000, 0.0016075700000000, 0.0006947500000000 ] - [ -0.0000523900000000, -0.0042488500000000, 0.0000944300000000 ] - [ -0.0006431100000000, -0.0042019300000000, -0.0003012100000000 ] - [ 0.0006424600000000, 0.0049559100000000, 0.0005206100000000 ] - [ -0.0000419300000000, 0.0040715400000000, 0.0004079600000000 ] - [ 0.0032734900000000, 0.0022310400000000, -0.0085908800000000 ] - [ 0.0032560400000000, 0.0011982700000000, -0.0087560800000000 ] - [ 0.0014213100000000, -0.0017895300000000, -0.0070576200000000 ] - [ 0.0033727800000000, -0.0020816100000000, -0.0081649700000000 ] - [ 0.0001540300000000, -0.0045368800000000, 0.0011686400000000 ] - [ 0.0029690200000000, -0.0043040800000000, 0.0056878400000000 ] - [ -0.0014678900000000, 0.0034903100000000, -0.0006968900000000 ] - [ -0.0016791900000000, 0.0038646100000000, -0.0000679800000000 ] - [ -0.0070692200000000, -0.0045783200000000, 0.0027401500000000 ] - [ 0.0001081900000000, -0.0016313500000000, 0.0010905500000000 ] - [ 0.0010399300000000, 0.0011608100000000, 0.0016028700000000 ] - [ 0.0011664700000000, 0.0014995900000000, 0.0013137600000000 ] - [ 0.0041198700000000, 0.0019046900000000, -0.0103067800000000 ] - [ 0.0008965500000000, -0.0050761900000000, 0.0006023100000000 ] - [ 0.0003142400000000, 0.0032460000000000, -0.0034690900000000 ] - [ 0.0002498400000000, 0.0041006000000000, -0.0000487800000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0024115000000000, 0.0022513700000000, 0.0034461100000000 ] - [ -0.0013631600000000, 0.0018001700000000, -0.0007372800000000 ] - [ -0.0013777600000000, 0.0114131400000000, 0.0205030500000000 ] - [ -0.0026148500000000, -0.0031224200000000, 0.0022612900000000 ] - [ -0.0006892400000000, -0.0043655300000000, 0.0003151000000000 ] - [ -0.0038145200000000, -0.0034199700000000, 0.0027389100000000 ] - [ -0.0017454800000000, 0.0032311100000000, 0.0012136500000000 ] - [ -0.0016933100000000, 0.0031720800000000, 0.0012649500000000 ] - [ -0.0134058600000000, 0.0203713600000000, -0.0240328500000000 ] - [ -0.0140769900000000, 0.0181567000000000, -0.0226573000000000 ] - [ -0.0133763000000000, -0.0218422400000000, -0.0230351200000000 ] - [ -0.0593681500000000, 0.0526654400000000, -0.0046010600000000 ] - [ -0.0080658800000000, 0.0160717600000000, -0.0019155700000000 ] - [ -0.0045982800000000, 0.0034901200000000, 0.0015204200000000 ] - [ -0.0052230500000000, -0.0042286500000000, 0.0007376400000000 ] - [ -0.0043243100000000, -0.0048893200000000, 0.0012406800000000 ] - [ 0.0440822200000000, 0.0860023700000000, -0.0053395700000000 ] - [ 0.0185588500000000, 0.0183116700000000, 0.0285544800000000 ] - [ 0.0187215000000000, -0.0206842100000000, 0.0288608500000000 ] - [ 0.0189920400000000, -0.0218032500000000, 0.0278976500000000 ] - [ 0.0016716900000000, 0.0053234000000000, 0.0000537900000000 ] - [ 0.0023687300000000, 0.0028142300000000, -0.0005925900000000 ] - [ 0.0021057400000000, -0.0041456200000000, -0.0016345500000000 ] - [ 0.0027751400000000, -0.0039775500000000, 0.0012408400000000 ] - [ -0.0030046900000000, 0.0026120200000000, 0.0016098500000000 ] - [ -0.0025119600000000, 0.0017092300000000, 0.0020126200000000 ] - [ -0.0026912100000000, -0.0020442700000000, 0.0019841100000000 ] - [ -0.0025780000000000, -0.0021080900000000, 0.0021708700000000 ] - [ -0.0026189300000000, -0.0020779000000000, 0.0009998700000000 ] - [ -0.0016612500000000, -0.0037040200000000, 0.0013254200000000 ] - [ -0.0018980700000000, 0.0046208500000000, 0.0002935700000000 ] - [ -0.0015891100000000, 0.0025539100000000, 0.0012937100000000 ] - [ -0.0141908700000000, 0.0192893100000000, -0.0232132500000000 ] - [ -0.0139279000000000, 0.0184528000000000, -0.0232087200000000 ] - [ -0.0145559100000000, -0.0178155400000000, -0.0228248900000000 ] - [ -0.0133480200000000, -0.0196193000000000, -0.0232046100000000 ] - [ -0.0072368300000000, 0.0039245800000000, 0.0009470400000000 ] - [ -0.0032474300000000, 0.0048431000000000, 0.0015919800000000 ] - [ -0.0042600100000000, -0.0044913200000000, 0.0013705000000000 ] - [ -0.0045560900000000, -0.0040645200000000, 0.0012543400000000 ] - [ 0.0181241200000000, 0.0207980400000000, 0.0284760000000000 ] - [ 0.0199187200000000, 0.0228012100000000, 0.0282493600000000 ] - [ 0.0186955900000000, -0.0208486700000000, 0.0283355700000000 ] - [ 0.0188067800000000, -0.0217653700000000, 0.0285087600000000 ] - [ 0.0032517500000000, 0.0034358100000000, 0.0000626800000000 ] - [ 0.0005790800000000, 0.0031853900000000, -0.0016798800000000 ] - [ 0.0023730300000000, -0.0030933100000000, -0.0007483200000000 ] - [ 0.0024010700000000, -0.0043981900000000, -0.0003718300000000 ] - [ 0.0130049500000000, -0.1705379000000000, -0.0072434100000000 ] - [ -0.0028114500000000, 0.0022774000000000, -0.0027090100000000 ] - [ -0.0029905600000000, 0.0004324100000000, -0.0037364000000000 ] - [ -0.0029292600000000, -0.0006915100000000, -0.0004420100000000 ] - [ -0.0008431900000000, -0.0019765500000000, -0.0020890400000000 ] - [ -0.0041800800000000, -0.0019754200000000, -0.0023151400000000 ] - [ -0.0020295400000000, -0.0001381000000000, -0.0022402700000000 ] - [ -0.0026839200000000, 0.0014204100000000, -0.0022862700000000 ] - [ 0.0031011400000000, 0.0012723100000000, -0.0088428500000000 ] - [ 0.0035860500000000, 0.0031708200000000, -0.0082617100000000 ] - [ 0.0030290700000000, 0.0084160600000000, -0.0013165400000000 ] - [ 0.0045027100000000, 0.0065994800000000, -0.0135052700000000 ] - [ -0.0007571600000000, -0.0039810700000000, 0.0000995100000000 ] - [ -0.0009977800000000, -0.0034017400000000, 0.0001621900000000 ] - [ -0.0016681100000000, 0.0016713000000000, -0.0021237500000000 ] - [ -0.0009389800000000, 0.0049551400000000, 0.0002138500000000 ] - [ 0.0007943800000000, -0.0008115400000000, 0.0008964400000000 ] - [ 0.0047749400000000, -0.0031615800000000, 0.0023288900000000 ] - [ 0.0007734800000000, 0.0010699600000000, 0.0013265300000000 ] - [ 0.0013470300000000, 0.0019412200000000, 0.0007721500000000 ] - [ 0.0009731100000000, -0.0032916800000000, -0.0003615600000000 ] - [ -0.0009328000000000, -0.0054186000000000, 0.0008682300000000 ] - [ 0.0000631200000000, 0.0035551800000000, 0.0004291900000000 ] - [ 0.0014188100000000, 0.0052801500000000, -0.0006527800000000 ] - [ 0.0033655300000000, 0.0023288600000000, -0.0089041900000000 ] - [ 0.0039397600000000, 0.0014730800000000, -0.0076248100000000 ] - [ 0.0040760100000000, -0.0024089200000000, -0.0086038000000000 ] - [ 0.0034832500000000, -0.0013386700000000, -0.0083745900000000 ] - [ -0.0015090300000000, -0.0021716600000000, -0.0009649000000000 ] - [ 0.0015674900000000, -0.0016717200000000, 0.0104767900000000 ] - [ -0.0005320300000000, 0.0035705000000000, 0.0002699900000000 ] - [ -0.0014180100000000, 0.0044397800000000, -0.0000296100000000 ] - [ 0.0093857700000000, -0.0065149500000000, 0.0017395700000000 ] - [ 0.0007681000000000, -0.0003346800000000, 0.0011754600000000 ] - [ 0.0011567900000000, 0.0012814800000000, 0.0015095700000000 ] - [ 0.0011001900000000, 0.0018269400000000, 0.0011476600000000 ] - [ -0.0032552600000000, -0.0059622200000000, -0.0020850800000000 ] - [ 0.0004632900000000, -0.0031757000000000, 0.0001719000000000 ] - [ 0.0017999300000000, 0.0019777200000000, -0.0015079400000000 ] - [ 0.0006011600000000, 0.0052121100000000, 0.0000947400000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0026097300000000, 0.0021626900000000, 0.0007559800000000 ] - [ -0.0036626500000000, 0.0026096800000000, 0.0049346100000000 ] - [ -0.0036459200000000, -0.0156311100000000, -0.0160222000000000 ] - [ -0.0024109300000000, -0.0012978900000000, 0.0019392800000000 ] - [ -0.0026276900000000, -0.0019901100000000, 0.0021741300000000 ] - [ 0.0004875000000000, -0.0029410600000000, -0.0002459200000000 ] - [ -0.0015697600000000, 0.0031233400000000, 0.0012700300000000 ] - [ -0.0016217600000000, 0.0031827000000000, 0.0012198400000000 ] - [ -0.0145899500000000, 0.0175348800000000, -0.0222618600000000 ] - [ -0.0139187400000000, 0.0197408300000000, -0.0236321900000000 ] - [ -0.0146166000000000, -0.0160632300000000, -0.0232663900000000 ] - [ 0.0293312500000000, -0.0881312100000000, -0.0407068500000000 ] - [ -0.0012604300000000, -0.0072850300000000, 0.0043649900000000 ] - [ -0.0042330400000000, 0.0052766800000000, 0.0010520600000000 ] - [ -0.0036150700000000, -0.0045452000000000, 0.0018343800000000 ] - [ -0.0045084600000000, -0.0038826200000000, 0.0013336500000000 ] - [ -0.0078504400000000, -0.0456226900000000, 0.0638902600000000 ] - [ 0.0190531300000000, 0.0243508500000000, 0.0284266800000000 ] - [ 0.0188813000000000, -0.0219855000000000, 0.0281247900000000 ] - [ 0.0186126000000000, -0.0208652500000000, 0.0290848000000000 ] - [ 0.0029787900000000, 0.0019995100000000, -0.0010571000000000 ] - [ 0.0022697400000000, 0.0045090700000000, -0.0004059000000000 ] - [ 0.0025319300000000, -0.0031834100000000, 0.0006394800000000 ] - [ 0.0018661800000000, -0.0033547700000000, -0.0022317800000000 ] - [ -0.0020217000000000, 0.0017992400000000, 0.0025961900000000 ] - [ -0.0025156500000000, 0.0027020800000000, 0.0021887600000000 ] - [ -0.0023365700000000, -0.0023743100000000, 0.0022161100000000 ] - [ -0.0024516600000000, -0.0023092400000000, 0.0020279200000000 ] - [ -0.0006952900000000, -0.0042820700000000, 0.0014872400000000 ] - [ -0.0016536400000000, -0.0026564800000000, 0.0011582400000000 ] - [ -0.0014236100000000, 0.0017342900000000, 0.0021829000000000 ] - [ -0.0017257200000000, 0.0037992900000000, 0.0011908300000000 ] - [ -0.0138056600000000, 0.0186118600000000, -0.0230798600000000 ] - [ -0.0140669300000000, 0.0194489100000000, -0.0230861100000000 ] - [ -0.0134481600000000, -0.0200880400000000, -0.0234687100000000 ] - [ -0.0146532900000000, -0.0182845300000000, -0.0230900900000000 ] - [ -0.0015841700000000, 0.0048471100000000, 0.0016266100000000 ] - [ -0.0055821700000000, 0.0039128300000000, 0.0009772300000000 ] - [ -0.0045708900000000, -0.0042822600000000, 0.0012053200000000 ] - [ -0.0042770300000000, -0.0047061500000000, 0.0013197600000000 ] - [ 0.0194800300000000, 0.0218637300000000, 0.0285053300000000 ] - [ 0.0176819000000000, 0.0198632500000000, 0.0287313900000000 ] - [ 0.0189072500000000, -0.0218181700000000, 0.0286465100000000 ] - [ 0.0187983200000000, -0.0209048300000000, 0.0284724600000000 ] - [ 0.0013837300000000, 0.0038877000000000, -0.0010633100000000 ] - [ 0.0040533300000000, 0.0041369000000000, 0.0006771200000000 ] - [ 0.0022690400000000, -0.0042346600000000, -0.0002510100000000 ] - [ 0.0022362100000000, -0.0029309300000000, -0.0006250500000000 ] - [ -0.0144865200000000, 0.1688307900000000, 0.0000002600000000 ] - [ -0.0025413500000000, -0.0038396900000000, -0.0018894800000000 ] - [ -0.0023646100000000, 0.0011351800000000, -0.0008702300000000 ] - [ -0.0024232400000000, 0.0022529100000000, -0.0041581900000000 ] - [ -0.0045090500000000, 0.0004158300000000, -0.0025139100000000 ] - [ -0.0011656500000000, 0.0004169500000000, -0.0022812600000000 ] - [ -0.0033103200000000, 0.0017033600000000, -0.0023677700000000 ] - [ -0.0026657000000000, 0.0001447500000000, -0.0023149500000000 ] - [ 0.0040389900000000, 0.0027912300000000, -0.0079985100000000 ] - [ 0.0035524900000000, 0.0008975400000000, -0.0085858600000000 ] - [ 0.0040935300000000, -0.0125982600000000, -0.0155803400000000 ] - [ 0.0026171000000000, -0.0106032700000000, -0.0033617200000000 ] - [ -0.0013096100000000, -0.0036902000000000, -0.0001470900000000 ] - [ -0.0010602800000000, -0.0042684100000000, -0.0002117400000000 ] - [ -0.0003991100000000, 0.0059587900000000, 0.0020864600000000 ] - [ -0.0011205800000000, 0.0027043600000000, -0.0002666000000000 ] - [ 0.0014232800000000, -0.0021284300000000, 0.0014964200000000 ] - [ -0.0025287400000000, 0.0002285800000000, 0.0000711300000000 ] - [ 0.0014458500000000, 0.0018696300000000, 0.0010633000000000 ] - [ 0.0008704200000000, 0.0009920200000000, 0.0016142500000000 ] - [ 0.0000172700000000, -0.0052027000000000, 0.0005191000000000 ] - [ 0.0019212900000000, -0.0030722900000000, -0.0007160800000000 ] - [ 0.0009276500000000, 0.0049395400000000, -0.0002779000000000 ] - [ -0.0004226600000000, 0.0032139700000000, 0.0008026000000000 ] - [ 0.0037739400000000, 0.0017391700000000, -0.0079436300000000 ] - [ 0.0032014400000000, 0.0025895000000000, -0.0092205400000000 ] - [ 0.0030578200000000, -0.0016644700000000, -0.0082436800000000 ] - [ 0.0036552000000000, -0.0027340400000000, -0.0084720700000000 ] - [ -0.0005540200000000, -0.0054890000000000, 0.0009126900000000 ] - [ -0.0036204100000000, -0.0059809500000000, -0.0104795100000000 ] - [ -0.0015280700000000, 0.0040941900000000, -0.0003197400000000 ] - [ -0.0006427400000000, 0.0032248600000000, -0.0000172400000000 ] - [ -0.0071983400000000, 0.0035853600000000, 0.0006402800000000 ] - [ 0.0014472300000000, -0.0026050500000000, 0.0012133200000000 ] - [ 0.0010592200000000, 0.0016495100000000, 0.0008829900000000 ] - [ 0.0011151800000000, 0.0011074000000000, 0.0012402200000000 ] - [ 0.0042524100000000, -0.0025082900000000, 0.0022261800000000 ] - [ 0.0005240900000000, -0.0053169200000000, -0.0000170900000000 ] - [ -0.0007988700000000, 0.0064929300000000, 0.0016648000000000 ] - [ 0.0003865200000000, 0.0032769500000000, 0.0000605900000000 ]- atom: 49 displacement: [ -0.0034429113111456, 0.0000000000000000, 0.0093886293836526 ] forces: - [ -0.0023922900000000, 0.0017099300000000, 0.0013428800000000 ] - [ -0.0020933500000000, 0.0025181700000000, 0.0011295200000000 ] - [ -0.0019197900000000, 0.0137260400000000, 0.0900182500000000 ] - [ -0.0026511000000000, -0.0022489800000000, 0.0027621300000000 ] - [ -0.0016828400000000, -0.0038516500000000, 0.0020438300000000 ] - [ -0.0014018900000000, -0.0016668800000000, 0.0022936900000000 ] - [ -0.0015576700000000, 0.0028341700000000, 0.0007215000000000 ] - [ -0.0016488800000000, 0.0032781700000000, 0.0010182900000000 ] - [ -0.0130522200000000, 0.0204514500000000, -0.0251952600000000 ] - [ -0.0139488200000000, 0.0185873400000000, -0.0233960900000000 ] - [ -0.0150034800000000, -0.0167860500000000, -0.0225408500000000 ] - [ -0.0412410600000000, 0.0126011400000000, -0.0013346300000000 ] - [ -0.0177461900000000, 0.0036042200000000, 0.0071568400000000 ] - [ -0.0049218400000000, 0.0042560200000000, 0.0014879600000000 ] - [ -0.0068128400000000, -0.0052925400000000, -0.0007690700000000 ] - [ -0.0044437800000000, -0.0043857400000000, 0.0011276500000000 ] - [ -0.0045554800000000, -0.0184089000000000, 0.0625424100000000 ] - [ 0.0182806200000000, 0.0197179400000000, 0.0287362100000000 ] - [ 0.0193161700000000, -0.0221786600000000, 0.0280297300000000 ] - [ 0.0188598700000000, -0.0209610900000000, 0.0282410900000000 ] - [ 0.0034227000000000, 0.0034121800000000, -0.0014606700000000 ] - [ 0.0025248100000000, 0.0036521400000000, -0.0007702900000000 ] - [ 0.0016309200000000, -0.0050228100000000, 0.0002627100000000 ] - [ 0.0016518200000000, -0.0022762300000000, 0.0007056800000000 ] - [ -0.0030103000000000, 0.0019713900000000, 0.0027026700000000 ] - [ -0.0026017600000000, 0.0021980400000000, 0.0018924400000000 ] - [ -0.0023596300000000, -0.0024988300000000, 0.0025228700000000 ] - [ -0.0023910300000000, -0.0020316000000000, 0.0023361100000000 ] - [ -0.0026946000000000, -0.0033944200000000, 0.0028213000000000 ] - [ -0.0016897300000000, -0.0031157200000000, 0.0016465100000000 ] - [ -0.0018416500000000, 0.0029827900000000, -0.0007263200000000 ] - [ -0.0016690700000000, 0.0031809900000000, 0.0008277000000000 ] - [ -0.0145093800000000, 0.0185021700000000, -0.0231712700000000 ] - [ -0.0140324800000000, 0.0190468000000000, -0.0233816000000000 ] - [ -0.0139531100000000, -0.0191647700000000, -0.0226776600000000 ] - [ -0.0136423500000000, -0.0189943700000000, -0.0229432000000000 ] - [ -0.0029275700000000, 0.0047360000000000, 0.0016532100000000 ] - [ -0.0038387000000000, 0.0045744100000000, 0.0016211200000000 ] - [ -0.0041922400000000, -0.0047887100000000, 0.0010323200000000 ] - [ -0.0041572100000000, -0.0042716500000000, 0.0009686800000000 ] - [ 0.0193050100000000, 0.0214934800000000, 0.0286827600000000 ] - [ 0.0189228500000000, 0.0215220500000000, 0.0286739100000000 ] - [ 0.0182331600000000, -0.0209527700000000, 0.0283714400000000 ] - [ 0.0187496100000000, -0.0214324700000000, 0.0283318000000000 ] - [ 0.0015409900000000, 0.0035648100000000, -0.0008836800000000 ] - [ 0.0013369900000000, 0.0035988600000000, -0.0009154300000000 ] - [ 0.0038679700000000, -0.0037346700000000, -0.0007316000000000 ] - [ 0.0024100400000000, -0.0035494300000000, -0.0005386200000000 ] - [ 0.0559872600000000, -0.0082751400000000, -0.1557715000000000 ] - [ -0.0005134900000000, -0.0011158600000000, -0.0044417700000000 ] - [ -0.0031382100000000, 0.0020226200000000, -0.0011441800000000 ] - [ -0.0037362400000000, -0.0010442800000000, -0.0013951700000000 ] - [ -0.0040432300000000, -0.0002766200000000, -0.0034165400000000 ] - [ -0.0035268200000000, -0.0012128000000000, -0.0032238900000000 ] - [ 0.0006873000000000, 0.0009432000000000, -0.0027419100000000 ] - [ -0.0026351000000000, 0.0007675600000000, -0.0019284100000000 ] - [ 0.0027128500000000, 0.0022728700000000, -0.0066722900000000 ] - [ 0.0034482200000000, 0.0020406600000000, -0.0079670000000000 ] - [ 0.0067993000000000, 0.0012935800000000, -0.0169411300000000 ] - [ 0.0065108100000000, 0.0008921300000000, -0.0138130400000000 ] - [ -0.0018992300000000, -0.0037674300000000, 0.0005397500000000 ] - [ -0.0011161400000000, -0.0039344100000000, 0.0000741500000000 ] - [ -0.0100367600000000, -0.0024247000000000, 0.0061976300000000 ] - [ -0.0008503800000000, 0.0040529000000000, -0.0000443400000000 ] - [ 0.0012643600000000, -0.0012218800000000, 0.0007276900000000 ] - [ 0.0011390100000000, -0.0019762600000000, 0.0006297400000000 ] - [ 0.0014449200000000, 0.0033176100000000, 0.0022891300000000 ] - [ 0.0013655700000000, 0.0013033900000000, 0.0014725700000000 ] - [ 0.0001644400000000, -0.0043122200000000, 0.0006966600000000 ] - [ 0.0003145300000000, -0.0040342000000000, 0.0006260300000000 ] - [ 0.0000952200000000, 0.0051931700000000, -0.0000408300000000 ] - [ 0.0000117500000000, 0.0041013400000000, 0.0004707900000000 ] - [ 0.0038278100000000, 0.0023298100000000, -0.0078797700000000 ] - [ 0.0037360700000000, 0.0014375300000000, -0.0078751900000000 ] - [ 0.0039829900000000, -0.0023682900000000, -0.0093391700000000 ] - [ 0.0035817900000000, -0.0020043000000000, -0.0086922600000000 ] - [ -0.0008171800000000, -0.0043560600000000, 0.0012091900000000 ] - [ -0.0010427400000000, -0.0004265800000000, 0.0056619600000000 ] - [ -0.0006423700000000, 0.0040973100000000, -0.0003277800000000 ] - [ -0.0005780200000000, 0.0036283200000000, -0.0001168000000000 ] - [ -0.0064223900000000, -0.0015777000000000, 0.0005984500000000 ] - [ 0.0002544400000000, -0.0012678300000000, 0.0010929000000000 ] - [ 0.0014660300000000, 0.0016786000000000, 0.0026962400000000 ] - [ 0.0011581300000000, 0.0016931300000000, 0.0014050200000000 ] - [ 0.0062310100000000, -0.0040714700000000, 0.0024923500000000 ] - [ 0.0006892400000000, -0.0040984900000000, 0.0004227000000000 ] - [ 0.0103308800000000, -0.0008535800000000, 0.0023970300000000 ] - [ 0.0003252000000000, 0.0048426400000000, -0.0001960700000000 ]- atom: 49 displacement: [ 0.0034429113111456, 0.0000000000000000, -0.0093886293836526 ] forces: - [ -0.0026299200000000, 0.0027040900000000, 0.0028661100000000 ] - [ -0.0029318400000000, 0.0018936900000000, 0.0030777400000000 ] - [ -0.0036550500000000, -0.0189263400000000, -0.0897448800000000 ] - [ -0.0023755500000000, -0.0021677400000000, 0.0014402000000000 ] - [ -0.0016324400000000, -0.0025016000000000, 0.0004417500000000 ] - [ -0.0019200300000000, -0.0046953600000000, 0.0001873400000000 ] - [ -0.0017585600000000, 0.0035233900000000, 0.0017662300000000 ] - [ -0.0016660200000000, 0.0030789300000000, 0.0014705600000000 ] - [ -0.0149461900000000, 0.0174504400000000, -0.0210858700000000 ] - [ -0.0140469500000000, 0.0193131800000000, -0.0228920800000000 ] - [ -0.0129918400000000, -0.0211065200000000, -0.0237561000000000 ] - [ 0.0129673700000000, -0.0499532800000000, -0.0450940900000000 ] - [ 0.0084556200000000, 0.0051942000000000, -0.0046627700000000 ] - [ -0.0039098200000000, 0.0045128600000000, 0.0010857300000000 ] - [ -0.0020254000000000, -0.0034756800000000, 0.0033533300000000 ] - [ -0.0043880300000000, -0.0043843200000000, 0.0014488100000000 ] - [ 0.0417036300000000, 0.0599555700000000, -0.0052866100000000 ] - [ 0.0193250700000000, 0.0229496700000000, 0.0282449700000000 ] - [ 0.0182869000000000, -0.0204898500000000, 0.0289599100000000 ] - [ 0.0187446700000000, -0.0217074900000000, 0.0287429300000000 ] - [ 0.0012175700000000, 0.0039174300000000, 0.0004672600000000 ] - [ 0.0021133900000000, 0.0036732700000000, -0.0002260100000000 ] - [ 0.0030086900000000, -0.0022954800000000, -0.0012571200000000 ] - [ 0.0029957400000000, -0.0050623900000000, -0.0016934000000000 ] - [ -0.0020228900000000, 0.0024448000000000, 0.0014952600000000 ] - [ -0.0024242000000000, 0.0022162900000000, 0.0023126900000000 ] - [ -0.0026680100000000, -0.0019152500000000, 0.0016777700000000 ] - [ -0.0026363300000000, -0.0023832100000000, 0.0018643500000000 ] - [ -0.0006096100000000, -0.0029637000000000, -0.0003404000000000 ] - [ -0.0016241300000000, -0.0032425400000000, 0.0008374200000000 ] - [ -0.0014789100000000, 0.0033720100000000, 0.0032099400000000 ] - [ -0.0016461000000000, 0.0031750200000000, 0.0016592700000000 ] - [ -0.0134876100000000, 0.0194042500000000, -0.0231199400000000 ] - [ -0.0139616700000000, 0.0188578300000000, -0.0229091700000000 ] - [ -0.0140468800000000, -0.0187395300000000, -0.0236180400000000 ] - [ -0.0143563400000000, -0.0189088900000000, -0.0233509000000000 ] - [ -0.0059055800000000, 0.0040326300000000, 0.0009195000000000 ] - [ -0.0049882500000000, 0.0041919900000000, 0.0009506800000000 ] - [ -0.0046368700000000, -0.0039812000000000, 0.0015457400000000 ] - [ -0.0046749100000000, -0.0044999400000000, 0.0016063100000000 ] - [ 0.0182974000000000, 0.0211711100000000, 0.0282995300000000 ] - [ 0.0186895100000000, 0.0211498400000000, 0.0283044400000000 ] - [ 0.0193695300000000, -0.0217139900000000, 0.0286139900000000 ] - [ 0.0188567200000000, -0.0212352700000000, 0.0286514400000000 ] - [ 0.0030976700000000, 0.0037599600000000, -0.0001109800000000 ] - [ 0.0033026200000000, 0.0037318200000000, -0.0000769300000000 ] - [ 0.0007618000000000, -0.0035923300000000, -0.0002633400000000 ] - [ 0.0022283100000000, -0.0037784900000000, -0.0004572400000000 ] - [ -0.0597121000000000, 0.0079798000000000, 0.1549989300000000 ] - [ -0.0048357300000000, -0.0004453000000000, -0.0001559000000000 ] - [ -0.0022155200000000, -0.0004531000000000, -0.0034648400000000 ] - [ -0.0016129200000000, 0.0026187400000000, -0.0032085000000000 ] - [ -0.0013016900000000, -0.0012823200000000, -0.0011808100000000 ] - [ -0.0018205800000000, -0.0003493100000000, -0.0013678100000000 ] - [ -0.0060323500000000, 0.0006217200000000, -0.0018639100000000 ] - [ -0.0027152100000000, 0.0008004800000000, -0.0026732300000000 ] - [ 0.0044199500000000, 0.0017879500000000, -0.0101738100000000 ] - [ 0.0036907400000000, 0.0020310300000000, -0.0088797700000000 ] - [ 0.0003455400000000, -0.0053782800000000, 0.0000995900000000 ] - [ 0.0006296200000000, -0.0049466600000000, -0.0030278600000000 ] - [ -0.0001609600000000, -0.0039003900000000, -0.0005874600000000 ] - [ -0.0009417600000000, -0.0037324800000000, -0.0001220400000000 ] - [ 0.0080433300000000, 0.0101322600000000, -0.0063223100000000 ] - [ -0.0012083800000000, 0.0036119600000000, -0.0000055800000000 ] - [ 0.0009526300000000, -0.0017127400000000, 0.0016658300000000 ] - [ 0.0010652700000000, -0.0009933400000000, 0.0017678500000000 ] - [ 0.0007766500000000, -0.0003766100000000, 0.0001021000000000 ] - [ 0.0008530100000000, 0.0016349200000000, 0.0009123500000000 ] - [ 0.0008274800000000, -0.0041786800000000, -0.0005401800000000 ] - [ 0.0006742800000000, -0.0044591700000000, -0.0004741400000000 ] - [ 0.0008951500000000, 0.0032932900000000, 0.0001949600000000 ] - [ 0.0009799000000000, 0.0043938500000000, -0.0003160800000000 ] - [ 0.0033108100000000, 0.0017392900000000, -0.0089685500000000 ] - [ 0.0034023600000000, 0.0026314900000000, -0.0089762500000000 ] - [ 0.0031524200000000, -0.0016991500000000, -0.0074971800000000 ] - [ 0.0035562100000000, -0.0020656700000000, -0.0081519200000000 ] - [ -0.0012450300000000, -0.0033016900000000, -0.0012580100000000 ] - [ -0.0010138600000000, -0.0071974400000000, -0.0056943100000000 ] - [ -0.0014191200000000, 0.0035678900000000, 0.0002808400000000 ] - [ -0.0014869500000000, 0.0040407200000000, 0.0000716500000000 ] - [ 0.0086381500000000, -0.0013712200000000, 0.0017918800000000 ] - [ 0.0019618700000000, -0.0016708800000000, 0.0012987400000000 ] - [ 0.0007537700000000, 0.0012620500000000, -0.0003025100000000 ] - [ 0.0010569500000000, 0.0012436900000000, 0.0009847000000000 ] - [ -0.0052129600000000, -0.0044406000000000, -0.0023331900000000 ] - [ 0.0002988800000000, -0.0043959700000000, -0.0002654700000000 ] - [ -0.0093890800000000, 0.0093599200000000, -0.0022668900000000 ] - [ 0.0006629600000000, 0.0036460700000000, 0.0003537300000000 ]- atom: 57 displacement: [ 0.0099999983939046, 0.0000000000000000, 0.0000056676190151 ] forces: - [ -0.0013326300000000, 0.0028971100000000, 0.0019314600000000 ] - [ -0.0011141500000000, 0.0019626200000000, 0.0019977400000000 ] - [ -0.0023518700000000, -0.0022553200000000, 0.0026764200000000 ] - [ -0.0024766800000000, -0.0022442400000000, 0.0021938200000000 ] - [ -0.0016297000000000, -0.0033057600000000, 0.0016316300000000 ] - [ -0.0016335800000000, -0.0031586800000000, 0.0016909300000000 ] - [ -0.0024067000000000, 0.0025940400000000, 0.0014514100000000 ] - [ -0.0021169600000000, 0.0036299400000000, 0.0013960800000000 ] - [ -0.0101813900000000, 0.0139610700000000, -0.0284188900000000 ] - [ -0.0138589000000000, 0.0186005200000000, -0.0234264500000000 ] - [ -0.0139885400000000, -0.0189317700000000, -0.0230638900000000 ] - [ -0.0136269000000000, -0.0192000800000000, -0.0220749500000000 ] - [ -0.0047353000000000, 0.0042653400000000, 0.0024705900000000 ] - [ -0.0043815200000000, 0.0042896900000000, 0.0014767300000000 ] - [ -0.0054137400000000, -0.0040975900000000, 0.0012217900000000 ] - [ -0.0044850500000000, -0.0043518500000000, 0.0013006200000000 ] - [ 0.0195953800000000, 0.0214855300000000, 0.0288444400000000 ] - [ 0.0189006900000000, 0.0213171100000000, 0.0285144400000000 ] - [ 0.0216275600000000, -0.0191502000000000, 0.0236184900000000 ] - [ 0.0191543600000000, -0.0205544500000000, 0.0282231900000000 ] - [ 0.0187959700000000, -0.0004271000000000, 0.0172489400000000 ] - [ 0.0024995400000000, 0.0037114000000000, -0.0004476700000000 ] - [ 0.0024121500000000, -0.0036691000000000, -0.0004489800000000 ] - [ 0.0022973600000000, -0.0036678900000000, -0.0003731800000000 ] - [ -0.0050009400000000, 0.0024374600000000, 0.0020678700000000 ] - [ -0.0027929100000000, 0.0020955700000000, 0.0019904000000000 ] - [ -0.0025910400000000, -0.0022444100000000, 0.0019168600000000 ] - [ -0.0026540400000000, -0.0021392200000000, 0.0018623200000000 ] - [ -0.0016421100000000, -0.0033230700000000, 0.0001730500000000 ] - [ -0.0016526000000000, -0.0031236200000000, 0.0011283200000000 ] - [ 0.0299093200000000, 0.0096200500000000, -0.0044247600000000 ] - [ -0.0015274700000000, 0.0031637800000000, 0.0011722800000000 ] - [ -0.0147485100000000, 0.0191669500000000, -0.0236433600000000 ] - [ -0.0141004300000000, 0.0188952700000000, -0.0232225600000000 ] - [ -0.0145675400000000, -0.0192088100000000, -0.0237727600000000 ] - [ -0.0140841000000000, -0.0188638900000000, -0.0231724000000000 ] - [ -0.0045363000000000, 0.0036390200000000, 0.0010507700000000 ] - [ -0.0044440400000000, 0.0051632300000000, 0.0008587400000000 ] - [ -0.0037093800000000, -0.0043044600000000, 0.0008035000000000 ] - [ -0.0033635600000000, -0.0054199200000000, 0.0002995000000000 ] - [ 0.0186247400000000, 0.0212307000000000, 0.0285003400000000 ] - [ 0.0180483900000000, 0.0215376000000000, 0.0281632100000000 ] - [ 0.0172134200000000, -0.0213700800000000, 0.0278750900000000 ] - [ 0.0186843800000000, -0.0213748700000000, 0.0284736600000000 ] - [ 0.0018679700000000, 0.0043005900000000, -0.0000801300000000 ] - [ 0.0014187700000000, 0.0022651400000000, -0.0001449400000000 ] - [ 0.0022548100000000, -0.0036144300000000, -0.0014241500000000 ] - [ 0.0023203600000000, -0.0037739300000000, -0.0006103300000000 ] - [ -0.0032039900000000, -0.0012495600000000, -0.0034033900000000 ] - [ -0.0027284500000000, -0.0007618300000000, -0.0024478400000000 ] - [ -0.0046288200000000, 0.0013154200000000, 0.0004044200000000 ] - [ -0.0054531800000000, -0.0001646800000000, -0.0001856700000000 ] - [ -0.0023617500000000, -0.0004085200000000, -0.0020056500000000 ] - [ -0.0023799300000000, -0.0009847900000000, -0.0019147500000000 ] - [ -0.0005419000000000, 0.0002744100000000, -0.0010809300000000 ] - [ -0.0024786500000000, 0.0008680300000000, -0.0022145600000000 ] - [ -0.0529251500000000, -0.0017855800000000, -0.0130990400000000 ] - [ 0.0033476700000000, 0.0021496800000000, -0.0080887100000000 ] - [ 0.0037099900000000, -0.0022387600000000, -0.0087238000000000 ] - [ 0.0036355800000000, -0.0017431200000000, -0.0086851900000000 ] - [ 0.0029293100000000, -0.0026850000000000, 0.0000312500000000 ] - [ -0.0009707200000000, -0.0040039800000000, 0.0000545100000000 ] - [ -0.0017819000000000, 0.0044932200000000, -0.0011271600000000 ] - [ -0.0011198400000000, 0.0039432900000000, -0.0001528200000000 ] - [ 0.0013539900000000, -0.0014468200000000, 0.0006867700000000 ] - [ 0.0018341500000000, -0.0012849200000000, 0.0006182000000000 ] - [ 0.0021175800000000, 0.0028841600000000, -0.0001271400000000 ] - [ 0.0011988200000000, 0.0013366500000000, 0.0010698200000000 ] - [ -0.0002844300000000, -0.0039118800000000, -0.0002197500000000 ] - [ 0.0007192500000000, -0.0087577500000000, 0.0002555500000000 ] - [ -0.0001501600000000, 0.0039223700000000, -0.0000307800000000 ] - [ 0.0004427600000000, 0.0043531000000000, 0.0005661000000000 ] - [ 0.0043143100000000, 0.0019143600000000, -0.0083389300000000 ] - [ 0.0043150100000000, 0.0024070300000000, -0.0082000100000000 ] - [ 0.0043626800000000, -0.0021445800000000, -0.0077903600000000 ] - [ 0.0036545800000000, -0.0019828500000000, -0.0083377100000000 ] - [ -0.0012867500000000, -0.0039934100000000, -0.0000342500000000 ] - [ -0.0020009900000000, 0.0016554200000000, -0.0032748100000000 ] - [ -0.0008926200000000, 0.0041470800000000, 0.0003905500000000 ] - [ -0.0009616000000000, 0.0038940100000000, 0.0001694200000000 ] - [ -0.0015368700000000, 0.0007722700000000, 0.0041716400000000 ] - [ 0.0008761600000000, -0.0017050600000000, 0.0011097600000000 ] - [ 0.0034848800000000, 0.0039817000000000, 0.0066982100000000 ] - [ 0.0012466100000000, 0.0014095400000000, 0.0011944300000000 ] - [ 0.0045355400000000, -0.0073190100000000, -0.0032893600000000 ] - [ 0.0003607100000000, -0.0036013500000000, 0.0001308500000000 ] - [ 0.0003239900000000, 0.0037007300000000, -0.0003260100000000 ] - [ 0.0004475800000000, 0.0042960100000000, 0.0000719100000000 ]- atom: 57 displacement: [ -0.0099999983939046, 0.0000000000000000, -0.0000056676190151 ] forces: - [ -0.0036893800000000, 0.0015082100000000, 0.0022737500000000 ] - [ -0.0039115500000000, 0.0024510100000000, 0.0022010900000000 ] - [ -0.0026792100000000, -0.0021607300000000, 0.0015264200000000 ] - [ -0.0025516800000000, -0.0021705800000000, 0.0020074500000000 ] - [ -0.0016868400000000, -0.0030509500000000, 0.0008514900000000 ] - [ -0.0016830600000000, -0.0031986700000000, 0.0007951900000000 ] - [ -0.0009086400000000, 0.0037663900000000, 0.0010345200000000 ] - [ -0.0011999200000000, 0.0027267400000000, 0.0010894900000000 ] - [ -0.0177615000000000, 0.0239555100000000, -0.0178445800000000 ] - [ -0.0141378800000000, 0.0193040800000000, -0.0228655100000000 ] - [ -0.0140075200000000, -0.0189742700000000, -0.0232323400000000 ] - [ -0.0143707300000000, -0.0187075600000000, -0.0242162600000000 ] - [ -0.0040987300000000, 0.0045034800000000, 0.0001002300000000 ] - [ -0.0044521000000000, 0.0044796600000000, 0.0010972300000000 ] - [ -0.0034114100000000, -0.0046720400000000, 0.0013529400000000 ] - [ -0.0043504100000000, -0.0044167700000000, 0.0012742500000000 ] - [ 0.0180067800000000, 0.0211826900000000, 0.0281420000000000 ] - [ 0.0187019600000000, 0.0213492500000000, 0.0284671800000000 ] - [ 0.0160482600000000, -0.0234029300000000, 0.0332427400000000 ] - [ 0.0184512800000000, -0.0221071800000000, 0.0287567000000000 ] - [ -0.0145268500000000, 0.0078864900000000, -0.0188814000000000 ] - [ 0.0021362500000000, 0.0036137700000000, -0.0005501300000000 ] - [ 0.0022242600000000, -0.0036556500000000, -0.0005500100000000 ] - [ 0.0023377800000000, -0.0036594400000000, -0.0006239200000000 ] - [ -0.0000144400000000, 0.0019761900000000, 0.0021368100000000 ] - [ -0.0022353900000000, 0.0023195500000000, 0.0022119000000000 ] - [ -0.0024370400000000, -0.0021701900000000, 0.0022836500000000 ] - [ -0.0023743100000000, -0.0022752500000000, 0.0023382800000000 ] - [ -0.0016735400000000, -0.0030336700000000, 0.0023097100000000 ] - [ -0.0016640500000000, -0.0032335800000000, 0.0013556000000000 ] - [ -0.0315868700000000, -0.0028482400000000, 0.0065104700000000 ] - [ -0.0017872700000000, 0.0031920400000000, 0.0013137100000000 ] - [ -0.0132456600000000, 0.0187401600000000, -0.0226492200000000 ] - [ -0.0138966700000000, 0.0190099600000000, -0.0230717300000000 ] - [ -0.0134325400000000, -0.0187003500000000, -0.0225261200000000 ] - [ -0.0139127100000000, -0.0190410300000000, -0.0231220700000000 ] - [ -0.0042975800000000, 0.0051306000000000, 0.0015229200000000 ] - [ -0.0043892400000000, 0.0036061800000000, 0.0017145400000000 ] - [ -0.0051253500000000, -0.0044580500000000, 0.0017728100000000 ] - [ -0.0054676800000000, -0.0033545000000000, 0.0022713700000000 ] - [ 0.0189782200000000, 0.0214357200000000, 0.0284813100000000 ] - [ 0.0195520600000000, 0.0211302800000000, 0.0288160600000000 ] - [ 0.0203980900000000, -0.0212985500000000, 0.0291102000000000 ] - [ 0.0189182400000000, -0.0212908700000000, 0.0285077600000000 ] - [ 0.0027700500000000, 0.0030268600000000, -0.0009167100000000 ] - [ 0.0032186800000000, 0.0050617700000000, -0.0008514600000000 ] - [ 0.0023829900000000, -0.0037136000000000, 0.0004232500000000 ] - [ 0.0023168200000000, -0.0035519700000000, -0.0003874400000000 ] - [ -0.0021441100000000, -0.0003106000000000, -0.0011989600000000 ] - [ -0.0026234700000000, -0.0007967600000000, -0.0021540000000000 ] - [ -0.0007355300000000, 0.0002593600000000, -0.0050328500000000 ] - [ 0.0000842400000000, 0.0017148900000000, -0.0044138900000000 ] - [ -0.0029909900000000, -0.0011482300000000, -0.0025944700000000 ] - [ -0.0029728200000000, -0.0005762300000000, -0.0026851200000000 ] - [ -0.0048265900000000, 0.0012931000000000, -0.0035371100000000 ] - [ -0.0028703300000000, 0.0006967200000000, -0.0023864700000000 ] - [ 0.0587210300000000, 0.0051511800000000, -0.0025696100000000 ] - [ 0.0037893000000000, 0.0019195100000000, -0.0087581300000000 ] - [ 0.0034280100000000, -0.0018319200000000, -0.0081236300000000 ] - [ 0.0035028100000000, -0.0023255600000000, -0.0081636100000000 ] - [ -0.0050007700000000, -0.0049741000000000, -0.0000980300000000 ] - [ -0.0010882600000000, -0.0036630800000000, -0.0001027800000000 ] - [ -0.0002840100000000, 0.0031764900000000, 0.0010689600000000 ] - [ -0.0009411100000000, 0.0037219700000000, 0.0001041500000000 ] - [ 0.0008607600000000, -0.0014886800000000, 0.0017028600000000 ] - [ 0.0003816100000000, -0.0016504400000000, 0.0017702900000000 ] - [ 0.0000890900000000, 0.0000312600000000, 0.0025266500000000 ] - [ 0.0010191700000000, 0.0015949900000000, 0.0013196700000000 ] - [ 0.0012786400000000, -0.0045819800000000, 0.0003757200000000 ] - [ 0.0002637800000000, 0.0002697100000000, -0.0001074900000000 ] - [ 0.0011383100000000, 0.0045688600000000, 0.0001892900000000 ] - [ 0.0005433600000000, 0.0041387800000000, -0.0004096200000000 ] - [ 0.0028209600000000, 0.0021534800000000, -0.0085099000000000 ] - [ 0.0028217000000000, 0.0016615100000000, -0.0086499900000000 ] - [ 0.0027746100000000, -0.0019247500000000, -0.0090536000000000 ] - [ 0.0034826300000000, -0.0020874100000000, -0.0085095100000000 ] - [ -0.0007821000000000, -0.0036723100000000, -0.0000104600000000 ] - [ -0.0000537500000000, -0.0093042000000000, 0.0032156100000000 ] - [ -0.0011681200000000, 0.0035173100000000, -0.0004367300000000 ] - [ -0.0010977700000000, 0.0037716700000000, -0.0002166000000000 ] - [ 0.0037526700000000, -0.0037152900000000, -0.0017830700000000 ] - [ 0.0013381900000000, -0.0012304800000000, 0.0012800900000000 ] - [ -0.0012442300000000, -0.0010301000000000, -0.0042931900000000 ] - [ 0.0009679400000000, 0.0015223700000000, 0.0011938300000000 ] - [ -0.0035387300000000, -0.0011622000000000, 0.0034502200000000 ] - [ 0.0006255600000000, -0.0048918500000000, 0.0000247900000000 ] - [ 0.0006646200000000, 0.0047979400000000, 0.0004889700000000 ] - [ 0.0005397400000000, 0.0041951100000000, 0.0000836300000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0018579300000000, -0.0009914600000000, 0.0016406000000000 ] - [ -0.0027597600000000, 0.0005984800000000, 0.0031133800000000 ] - [ -0.0019955400000000, -0.0013953800000000, 0.0013928800000000 ] - [ -0.0026138000000000, -0.0027878300000000, 0.0021020300000000 ] - [ -0.0015353000000000, -0.0034523700000000, 0.0021770800000000 ] - [ -0.0019131700000000, -0.0035383900000000, 0.0000910700000000 ] - [ -0.0028083500000000, 0.0035048400000000, 0.0009982400000000 ] - [ -0.0012203200000000, 0.0027353400000000, 0.0015276400000000 ] - [ -0.0206444700000000, 0.0274207100000000, -0.0158309600000000 ] - [ -0.0140069200000000, 0.0167602200000000, -0.0224391500000000 ] - [ -0.0136174000000000, -0.0197300600000000, -0.0238112300000000 ] - [ -0.0140970500000000, -0.0186400200000000, -0.0227104400000000 ] - [ -0.0044337200000000, 0.0046374900000000, 0.0014579000000000 ] - [ -0.0043847800000000, 0.0040087200000000, 0.0014078100000000 ] - [ -0.0050406500000000, -0.0038890200000000, 0.0013147800000000 ] - [ -0.0043117900000000, -0.0048486300000000, 0.0012132500000000 ] - [ 0.0190059000000000, 0.0222051900000000, 0.0284776800000000 ] - [ 0.0187405300000000, 0.0207212000000000, 0.0284727200000000 ] - [ 0.0217370900000000, -0.0116563100000000, 0.0136746700000000 ] - [ 0.0186150500000000, -0.0243456400000000, 0.0288184400000000 ] - [ -0.0015840100000000, 0.0069706100000000, -0.0053017600000000 ] - [ 0.0019149000000000, 0.0024224100000000, -0.0007509700000000 ] - [ 0.0015903900000000, -0.0037482500000000, -0.0001267200000000 ] - [ 0.0028158400000000, -0.0039375500000000, -0.0007203200000000 ] - [ -0.0031571400000000, 0.0025340600000000, 0.0019979500000000 ] - [ -0.0024221500000000, 0.0018972200000000, 0.0021166100000000 ] - [ -0.0026644000000000, -0.0019970800000000, 0.0022769600000000 ] - [ -0.0025038200000000, -0.0023335300000000, 0.0019402000000000 ] - [ -0.0017260600000000, -0.0028114800000000, 0.0013536200000000 ] - [ -0.0016861500000000, -0.0035144700000000, 0.0011920000000000 ] - [ 0.0047809500000000, 0.0066520400000000, 0.0007181300000000 ] - [ -0.0011302300000000, 0.0019109000000000, 0.0012676900000000 ] - [ -0.0140810100000000, 0.0196847900000000, -0.0233052400000000 ] - [ -0.0139773500000000, 0.0183772100000000, -0.0230604400000000 ] - [ -0.0138091300000000, -0.0182069200000000, -0.0228321500000000 ] - [ -0.0140399300000000, -0.0193510800000000, -0.0231933400000000 ] - [ -0.0049106700000000, 0.0050611900000000, 0.0009509300000000 ] - [ -0.0043000200000000, 0.0042383900000000, 0.0012884100000000 ] - [ -0.0029928100000000, -0.0055835500000000, 0.0020455800000000 ] - [ -0.0059585400000000, -0.0053191000000000, 0.0008001600000000 ] - [ 0.0187917600000000, 0.0212292400000000, 0.0284604000000000 ] - [ 0.0185836600000000, 0.0214136800000000, 0.0284091900000000 ] - [ 0.0183247100000000, -0.0211374600000000, 0.0284562700000000 ] - [ 0.0191160500000000, -0.0217261900000000, 0.0284309500000000 ] - [ 0.0025452000000000, 0.0040277200000000, -0.0003394000000000 ] - [ 0.0022832700000000, 0.0034967500000000, -0.0006353000000000 ] - [ 0.0019948800000000, -0.0025718300000000, -0.0009374700000000 ] - [ 0.0023956800000000, -0.0043713500000000, -0.0003354400000000 ] - [ -0.0029873300000000, -0.0015352900000000, -0.0021564100000000 ] - [ -0.0028938700000000, 0.0003565500000000, -0.0023762600000000 ] - [ -0.0054444500000000, 0.0112476000000000, -0.0067960800000000 ] - [ 0.0012242000000000, 0.0094096800000000, -0.0039571600000000 ] - [ -0.0018425500000000, -0.0013336100000000, -0.0026294900000000 ] - [ -0.0028734900000000, -0.0004848900000000, -0.0020580000000000 ] - [ -0.0024293100000000, 0.0004158800000000, -0.0018551800000000 ] - [ -0.0027217100000000, 0.0014826000000000, -0.0023497300000000 ] - [ 0.0002317900000000, -0.0335537000000000, 0.0085690300000000 ] - [ 0.0036826200000000, 0.0043414400000000, -0.0086875600000000 ] - [ 0.0037733200000000, -0.0026152100000000, -0.0087609300000000 ] - [ 0.0032773500000000, -0.0014708300000000, -0.0081176600000000 ] - [ -0.0017220600000000, -0.0053384400000000, 0.0006669000000000 ] - [ -0.0007278300000000, -0.0032001800000000, -0.0001654700000000 ] - [ 0.0003927100000000, 0.0015698100000000, 0.0040208000000000 ] - [ -0.0012928200000000, 0.0046240600000000, -0.0006278800000000 ] - [ 0.0008530800000000, -0.0012403400000000, 0.0007958000000000 ] - [ 0.0013368800000000, -0.0017076300000000, 0.0015814600000000 ] - [ 0.0054366200000000, 0.0017892900000000, 0.0009513600000000 ] - [ -0.0001068000000000, 0.0029042000000000, 0.0011518700000000 ] - [ 0.0033070200000000, -0.0030134200000000, 0.0014521600000000 ] - [ -0.0014369500000000, -0.0035641400000000, -0.0020766100000000 ] - [ -0.0010610700000000, 0.0034830500000000, -0.0015039900000000 ] - [ 0.0008991000000000, 0.0051263600000000, 0.0007481000000000 ] - [ 0.0039408700000000, 0.0020870000000000, -0.0086931600000000 ] - [ 0.0034483100000000, 0.0020847000000000, -0.0083174300000000 ] - [ 0.0036790900000000, -0.0020607300000000, -0.0083690100000000 ] - [ 0.0035168100000000, -0.0017790000000000, -0.0084424900000000 ] - [ -0.0040877700000000, -0.0023706800000000, 0.0012095400000000 ] - [ 0.0008185500000000, -0.0029674400000000, -0.0011903300000000 ] - [ -0.0007767300000000, 0.0032243300000000, 0.0001394500000000 ] - [ -0.0012403600000000, 0.0042920800000000, -0.0000256100000000 ] - [ 0.0019445900000000, -0.0026049800000000, 0.0009738000000000 ] - [ 0.0009994500000000, -0.0009780300000000, 0.0013287000000000 ] - [ 0.0026219100000000, 0.0012545600000000, 0.0021924800000000 ] - [ 0.0006860900000000, 0.0025351800000000, 0.0008956500000000 ] - [ 0.0015465600000000, -0.0059454000000000, -0.0013787500000000 ] - [ 0.0002108200000000, -0.0036672700000000, 0.0002454800000000 ] - [ 0.0001666100000000, 0.0038422000000000, 0.0001660100000000 ] - [ 0.0005992800000000, 0.0047372100000000, 0.0001916900000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0031674500000000, 0.0053592400000000, 0.0025052000000000 ] - [ -0.0022695500000000, 0.0038119300000000, 0.0010890200000000 ] - [ -0.0030308700000000, -0.0030199400000000, 0.0028052300000000 ] - [ -0.0024137900000000, -0.0016257200000000, 0.0021017300000000 ] - [ -0.0017796900000000, -0.0029088900000000, 0.0003120300000000 ] - [ -0.0014034600000000, -0.0028175500000000, 0.0023921700000000 ] - [ -0.0005015100000000, 0.0028486600000000, 0.0014842700000000 ] - [ -0.0020938500000000, 0.0036241200000000, 0.0009571500000000 ] - [ -0.0075346500000000, 0.0109208800000000, -0.0300532800000000 ] - [ -0.0139877400000000, 0.0211356800000000, -0.0238714600000000 ] - [ -0.0143836900000000, -0.0181722500000000, -0.0224749400000000 ] - [ -0.0138997800000000, -0.0192640200000000, -0.0235850400000000 ] - [ -0.0043989000000000, 0.0041309100000000, 0.0011119000000000 ] - [ -0.0044499600000000, 0.0047594400000000, 0.0011668000000000 ] - [ -0.0037917000000000, -0.0048809400000000, 0.0012596500000000 ] - [ -0.0045223600000000, -0.0039195300000000, 0.0013613100000000 ] - [ 0.0185979600000000, 0.0204552400000000, 0.0285018200000000 ] - [ 0.0188626400000000, 0.0219469700000000, 0.0285096400000000 ] - [ 0.0157463700000000, -0.0312995900000000, 0.0438607400000000 ] - [ 0.0189905800000000, -0.0183067000000000, 0.0281601300000000 ] - [ 0.0063011900000000, 0.0002740400000000, 0.0043727500000000 ] - [ 0.0027271300000000, 0.0049098400000000, -0.0002453700000000 ] - [ 0.0030439000000000, -0.0035822100000000, -0.0008671000000000 ] - [ 0.0018217700000000, -0.0033876000000000, -0.0002765100000000 ] - [ -0.0018681000000000, 0.0018780800000000, 0.0022053100000000 ] - [ -0.0026053800000000, 0.0025180800000000, 0.0020861800000000 ] - [ -0.0023626600000000, -0.0024193200000000, 0.0019250100000000 ] - [ -0.0025233600000000, -0.0020800500000000, 0.0022615100000000 ] - [ -0.0015900600000000, -0.0035482100000000, 0.0011269500000000 ] - [ -0.0016298200000000, -0.0028425900000000, 0.0012931500000000 ] - [ -0.0081434100000000, -0.0003722000000000, 0.0017725500000000 ] - [ -0.0021909700000000, 0.0044536400000000, 0.0012155600000000 ] - [ -0.0139152000000000, 0.0182165200000000, -0.0229896100000000 ] - [ -0.0140196700000000, 0.0195294900000000, -0.0232342700000000 ] - [ -0.0141876500000000, -0.0197035100000000, -0.0234633300000000 ] - [ -0.0139560100000000, -0.0185526800000000, -0.0231000600000000 ] - [ -0.0039171400000000, 0.0037017700000000, 0.0016284200000000 ] - [ -0.0045309900000000, 0.0045336900000000, 0.0012857300000000 ] - [ -0.0058385400000000, -0.0031860100000000, 0.0005136500000000 ] - [ -0.0028775000000000, -0.0034497000000000, 0.0017716100000000 ] - [ 0.0188130300000000, 0.0214365600000000, 0.0285221800000000 ] - [ 0.0190173400000000, 0.0212561700000000, 0.0285702700000000 ] - [ 0.0192819700000000, -0.0215271900000000, 0.0285265800000000 ] - [ 0.0184868800000000, -0.0209410200000000, 0.0285500900000000 ] - [ 0.0020885600000000, 0.0032961300000000, -0.0006569700000000 ] - [ 0.0023540300000000, 0.0038354000000000, -0.0003620800000000 ] - [ 0.0026424500000000, -0.0047544200000000, -0.0000588000000000 ] - [ 0.0022417200000000, -0.0029544800000000, -0.0006632300000000 ] - [ -0.0023585800000000, -0.0000209600000000, -0.0024414600000000 ] - [ -0.0024515900000000, -0.0019211600000000, -0.0022249000000000 ] - [ 0.0000936900000000, -0.0097718900000000, 0.0023415200000000 ] - [ -0.0065844200000000, -0.0077970400000000, -0.0006017800000000 ] - [ -0.0035149300000000, -0.0002222900000000, -0.0019708500000000 ] - [ -0.0024793600000000, -0.0010788400000000, -0.0025423700000000 ] - [ -0.0029194500000000, 0.0011550100000000, -0.0027473200000000 ] - [ -0.0026283200000000, 0.0000828800000000, -0.0022502800000000 ] - [ 0.0071824100000000, 0.0377294600000000, -0.0265341300000000 ] - [ 0.0034519600000000, -0.0002729200000000, -0.0081517800000000 ] - [ 0.0033662600000000, -0.0014508600000000, -0.0080905300000000 ] - [ 0.0038603900000000, -0.0026018500000000, -0.0087307800000000 ] - [ -0.0003301500000000, -0.0023144200000000, -0.0007155300000000 ] - [ -0.0013344300000000, -0.0044696800000000, 0.0001176900000000 ] - [ -0.0024468200000000, 0.0060902500000000, -0.0040587700000000 ] - [ -0.0007650800000000, 0.0030441500000000, 0.0005823900000000 ] - [ 0.0013618700000000, -0.0016942900000000, 0.0015900300000000 ] - [ 0.0008798000000000, -0.0012298700000000, 0.0008087900000000 ] - [ -0.0032159400000000, 0.0011475300000000, 0.0014484300000000 ] - [ 0.0023242200000000, 0.0000281100000000, 0.0012386100000000 ] - [ -0.0023504500000000, -0.0054901200000000, -0.0013090600000000 ] - [ 0.0024059500000000, -0.0049331500000000, 0.0022148100000000 ] - [ 0.0020407800000000, 0.0050140500000000, 0.0016608700000000 ] - [ 0.0000883600000000, 0.0033640800000000, -0.0005929000000000 ] - [ 0.0031951300000000, 0.0019824600000000, -0.0081519500000000 ] - [ 0.0036875500000000, 0.0019802200000000, -0.0085295400000000 ] - [ 0.0034596300000000, -0.0020091400000000, -0.0084774900000000 ] - [ 0.0036215000000000, -0.0022914200000000, -0.0084046200000000 ] - [ 0.0020617900000000, -0.0053111100000000, -0.0012710300000000 ] - [ -0.0028599200000000, -0.0047095100000000, 0.0011375900000000 ] - [ -0.0012806100000000, 0.0044440400000000, -0.0001876300000000 ] - [ -0.0008182200000000, 0.0033720600000000, -0.0000216600000000 ] - [ 0.0002624400000000, -0.0003141600000000, 0.0014267900000000 ] - [ 0.0012150700000000, -0.0019601900000000, 0.0010575300000000 ] - [ -0.0004063600000000, 0.0016724700000000, 0.0001818300000000 ] - [ 0.0015312900000000, 0.0003980900000000, 0.0014973000000000 ] - [ -0.0005642400000000, -0.0025322200000000, 0.0015398500000000 ] - [ 0.0007805300000000, -0.0048298300000000, -0.0000929700000000 ] - [ 0.0008185800000000, 0.0046485700000000, -0.0000123500000000 ] - [ 0.0003875100000000, 0.0037573400000000, -0.0000365700000000 ]- atom: 57 displacement: [ -0.0034429113111456, 0.0000000000000000, 0.0093886293836526 ] forces: - [ -0.0029130500000000, 0.0009199300000000, 0.0041202300000000 ] - [ -0.0029963700000000, 0.0027189800000000, 0.0036838200000000 ] - [ -0.0022651900000000, -0.0018955700000000, 0.0007526200000000 ] - [ -0.0024671600000000, -0.0021859900000000, 0.0018313500000000 ] - [ -0.0016728900000000, -0.0029633700000000, 0.0002333100000000 ] - [ -0.0017704700000000, -0.0032997600000000, 0.0002354700000000 ] - [ -0.0014351000000000, 0.0028597500000000, 0.0020836300000000 ] - [ -0.0015587500000000, 0.0035144000000000, 0.0017453000000000 ] - [ -0.0215966200000000, 0.0280506800000000, -0.0126666600000000 ] - [ -0.0145480100000000, 0.0209478900000000, -0.0216739400000000 ] - [ -0.0138977000000000, -0.0191464000000000, -0.0234492000000000 ] - [ -0.0137931800000000, -0.0185047200000000, -0.0242291900000000 ] - [ -0.0042528800000000, 0.0046028200000000, 0.0006404400000000 ] - [ -0.0044270400000000, 0.0044844900000000, 0.0010423000000000 ] - [ -0.0031911000000000, -0.0047077300000000, 0.0019309600000000 ] - [ -0.0042567500000000, -0.0043549500000000, 0.0014513600000000 ] - [ 0.0193226200000000, 0.0209816500000000, 0.0272211500000000 ] - [ 0.0188684600000000, 0.0213631600000000, 0.0283925400000000 ] - [ 0.0128443700000000, -0.0363334100000000, 0.0544331900000000 ] - [ 0.0182978100000000, -0.0234282700000000, 0.0290943800000000 ] - [ 0.0131743900000000, 0.0005488200000000, 0.0142531500000000 ] - [ 0.0022361200000000, 0.0034832000000000, -0.0002841500000000 ] - [ 0.0031471200000000, -0.0034001600000000, -0.0010989800000000 ] - [ 0.0027239200000000, -0.0037053100000000, -0.0008322400000000 ] - [ -0.0020541800000000, 0.0020774700000000, 0.0026772600000000 ] - [ -0.0024482500000000, 0.0022880100000000, 0.0022694800000000 ] - [ -0.0026139900000000, -0.0022615300000000, 0.0017296600000000 ] - [ -0.0025513100000000, -0.0021670300000000, 0.0018264700000000 ] - [ -0.0015948500000000, -0.0032423200000000, 0.0006407000000000 ] - [ -0.0015437000000000, -0.0030757600000000, 0.0010505700000000 ] - [ -0.0178076400000000, 0.0004719600000000, 0.0052920000000000 ] - [ -0.0016837100000000, 0.0029982500000000, 0.0016425800000000 ] - [ -0.0133830300000000, 0.0187461500000000, -0.0226787000000000 ] - [ -0.0139389700000000, 0.0190065300000000, -0.0229769000000000 ] - [ -0.0144793600000000, -0.0195418400000000, -0.0240128600000000 ] - [ -0.0140317900000000, -0.0187489100000000, -0.0232524100000000 ] - [ -0.0046823900000000, 0.0039179500000000, 0.0009284500000000 ] - [ -0.0043835900000000, 0.0049104200000000, 0.0009798500000000 ] - [ -0.0058730000000000, -0.0032133400000000, 0.0020649100000000 ] - [ -0.0059841000000000, -0.0042954300000000, 0.0019425900000000 ] - [ 0.0186633500000000, 0.0211935600000000, 0.0283862900000000 ] - [ 0.0183885200000000, 0.0216848300000000, 0.0280014800000000 ] - [ 0.0199837100000000, -0.0212309000000000, 0.0291743500000000 ] - [ 0.0186643100000000, -0.0212996100000000, 0.0286579300000000 ] - [ 0.0025468600000000, 0.0031653500000000, -0.0007039300000000 ] - [ 0.0026443700000000, 0.0044217500000000, -0.0006694800000000 ] - [ 0.0013125000000000, -0.0036645100000000, -0.0009274500000000 ] - [ 0.0021099200000000, -0.0035306000000000, -0.0006547700000000 ] - [ -0.0028065500000000, -0.0010117800000000, -0.0002867800000000 ] - [ -0.0027616500000000, -0.0006331800000000, -0.0018316600000000 ] - [ 0.0017134700000000, -0.0060803400000000, -0.0103924000000000 ] - [ 0.0024889800000000, 0.0058680600000000, -0.0068797300000000 ] - [ -0.0024695200000000, -0.0001573400000000, -0.0017343900000000 ] - [ -0.0026185200000000, -0.0011607000000000, -0.0018289600000000 ] - [ -0.0046944600000000, 0.0011271500000000, -0.0041163000000000 ] - [ -0.0029844300000000, 0.0007084500000000, -0.0026880700000000 ] - [ 0.0179962800000000, 0.0198299500000000, -0.0616763800000000 ] - [ 0.0039598900000000, 0.0017438500000000, -0.0098579700000000 ] - [ 0.0032394900000000, -0.0016530800000000, -0.0071770800000000 ] - [ 0.0033013500000000, -0.0024219300000000, -0.0078593900000000 ] - [ 0.0014141900000000, -0.0012975600000000, -0.0007105600000000 ] - [ -0.0009701200000000, -0.0038858200000000, -0.0000508800000000 ] - [ -0.0002309400000000, 0.0038272200000000, 0.0036597900000000 ] - [ -0.0009152300000000, 0.0035562300000000, 0.0005107200000000 ] - [ 0.0012855000000000, -0.0014470000000000, 0.0018524700000000 ] - [ 0.0013519900000000, -0.0018210300000000, 0.0017295000000000 ] - [ -0.0036167100000000, 0.0000703700000000, 0.0009849600000000 ] - [ -0.0000821200000000, 0.0021135500000000, 0.0009443300000000 ] - [ 0.0014552500000000, -0.0038495900000000, 0.0001401000000000 ] - [ 0.0005684800000000, -0.0075236300000000, -0.0006200900000000 ] - [ 0.0020819500000000, 0.0038331700000000, 0.0013755100000000 ] - [ 0.0008302300000000, 0.0042305300000000, 0.0002513500000000 ] - [ 0.0035231000000000, 0.0021749700000000, -0.0086754100000000 ] - [ 0.0033920300000000, 0.0016523600000000, -0.0087239600000000 ] - [ 0.0038886200000000, -0.0020478000000000, -0.0075096400000000 ] - [ 0.0036197100000000, -0.0020353500000000, -0.0081437300000000 ] - [ -0.0016857100000000, -0.0033372700000000, 0.0002707400000000 ] - [ -0.0013577000000000, -0.0072136800000000, 0.0016730600000000 ] - [ -0.0013882900000000, 0.0042031700000000, -0.0000353200000000 ] - [ -0.0012337200000000, 0.0038409100000000, -0.0000103400000000 ] - [ 0.0011141500000000, -0.0005751100000000, 0.0044215500000000 ] - [ 0.0010329000000000, -0.0017035800000000, 0.0012442200000000 ] - [ 0.0018775000000000, 0.0002766800000000, -0.0025252900000000 ] - [ 0.0013065700000000, 0.0009220100000000, 0.0011017400000000 ] - [ -0.0012384400000000, -0.0029244700000000, 0.0020274500000000 ] - [ 0.0006166200000000, -0.0046679900000000, 0.0000758100000000 ] - [ -0.0002105800000000, 0.0043506900000000, 0.0006223400000000 ] - [ 0.0003742100000000, 0.0039583100000000, 0.0001497400000000 ]- atom: 57 displacement: [ 0.0034429113111456, 0.0000000000000000, -0.0093886293836526 ] forces: - [ -0.0021117600000000, 0.0034926400000000, 0.0000709900000000 ] - [ -0.0020315800000000, 0.0016952100000000, 0.0005183400000000 ] - [ -0.0027639200000000, -0.0025234500000000, 0.0034481900000000 ] - [ -0.0025607900000000, -0.0022291600000000, 0.0023704500000000 ] - [ -0.0016429900000000, -0.0033961100000000, 0.0022579700000000 ] - [ -0.0015457900000000, -0.0030572600000000, 0.0022519500000000 ] - [ -0.0018813300000000, 0.0034979100000000, 0.0004022500000000 ] - [ -0.0017574000000000, 0.0028423300000000, 0.0007401400000000 ] - [ -0.0065155600000000, 0.0102890500000000, -0.0333915000000000 ] - [ -0.0134505600000000, 0.0169569400000000, -0.0246259200000000 ] - [ -0.0140996700000000, -0.0187589200000000, -0.0228451100000000 ] - [ -0.0142065400000000, -0.0194058300000000, -0.0220620900000000 ] - [ -0.0045811200000000, 0.0041641900000000, 0.0019304200000000 ] - [ -0.0044065100000000, 0.0042829700000000, 0.0015320300000000 ] - [ -0.0056402300000000, -0.0040602400000000, 0.0006460500000000 ] - [ -0.0045772400000000, -0.0044142200000000, 0.0011231900000000 ] - [ 0.0182783000000000, 0.0216881300000000, 0.0297675400000000 ] - [ 0.0187345600000000, 0.0213030400000000, 0.0285887900000000 ] - [ 0.0246087500000000, -0.0071785000000000, 0.0033907000000000 ] - [ 0.0193072300000000, -0.0192367600000000, 0.0278875800000000 ] - [ -0.0088321200000000, 0.0068343700000000, -0.0153782000000000 ] - [ 0.0024016200000000, 0.0038432100000000, -0.0007133900000000 ] - [ 0.0014871500000000, -0.0039266500000000, 0.0001041300000000 ] - [ 0.0019124000000000, -0.0036217900000000, -0.0001643900000000 ] - [ -0.0029662500000000, 0.0023372600000000, 0.0015262200000000 ] - [ -0.0025793500000000, 0.0021264500000000, 0.0019334500000000 ] - [ -0.0024136400000000, -0.0021528900000000, 0.0024727500000000 ] - [ -0.0024766800000000, -0.0022479900000000, 0.0023753500000000 ] - [ -0.0017202600000000, -0.0031151100000000, 0.0018402400000000 ] - [ -0.0017726200000000, -0.0032819300000000, 0.0014337100000000 ] - [ 0.0148386500000000, 0.0059602000000000, -0.0027611300000000 ] - [ -0.0016321600000000, 0.0033586100000000, 0.0008418500000000 ] - [ -0.0146126000000000, 0.0191616000000000, -0.0236155500000000 ] - [ -0.0140578900000000, 0.0188985500000000, -0.0233173400000000 ] - [ -0.0135182800000000, -0.0183645900000000, -0.0222828800000000 ] - [ -0.0139648100000000, -0.0191570800000000, -0.0230418000000000 ] - [ -0.0041487100000000, 0.0048505100000000, 0.0016454500000000 ] - [ -0.0044493300000000, 0.0038593700000000, 0.0015926600000000 ] - [ -0.0029606200000000, -0.0055552200000000, 0.0005079100000000 ] - [ -0.0028498700000000, -0.0044758500000000, 0.0006308300000000 ] - [ 0.0189413700000000, 0.0214733000000000, 0.0285955700000000 ] - [ 0.0192132600000000, 0.0209823000000000, 0.0289798800000000 ] - [ 0.0176205400000000, -0.0214377900000000, 0.0278068900000000 ] - [ 0.0189395700000000, -0.0213675700000000, 0.0283231900000000 ] - [ 0.0020904100000000, 0.0041619000000000, -0.0002934200000000 ] - [ 0.0019940000000000, 0.0029062700000000, -0.0003280100000000 ] - [ 0.0033226200000000, -0.0036620100000000, -0.0000724200000000 ] - [ 0.0025276300000000, -0.0037968100000000, -0.0003427100000000 ] - [ -0.0025363700000000, -0.0005409700000000, -0.0043164800000000 ] - [ -0.0025870800000000, -0.0009261100000000, -0.0027704100000000 ] - [ -0.0070667500000000, 0.0076762000000000, 0.0057933900000000 ] - [ -0.0078376200000000, -0.0043047800000000, 0.0022734000000000 ] - [ -0.0028824100000000, -0.0014011600000000, -0.0028656300000000 ] - [ -0.0027319800000000, -0.0003989600000000, -0.0027714100000000 ] - [ -0.0006629300000000, 0.0004384900000000, -0.0004913500000000 ] - [ -0.0023656000000000, 0.0008587000000000, -0.0019134300000000 ] - [ -0.0106100700000000, -0.0155298200000000, 0.0438550900000000 ] - [ 0.0031777700000000, 0.0023256600000000, -0.0069890400000000 ] - [ 0.0039017500000000, -0.0024224600000000, -0.0096784400000000 ] - [ 0.0038376200000000, -0.0016454000000000, -0.0089904600000000 ] - [ -0.0034728400000000, -0.0063713700000000, 0.0006610100000000 ] - [ -0.0010889900000000, -0.0037813800000000, 0.0000028700000000 ] - [ -0.0018314000000000, 0.0038529600000000, -0.0036946700000000 ] - [ -0.0011438800000000, 0.0041120900000000, -0.0005580300000000 ] - [ 0.0009284300000000, -0.0014877300000000, 0.0005342000000000 ] - [ 0.0008638100000000, -0.0011132600000000, 0.0006598300000000 ] - [ 0.0058295100000000, 0.0028516100000000, 0.0014113700000000 ] - [ 0.0022985600000000, 0.0008199900000000, 0.0014453700000000 ] - [ -0.0004688000000000, -0.0046435400000000, 0.0000147000000000 ] - [ 0.0004189800000000, -0.0009727700000000, 0.0007762600000000 ] - [ -0.0011008400000000, 0.0046569300000000, -0.0012214600000000 ] - [ 0.0001574200000000, 0.0042620500000000, -0.0000955100000000 ] - [ 0.0036145300000000, 0.0018932400000000, -0.0081729400000000 ] - [ 0.0037454500000000, 0.0024170900000000, -0.0081255000000000 ] - [ 0.0032505000000000, -0.0020216200000000, -0.0093349100000000 ] - [ 0.0035180500000000, -0.0020345500000000, -0.0087038500000000 ] - [ -0.0003736600000000, -0.0043302700000000, -0.0003173600000000 ] - [ -0.0006895600000000, -0.0004434400000000, -0.0017206800000000 ] - [ -0.0006701900000000, 0.0034616000000000, -0.0000114300000000 ] - [ -0.0008249600000000, 0.0038252300000000, -0.0000366500000000 ] - [ 0.0010812500000000, -0.0023600600000000, -0.0020510800000000 ] - [ 0.0011815600000000, -0.0012322900000000, 0.0011449200000000 ] - [ 0.0003333700000000, 0.0026605700000000, 0.0049163700000000 ] - [ 0.0009076300000000, 0.0020137600000000, 0.0012878000000000 ] - [ 0.0022281200000000, -0.0055603300000000, -0.0018671100000000 ] - [ 0.0003709900000000, -0.0038254900000000, 0.0000791600000000 ] - [ 0.0011975500000000, 0.0041443200000000, -0.0004647200000000 ] - [ 0.0006131800000000, 0.0045347200000000, 0.0000060100000000 ]- atom: 61 displacement: [ 0.0099999983939046, 0.0000000000000000, 0.0000056676190151 ] forces: - [ -0.0030235700000000, 0.0029172100000000, 0.0019410400000000 ] - [ -0.0034617000000000, 0.0011090700000000, 0.0014663800000000 ] - [ -0.0027775100000000, -0.0021951200000000, 0.0020901300000000 ] - [ -0.0025566600000000, -0.0022184900000000, 0.0020876700000000 ] - [ -0.0018730400000000, -0.0031697700000000, 0.0011114900000000 ] - [ -0.0017962600000000, -0.0031557800000000, 0.0010221300000000 ] - [ 0.0004055400000000, 0.0006705800000000, 0.0021606000000000 ] - [ -0.0007302300000000, 0.0029506600000000, 0.0010261800000000 ] - [ -0.0145208900000000, 0.0185879200000000, -0.0242199900000000 ] - [ -0.0140095500000000, 0.0190344100000000, -0.0232480000000000 ] - [ -0.0141815200000000, -0.0189316400000000, -0.0231790600000000 ] - [ -0.0146903400000000, -0.0191285500000000, -0.0228355400000000 ] - [ -0.0055508000000000, 0.0045253500000000, 0.0006529200000000 ] - [ -0.0045555700000000, 0.0043222700000000, 0.0011789900000000 ] - [ -0.0030624100000000, -0.0047493500000000, 0.0020941500000000 ] - [ -0.0043070800000000, -0.0044235100000000, 0.0012787400000000 ] - [ 0.0176504100000000, 0.0215912500000000, 0.0290233100000000 ] - [ 0.0186149400000000, 0.0212668500000000, 0.0284523100000000 ] - [ 0.0185392700000000, -0.0208799400000000, 0.0278753300000000 ] - [ 0.0187954800000000, -0.0215143200000000, 0.0283303300000000 ] - [ 0.0312365300000000, 0.0188846300000000, -0.0019386000000000 ] - [ 0.0024721200000000, 0.0036338400000000, -0.0005463700000000 ] - [ 0.0024457700000000, -0.0037194400000000, -0.0003742900000000 ] - [ 0.0024625800000000, -0.0036176400000000, -0.0003959500000000 ] - [ 0.0195763000000000, -0.0148998600000000, -0.0029327300000000 ] - [ -0.0022689500000000, 0.0022853800000000, 0.0021476200000000 ] - [ -0.0020012800000000, -0.0032134000000000, 0.0014982300000000 ] - [ -0.0023120000000000, -0.0020426200000000, 0.0021934000000000 ] - [ -0.0011420700000000, -0.0028798700000000, 0.0022140000000000 ] - [ -0.0015863900000000, -0.0032980100000000, 0.0014088400000000 ] - [ -0.0040257500000000, 0.0032135300000000, 0.0011569000000000 ] - [ -0.0019918900000000, 0.0031396300000000, 0.0013127400000000 ] - [ -0.0138058400000000, 0.0179342000000000, -0.0213647300000000 ] - [ -0.0138249600000000, 0.0191087800000000, -0.0231527400000000 ] - [ -0.0073909500000000, -0.0172643000000000, -0.0099813400000000 ] - [ -0.0138173400000000, -0.0189021600000000, -0.0230952200000000 ] - [ -0.0033511800000000, 0.0051565000000000, 0.0023729500000000 ] - [ -0.0040013100000000, 0.0035584800000000, 0.0018767300000000 ] - [ -0.0047443100000000, -0.0043390300000000, 0.0010785800000000 ] - [ -0.0048250800000000, -0.0042948600000000, 0.0010649600000000 ] - [ 0.0192097500000000, 0.0207932400000000, 0.0285355900000000 ] - [ 0.0195473700000000, 0.0216791100000000, 0.0289127300000000 ] - [ 0.0183889600000000, -0.0206831800000000, 0.0310430000000000 ] - [ 0.0191394400000000, -0.0213395900000000, 0.0283685000000000 ] - [ 0.0014157000000000, 0.0027313700000000, -0.0007180800000000 ] - [ 0.0017469500000000, 0.0044438000000000, -0.0008061800000000 ] - [ 0.0019145500000000, -0.0034425900000000, -0.0009555100000000 ] - [ 0.0022726700000000, -0.0037115500000000, -0.0005651500000000 ] - [ -0.0008783300000000, -0.0005018500000000, -0.0025658900000000 ] - [ -0.0023786500000000, -0.0007492200000000, -0.0022839700000000 ] - [ -0.0022362200000000, 0.0002845800000000, -0.0017233800000000 ] - [ -0.0020254600000000, 0.0011708300000000, -0.0015782500000000 ] - [ -0.0066935600000000, 0.0018272900000000, -0.0037756900000000 ] - [ -0.0038666500000000, -0.0012594700000000, -0.0025079700000000 ] - [ -0.0040335200000000, 0.0014248600000000, -0.0124154000000000 ] - [ -0.0030047600000000, 0.0006916900000000, -0.0022304700000000 ] - [ 0.0075417400000000, 0.0013463400000000, -0.0043713800000000 ] - [ 0.0036271500000000, 0.0023370100000000, -0.0083391000000000 ] - [ 0.0037071500000000, -0.0022867900000000, -0.0087562100000000 ] - [ 0.0036368900000000, -0.0018245600000000, -0.0086166700000000 ] - [ -0.0640683500000000, -0.0018031400000000, -0.0009607300000000 ] - [ -0.0011783800000000, -0.0037473200000000, -0.0001462900000000 ] - [ -0.0006359000000000, 0.0035055900000000, 0.0005785600000000 ] - [ -0.0009418000000000, 0.0038786900000000, 0.0000889300000000 ] - [ 0.0012482100000000, -0.0010020000000000, 0.0016756200000000 ] - [ 0.0010275000000000, -0.0019422700000000, 0.0018058300000000 ] - [ 0.0008486200000000, 0.0012049400000000, 0.0019515200000000 ] - [ 0.0010062100000000, 0.0015490900000000, 0.0012353800000000 ] - [ 0.0004915800000000, -0.0059532300000000, 0.0007073700000000 ] - [ -0.0011587400000000, 0.0014120200000000, 0.0000817700000000 ] - [ 0.0010056500000000, 0.0043827000000000, 0.0005262900000000 ] - [ 0.0005936300000000, 0.0042965000000000, 0.0001521500000000 ] - [ 0.0025933200000000, 0.0038690300000000, -0.0091327200000000 ] - [ 0.0033147100000000, -0.0010399100000000, -0.0092144700000000 ] - [ 0.0028169100000000, -0.0034577000000000, -0.0078421700000000 ] - [ 0.0034787300000000, -0.0017708000000000, -0.0083344500000000 ] - [ 0.0000640400000000, -0.0037881400000000, -0.0001959000000000 ] - [ 0.0000647300000000, -0.0037943300000000, 0.0000010500000000 ] - [ -0.0017221000000000, 0.0036217900000000, -0.0008494000000000 ] - [ -0.0011849900000000, 0.0036920000000000, -0.0002688300000000 ] - [ 0.0040756900000000, -0.0034993000000000, -0.0041945700000000 ] - [ 0.0012671600000000, -0.0011625500000000, 0.0011445000000000 ] - [ 0.0019589700000000, 0.0013720500000000, 0.0014123300000000 ] - [ 0.0011383600000000, 0.0014852300000000, 0.0012502600000000 ] - [ 0.0053311000000000, -0.0031775700000000, 0.0011836500000000 ] - [ 0.0005172400000000, -0.0046349300000000, -0.0000315000000000 ] - [ 0.0004922000000000, 0.0042632900000000, -0.0001877200000000 ] - [ 0.0005120200000000, 0.0042560800000000, 0.0000609300000000 ]- atom: 61 displacement: [ -0.0099999983939046, 0.0000000000000000, -0.0000056676190151 ] forces: - [ -0.0020072200000000, 0.0014997500000000, 0.0022597700000000 ] - [ -0.0015667100000000, 0.0033072200000000, 0.0027365900000000 ] - [ -0.0022499700000000, -0.0022201700000000, 0.0021138100000000 ] - [ -0.0024715700000000, -0.0021958900000000, 0.0021148400000000 ] - [ -0.0014449900000000, -0.0031889100000000, 0.0013723800000000 ] - [ -0.0015204800000000, -0.0032019200000000, 0.0014623700000000 ] - [ -0.0037684700000000, 0.0058647100000000, 0.0001955200000000 ] - [ -0.0025862500000000, 0.0034046000000000, 0.0014583600000000 ] - [ -0.0134780500000000, 0.0193188500000000, -0.0220740600000000 ] - [ -0.0139873000000000, 0.0188720700000000, -0.0230478400000000 ] - [ -0.0138154800000000, -0.0189733100000000, -0.0231138000000000 ] - [ -0.0133050700000000, -0.0187772300000000, -0.0234600200000000 ] - [ -0.0032776800000000, 0.0042411000000000, 0.0019198000000000 ] - [ -0.0042784900000000, 0.0044476500000000, 0.0013946800000000 ] - [ -0.0057707000000000, -0.0040181700000000, 0.0004837700000000 ] - [ -0.0045272800000000, -0.0043455300000000, 0.0012951600000000 ] - [ 0.0199531600000000, 0.0210725900000000, 0.0279589400000000 ] - [ 0.0189878700000000, 0.0214006300000000, 0.0285291400000000 ] - [ 0.0190625100000000, -0.0217871000000000, 0.0291021500000000 ] - [ 0.0188073800000000, -0.0211521500000000, 0.0286505300000000 ] - [ -0.0253448300000000, -0.0107351900000000, 0.0009085300000000 ] - [ 0.0021654500000000, 0.0036932800000000, -0.0004516000000000 ] - [ 0.0021910600000000, -0.0036078500000000, -0.0006222700000000 ] - [ 0.0021743900000000, -0.0037085100000000, -0.0006013500000000 ] - [ -0.0254231800000000, 0.0200455100000000, 0.0075034000000000 ] - [ -0.0027595600000000, 0.0021296000000000, 0.0020549400000000 ] - [ -0.0030217800000000, -0.0012035700000000, 0.0027004500000000 ] - [ -0.0027153700000000, -0.0023715000000000, 0.0020084900000000 ] - [ -0.0021762900000000, -0.0034794900000000, 0.0002742300000000 ] - [ -0.0017301600000000, -0.0030592500000000, 0.0010755400000000 ] - [ 0.0007109400000000, 0.0031432700000000, 0.0013293800000000 ] - [ -0.0013248400000000, 0.0032200600000000, 0.0011713600000000 ] - [ -0.0141922200000000, 0.0199692100000000, -0.0249329100000000 ] - [ -0.0141717000000000, 0.0187975500000000, -0.0231422800000000 ] - [ -0.0205315000000000, -0.0206828900000000, -0.0364168500000000 ] - [ -0.0141792300000000, -0.0190023600000000, -0.0231990500000000 ] - [ -0.0054752200000000, 0.0036139400000000, 0.0002053500000000 ] - [ -0.0048314200000000, 0.0052087300000000, 0.0006976900000000 ] - [ -0.0040902400000000, -0.0044301800000000, 0.0014935400000000 ] - [ -0.0040097500000000, -0.0044732800000000, 0.0015090000000000 ] - [ 0.0183951400000000, 0.0218714800000000, 0.0284452100000000 ] - [ 0.0180591200000000, 0.0209901300000000, 0.0280681000000000 ] - [ 0.0192169700000000, -0.0219799800000000, 0.0259448300000000 ] - [ 0.0184636900000000, -0.0213264900000000, 0.0286119600000000 ] - [ 0.0032246700000000, 0.0045987500000000, -0.0002799100000000 ] - [ 0.0028904200000000, 0.0028853200000000, -0.0001914700000000 ] - [ 0.0027221300000000, -0.0038840500000000, -0.0000435700000000 ] - [ 0.0023642000000000, -0.0036148500000000, -0.0004329100000000 ] - [ -0.0044754300000000, -0.0010554600000000, -0.0020352700000000 ] - [ -0.0029720100000000, -0.0008122400000000, -0.0023181600000000 ] - [ -0.0031145300000000, 0.0012810800000000, -0.0028728500000000 ] - [ -0.0033243700000000, 0.0003946600000000, -0.0030233600000000 ] - [ 0.0013166600000000, -0.0033729800000000, -0.0008153000000000 ] - [ -0.0014889000000000, -0.0003023000000000, -0.0020932400000000 ] - [ -0.0013221100000000, 0.0001547300000000, 0.0078286900000000 ] - [ -0.0023455500000000, 0.0008738500000000, -0.0023707600000000 ] - [ -0.0003833900000000, 0.0027370800000000, -0.0124810900000000 ] - [ 0.0035096100000000, 0.0017306000000000, -0.0085085600000000 ] - [ 0.0034310600000000, -0.0017827300000000, -0.0080923800000000 ] - [ 0.0035004100000000, -0.0022465800000000, -0.0082311100000000 ] - [ 0.0616022200000000, -0.0076158600000000, 0.0008179800000000 ] - [ -0.0008817200000000, -0.0039196700000000, 0.0000973000000000 ] - [ -0.0014229800000000, 0.0041606300000000, -0.0006267500000000 ] - [ -0.0011176000000000, 0.0037873200000000, -0.0001359900000000 ] - [ 0.0009687000000000, -0.0019348800000000, 0.0007093700000000 ] - [ 0.0011882300000000, -0.0009923800000000, 0.0005843200000000 ] - [ 0.0013600400000000, 0.0017328200000000, 0.0004354600000000 ] - [ 0.0012084400000000, 0.0013856500000000, 0.0011549500000000 ] - [ 0.0004896900000000, -0.0025520800000000, -0.0005498300000000 ] - [ 0.0021498200000000, -0.0098945000000000, 0.0000711100000000 ] - [ -0.0000174200000000, 0.0041119300000000, -0.0003664200000000 ] - [ 0.0003935500000000, 0.0041952400000000, 0.0000028800000000 ] - [ 0.0045437800000000, 0.0001917900000000, -0.0077075800000000 ] - [ 0.0038188200000000, 0.0051080900000000, -0.0076321000000000 ] - [ 0.0043171100000000, -0.0006134700000000, -0.0090010500000000 ] - [ 0.0036579300000000, -0.0022991800000000, -0.0085125000000000 ] - [ -0.0021256500000000, -0.0038830800000000, 0.0001467600000000 ] - [ -0.0021247700000000, -0.0038765100000000, -0.0000476400000000 ] - [ -0.0003374400000000, 0.0040428400000000, 0.0008012400000000 ] - [ -0.0008746900000000, 0.0039725900000000, 0.0002207800000000 ] - [ -0.0018304800000000, 0.0005739200000000, 0.0065567200000000 ] - [ 0.0009474000000000, -0.0017734900000000, 0.0012447600000000 ] - [ 0.0002565100000000, 0.0015620800000000, 0.0009738500000000 ] - [ 0.0010760000000000, 0.0014494700000000, 0.0011400300000000 ] - [ -0.0043736500000000, -0.0053000700000000, -0.0010229700000000 ] - [ 0.0004703200000000, -0.0038604900000000, 0.0001861800000000 ] - [ 0.0004951300000000, 0.0042291700000000, 0.0003385100000000 ] - [ 0.0004751300000000, 0.0042362200000000, 0.0000941000000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0018265200000000, 0.0026120100000000, 0.0022425300000000 ] - [ -0.0025484900000000, 0.0016982100000000, 0.0019330200000000 ] - [ -0.0023679300000000, -0.0021141000000000, 0.0020925800000000 ] - [ -0.0025525100000000, -0.0024152100000000, 0.0021778600000000 ] - [ -0.0018680500000000, -0.0031317700000000, 0.0012521700000000 ] - [ -0.0015705000000000, -0.0033593400000000, 0.0013744400000000 ] - [ -0.0041836700000000, 0.0313392100000000, -0.0131373100000000 ] - [ -0.0015878500000000, 0.0021876800000000, 0.0010462500000000 ] - [ -0.0141179600000000, 0.0185566900000000, -0.0238023100000000 ] - [ -0.0135515000000000, 0.0186380200000000, -0.0228490000000000 ] - [ -0.0139944100000000, -0.0191940900000000, -0.0231607500000000 ] - [ -0.0141782000000000, -0.0190972500000000, -0.0228646300000000 ] - [ -0.0040806400000000, 0.0043217200000000, 0.0017756100000000 ] - [ -0.0045173200000000, 0.0041724800000000, 0.0013356900000000 ] - [ -0.0049715400000000, -0.0031430200000000, 0.0004476000000000 ] - [ -0.0043245900000000, -0.0050513600000000, 0.0013096100000000 ] - [ 0.0184532000000000, 0.0221406100000000, 0.0289622000000000 ] - [ 0.0187728700000000, 0.0209266500000000, 0.0284835200000000 ] - [ 0.0193228900000000, -0.0203790100000000, 0.0285668700000000 ] - [ 0.0188778900000000, -0.0218358600000000, 0.0284585400000000 ] - [ 0.0168342100000000, 0.0135394000000000, -0.0013039200000000 ] - [ 0.0025928100000000, 0.0026403000000000, -0.0008555800000000 ] - [ 0.0023623300000000, -0.0033337500000000, 0.0005138000000000 ] - [ 0.0023295000000000, -0.0039190400000000, -0.0004800500000000 ] - [ -0.0187190600000000, 0.0160281200000000, 0.0062546400000000 ] - [ -0.0026954900000000, 0.0013379200000000, 0.0019171200000000 ] - [ -0.0025726600000000, -0.0021498500000000, 0.0017338000000000 ] - [ -0.0027064900000000, -0.0026879200000000, 0.0024797400000000 ] - [ -0.0013130700000000, -0.0024372700000000, 0.0013977500000000 ] - [ -0.0016693900000000, -0.0036176000000000, 0.0012941700000000 ] - [ -0.0013946800000000, 0.0031944100000000, 0.0006730600000000 ] - [ -0.0016672700000000, 0.0029193100000000, 0.0011901900000000 ] - [ -0.0144643900000000, 0.0209458200000000, -0.0238533200000000 ] - [ -0.0140707700000000, 0.0182811500000000, -0.0231118200000000 ] - [ -0.0127872600000000, -0.0166225900000000, -0.0210669300000000 ] - [ -0.0140053200000000, -0.0200101600000000, -0.0231809800000000 ] - [ -0.0035093800000000, 0.0048749900000000, 0.0004515000000000 ] - [ -0.0046469900000000, 0.0036221100000000, 0.0014376900000000 ] - [ -0.0043444900000000, -0.0043562300000000, 0.0014024000000000 ] - [ -0.0043899700000000, -0.0045446300000000, 0.0011110100000000 ] - [ 0.0186257400000000, 0.0207054000000000, 0.0275714100000000 ] - [ 0.0185364900000000, 0.0210391400000000, 0.0288186000000000 ] - [ 0.0188501500000000, -0.0217737000000000, 0.0271360800000000 ] - [ 0.0181637200000000, -0.0220175700000000, 0.0288480400000000 ] - [ 0.0015375500000000, 0.0041155600000000, -0.0004839200000000 ] - [ 0.0024519200000000, 0.0029902500000000, -0.0004888800000000 ] - [ 0.0021371500000000, -0.0029880100000000, -0.0011510500000000 ] - [ 0.0022861400000000, -0.0040721000000000, -0.0004322700000000 ] - [ -0.0031201400000000, -0.0009220700000000, -0.0023930800000000 ] - [ -0.0025749200000000, -0.0003441600000000, -0.0023720500000000 ] - [ -0.0030139000000000, 0.0005234400000000, -0.0027049500000000 ] - [ -0.0026428900000000, 0.0013929400000000, -0.0020693100000000 ] - [ -0.0022168500000000, 0.0013840100000000, 0.0014610800000000 ] - [ -0.0019628400000000, 0.0008910000000000, -0.0026071600000000 ] - [ -0.0022400900000000, -0.0013579100000000, 0.0045421900000000 ] - [ -0.0024559500000000, 0.0019125000000000, -0.0024547600000000 ] - [ 0.0047115500000000, 0.0005244500000000, -0.0053025100000000 ] - [ 0.0033987000000000, 0.0026691200000000, -0.0085416900000000 ] - [ 0.0032545800000000, -0.0026445900000000, -0.0089341200000000 ] - [ 0.0035073000000000, -0.0015750500000000, -0.0084541200000000 ] - [ 0.0018436300000000, -0.0581948300000000, 0.0056559600000000 ] - [ -0.0009430200000000, -0.0029073300000000, -0.0000694500000000 ] - [ -0.0007021400000000, 0.0035359800000000, 0.0000771600000000 ] - [ -0.0010751200000000, 0.0040077500000000, -0.0002891200000000 ] - [ 0.0016996300000000, -0.0011771200000000, 0.0013955300000000 ] - [ 0.0004295400000000, -0.0011493200000000, 0.0009869500000000 ] - [ -0.0004188700000000, -0.0021198500000000, -0.0035916900000000 ] - [ 0.0010609000000000, 0.0021007800000000, 0.0014927700000000 ] - [ -0.0036615000000000, -0.0008607100000000, 0.0023119900000000 ] - [ 0.0013324200000000, -0.0012101600000000, 0.0000979400000000 ] - [ 0.0006486800000000, 0.0040586400000000, 0.0003512300000000 ] - [ 0.0004540600000000, 0.0047534300000000, 0.0000638100000000 ] - [ 0.0090475100000000, 0.0028993000000000, -0.0100139800000000 ] - [ 0.0034066100000000, 0.0035005900000000, -0.0079552800000000 ] - [ 0.0029116200000000, -0.0043009000000000, -0.0086546800000000 ] - [ 0.0034588200000000, -0.0012445800000000, -0.0081705900000000 ] - [ -0.0009884300000000, -0.0033916700000000, 0.0000312900000000 ] - [ -0.0009822800000000, -0.0033914300000000, -0.0002255900000000 ] - [ -0.0008194000000000, 0.0030881900000000, 0.0004040900000000 ] - [ -0.0008880100000000, 0.0043653000000000, -0.0000497900000000 ] - [ 0.0013411700000000, -0.0043216400000000, -0.0012722100000000 ] - [ 0.0010394200000000, -0.0008279400000000, 0.0014836100000000 ] - [ 0.0006316200000000, 0.0013686400000000, 0.0020665700000000 ] - [ 0.0014302400000000, 0.0016488100000000, 0.0012375600000000 ] - [ -0.0015141500000000, -0.0068565100000000, -0.0015860600000000 ] - [ 0.0007057600000000, -0.0035340300000000, 0.0002114000000000 ] - [ 0.0004965800000000, 0.0044941500000000, 0.0004926200000000 ] - [ 0.0004739400000000, 0.0046370400000000, -0.0001183500000000 ]- atom: 61 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0032025300000000, 0.0018036200000000, 0.0019588800000000 ] - [ -0.0024766200000000, 0.0027203100000000, 0.0022720500000000 ] - [ -0.0026589100000000, -0.0023009900000000, 0.0021106800000000 ] - [ -0.0024748800000000, -0.0019996500000000, 0.0020251900000000 ] - [ -0.0014483500000000, -0.0032268300000000, 0.0012327000000000 ] - [ -0.0017428400000000, -0.0029984300000000, 0.0011114600000000 ] - [ 0.0009768800000000, -0.0261246800000000, 0.0164847900000000 ] - [ -0.0017273000000000, 0.0041651400000000, 0.0014362700000000 ] - [ -0.0138784600000000, 0.0193498200000000, -0.0224909800000000 ] - [ -0.0144434800000000, 0.0192672200000000, -0.0234444800000000 ] - [ -0.0140020700000000, -0.0187121500000000, -0.0231327600000000 ] - [ -0.0138171000000000, -0.0188080500000000, -0.0234297100000000 ] - [ -0.0047505400000000, 0.0044463600000000, 0.0007981600000000 ] - [ -0.0043150600000000, 0.0045965600000000, 0.0012384300000000 ] - [ -0.0038615500000000, -0.0056242500000000, 0.0021302900000000 ] - [ -0.0045086400000000, -0.0037203600000000, 0.0012646400000000 ] - [ 0.0191511600000000, 0.0205251200000000, 0.0280201800000000 ] - [ 0.0188306500000000, 0.0217400300000000, 0.0284980200000000 ] - [ 0.0182812800000000, -0.0222886600000000, 0.0284139600000000 ] - [ 0.0187258000000000, -0.0208316800000000, 0.0285231400000000 ] - [ -0.0118657000000000, -0.0061711700000000, 0.0002875600000000 ] - [ 0.0020449300000000, 0.0046821200000000, -0.0001444200000000 ] - [ 0.0022740500000000, -0.0039935600000000, -0.0015091400000000 ] - [ 0.0023080600000000, -0.0034074600000000, -0.0005167600000000 ] - [ 0.0132348200000000, -0.0114762300000000, -0.0019016300000000 ] - [ -0.0023327000000000, 0.0030736400000000, 0.0022839600000000 ] - [ -0.0024508800000000, -0.0022705500000000, 0.0024624200000000 ] - [ -0.0023235500000000, -0.0017311000000000, 0.0017288200000000 ] - [ -0.0020034600000000, -0.0039199500000000, 0.0010872300000000 ] - [ -0.0016477000000000, -0.0027406200000000, 0.0011915900000000 ] - [ -0.0019208300000000, 0.0031621300000000, 0.0018124300000000 ] - [ -0.0016489000000000, 0.0034383800000000, 0.0012946400000000 ] - [ -0.0135315300000000, 0.0169599500000000, -0.0224449200000000 ] - [ -0.0139259200000000, 0.0196241000000000, -0.0231814800000000 ] - [ -0.0151674900000000, -0.0212194900000000, -0.0251227000000000 ] - [ -0.0139926700000000, -0.0179009900000000, -0.0231127000000000 ] - [ -0.0053193900000000, 0.0038894700000000, 0.0021259700000000 ] - [ -0.0041895900000000, 0.0051444800000000, 0.0011357700000000 ] - [ -0.0044891400000000, -0.0044124800000000, 0.0011711500000000 ] - [ -0.0044433800000000, -0.0042239100000000, 0.0014638600000000 ] - [ 0.0189780200000000, 0.0219602300000000, 0.0294186000000000 ] - [ 0.0190596200000000, 0.0216228300000000, 0.0281631700000000 ] - [ 0.0187533100000000, -0.0208931900000000, 0.0298532300000000 ] - [ 0.0194381500000000, -0.0206516400000000, 0.0281356300000000 ] - [ 0.0031018000000000, 0.0032099600000000, -0.0005130200000000 ] - [ 0.0021862500000000, 0.0043392800000000, -0.0005103600000000 ] - [ 0.0025003700000000, -0.0043374800000000, 0.0001539700000000 ] - [ 0.0023519300000000, -0.0032555000000000, -0.0005634200000000 ] - [ -0.0022309600000000, -0.0006357200000000, -0.0022090400000000 ] - [ -0.0027758700000000, -0.0012158300000000, -0.0022300200000000 ] - [ -0.0023369300000000, 0.0010415100000000, -0.0018930700000000 ] - [ -0.0027076400000000, 0.0001735300000000, -0.0025334500000000 ] - [ -0.0031449900000000, -0.0029306300000000, -0.0060923600000000 ] - [ -0.0033723000000000, -0.0024327700000000, -0.0020009600000000 ] - [ -0.0031063200000000, 0.0029232200000000, -0.0091483700000000 ] - [ -0.0028923300000000, -0.0003430100000000, -0.0021456000000000 ] - [ 0.0024258400000000, 0.0035479600000000, -0.0115448200000000 ] - [ 0.0037392700000000, 0.0013994900000000, -0.0083056200000000 ] - [ 0.0038838700000000, -0.0014252000000000, -0.0079136700000000 ] - [ 0.0036297400000000, -0.0024954200000000, -0.0083926100000000 ] - [ -0.0039639500000000, 0.0514635900000000, -0.0068064500000000 ] - [ -0.0011156500000000, -0.0047554300000000, 0.0000229300000000 ] - [ -0.0013571600000000, 0.0041289800000000, -0.0001255000000000 ] - [ -0.0009842700000000, 0.0036587500000000, 0.0002407200000000 ] - [ 0.0005138700000000, -0.0017574800000000, 0.0009916200000000 ] - [ 0.0017747500000000, -0.0017859900000000, 0.0014050400000000 ] - [ 0.0026359500000000, 0.0050554000000000, 0.0059826800000000 ] - [ 0.0011547200000000, 0.0008361500000000, 0.0008994100000000 ] - [ 0.0046659600000000, -0.0076623200000000, -0.0021456200000000 ] - [ -0.0003174600000000, -0.0072723700000000, 0.0000600500000000 ] - [ 0.0003402400000000, 0.0044338800000000, -0.0001926800000000 ] - [ 0.0005323100000000, 0.0037397100000000, 0.0000902500000000 ] - [ -0.0019138900000000, 0.0011570400000000, -0.0068226400000000 ] - [ 0.0037282100000000, 0.0005598500000000, -0.0088950000000000 ] - [ 0.0042280400000000, 0.0002194400000000, -0.0081995600000000 ] - [ 0.0036805200000000, -0.0028250700000000, -0.0086812800000000 ] - [ -0.0010706600000000, -0.0042772400000000, -0.0000787900000000 ] - [ -0.0010775500000000, -0.0042768600000000, 0.0001781200000000 ] - [ -0.0012400300000000, 0.0045768000000000, -0.0004509900000000 ] - [ -0.0011686900000000, 0.0033013800000000, 0.0000010100000000 ] - [ 0.0008683500000000, 0.0013904700000000, 0.0036670700000000 ] - [ 0.0011763200000000, -0.0021068100000000, 0.0009070700000000 ] - [ 0.0015847800000000, 0.0015666200000000, 0.0003221400000000 ] - [ 0.0007861200000000, 0.0012867000000000, 0.0011520800000000 ] - [ 0.0025042600000000, -0.0016353200000000, 0.0017397000000000 ] - [ 0.0002825800000000, -0.0049602300000000, -0.0000553500000000 ] - [ 0.0004908000000000, 0.0039977700000000, -0.0003390600000000 ] - [ 0.0005142300000000, 0.0038557600000000, 0.0002722800000000 ]- atom: 61 displacement: [ -0.0034429113111456, 0.0000000000000000, 0.0093886293836526 ] forces: - [ -0.0029135800000000, 0.0020257300000000, 0.0024081000000000 ] - [ -0.0021105100000000, 0.0026860800000000, 0.0023880200000000 ] - [ -0.0025629900000000, -0.0022010500000000, 0.0015977100000000 ] - [ -0.0026155600000000, -0.0022795500000000, 0.0019898900000000 ] - [ -0.0022742900000000, -0.0035636600000000, 0.0009317900000000 ] - [ -0.0018398700000000, -0.0031181600000000, 0.0012943700000000 ] - [ -0.0015428200000000, -0.0112664300000000, 0.0117460500000000 ] - [ -0.0021659400000000, 0.0031561400000000, 0.0015818100000000 ] - [ -0.0138187000000000, 0.0191281300000000, -0.0226196300000000 ] - [ -0.0142073800000000, 0.0191138700000000, -0.0233984600000000 ] - [ -0.0139765000000000, -0.0190822000000000, -0.0231161500000000 ] - [ -0.0140318800000000, -0.0188274400000000, -0.0232110700000000 ] - [ -0.0041585400000000, 0.0041493500000000, 0.0017913800000000 ] - [ -0.0044572900000000, 0.0041995500000000, 0.0014359100000000 ] - [ -0.0040899600000000, -0.0049981600000000, -0.0013881100000000 ] - [ -0.0044556400000000, -0.0042115000000000, 0.0011548400000000 ] - [ 0.0191320300000000, 0.0214045300000000, 0.0283348300000000 ] - [ 0.0188231200000000, 0.0213148900000000, 0.0285291900000000 ] - [ 0.0181484700000000, -0.0213817100000000, 0.0284573900000000 ] - [ 0.0187401700000000, -0.0212412000000000, 0.0285205900000000 ] - [ -0.0082577200000000, -0.0016775100000000, 0.0015806000000000 ] - [ 0.0020453600000000, 0.0041023600000000, 0.0000768900000000 ] - [ 0.0023238100000000, -0.0034157100000000, -0.0012345700000000 ] - [ 0.0022901000000000, -0.0038958900000000, -0.0008596900000000 ] - [ -0.0142705800000000, 0.0123318100000000, 0.0055378800000000 ] - [ -0.0023555100000000, 0.0025382400000000, 0.0022950200000000 ] - [ -0.0016791300000000, -0.0032382300000000, 0.0001017900000000 ] - [ -0.0024264700000000, -0.0020365000000000, 0.0017539000000000 ] - [ -0.0004720300000000, -0.0027709500000000, -0.0002844800000000 ] - [ -0.0014309200000000, -0.0032271400000000, 0.0009934300000000 ] - [ 0.0000348500000000, 0.0031530600000000, 0.0011600800000000 ] - [ -0.0015293000000000, 0.0032083100000000, 0.0012213800000000 ] - [ -0.0133047200000000, 0.0195344400000000, -0.0248256000000000 ] - [ -0.0140368800000000, 0.0188980200000000, -0.0232039000000000 ] - [ -0.0037431100000000, -0.0171793400000000, -0.0034402600000000 ] - [ -0.0138832700000000, -0.0187031900000000, -0.0232392500000000 ] - [ -0.0029426800000000, 0.0029044100000000, 0.0014511200000000 ] - [ -0.0042590100000000, 0.0048381100000000, 0.0011988900000000 ] - [ -0.0045683600000000, -0.0044533800000000, 0.0011278500000000 ] - [ -0.0043050800000000, -0.0043890700000000, 0.0012338500000000 ] - [ 0.0189181400000000, 0.0197178500000000, 0.0286444700000000 ] - [ 0.0188335200000000, 0.0222615400000000, 0.0282853000000000 ] - [ 0.0194785400000000, -0.0216505600000000, 0.0274634700000000 ] - [ 0.0190956700000000, -0.0211233700000000, 0.0282848900000000 ] - [ 0.0028758400000000, 0.0042155300000000, 0.0002368600000000 ] - [ 0.0026506000000000, 0.0030758800000000, -0.0000413700000000 ] - [ 0.0020374700000000, -0.0031151400000000, -0.0016985300000000 ] - [ 0.0022494700000000, -0.0037300300000000, -0.0007499400000000 ] - [ -0.0030545600000000, -0.0007575200000000, -0.0015544400000000 ] - [ -0.0025896200000000, -0.0006158400000000, -0.0021399500000000 ] - [ -0.0021951900000000, 0.0006771000000000, -0.0025708500000000 ] - [ -0.0028559900000000, 0.0006571100000000, -0.0026279500000000 ] - [ -0.0066722100000000, 0.0081528000000000, 0.0018965900000000 ] - [ -0.0033867000000000, -0.0014951300000000, -0.0014072500000000 ] - [ -0.0070404700000000, 0.0025634300000000, 0.0057120300000000 ] - [ -0.0027097700000000, 0.0005906900000000, -0.0023977100000000 ] - [ 0.0022661000000000, 0.0029233700000000, -0.0104880700000000 ] - [ 0.0036228900000000, 0.0017971900000000, -0.0084528100000000 ] - [ 0.0039103300000000, -0.0021020500000000, -0.0081789800000000 ] - [ 0.0037271200000000, -0.0021057400000000, -0.0082772900000000 ] - [ 0.0201276600000000, 0.0011090400000000, -0.0470164100000000 ] - [ -0.0010926100000000, -0.0039062100000000, -0.0004720100000000 ] - [ -0.0005975600000000, 0.0038509000000000, -0.0002154300000000 ] - [ -0.0009542300000000, 0.0040662500000000, 0.0003737300000000 ] - [ 0.0023653200000000, -0.0005955000000000, 0.0005395200000000 ] - [ 0.0018578100000000, -0.0014565100000000, 0.0006069600000000 ] - [ 0.0025842600000000, 0.0004673400000000, 0.0047178800000000 ] - [ 0.0012549000000000, 0.0013798300000000, 0.0012110800000000 ] - [ 0.0025806600000000, -0.0040185400000000, -0.0035316900000000 ] - [ 0.0009859200000000, -0.0063505600000000, -0.0001630000000000 ] - [ 0.0012379900000000, 0.0044482400000000, 0.0016870400000000 ] - [ 0.0005608500000000, 0.0042487300000000, 0.0002071600000000 ] - [ 0.0008585700000000, 0.0003013000000000, -0.0075988200000000 ] - [ 0.0036442600000000, 0.0042548800000000, -0.0078628500000000 ] - [ 0.0027898400000000, -0.0053387700000000, -0.0053341200000000 ] - [ 0.0034788400000000, -0.0015572900000000, -0.0079655500000000 ] - [ -0.0013832500000000, -0.0040394100000000, -0.0000892200000000 ] - [ -0.0015672200000000, -0.0037969800000000, -0.0001567200000000 ] - [ -0.0015682900000000, 0.0035011000000000, 0.0015992000000000 ] - [ -0.0012064200000000, 0.0039053300000000, 0.0003180800000000 ] - [ -0.0022254000000000, -0.0022258600000000, 0.0030694200000000 ] - [ 0.0010600200000000, -0.0016743400000000, 0.0009178800000000 ] - [ 0.0000541200000000, 0.0013124300000000, 0.0017681400000000 ] - [ 0.0008817300000000, 0.0014544500000000, 0.0013951000000000 ] - [ -0.0024915400000000, -0.0056160800000000, -0.0016466500000000 ] - [ 0.0003490300000000, -0.0039675500000000, -0.0001104600000000 ] - [ -0.0000181500000000, 0.0047134600000000, 0.0023643900000000 ] - [ 0.0004200500000000, 0.0040641400000000, 0.0003755200000000 ]- atom: 61 displacement: [ 0.0034429113111456, 0.0000000000000000, -0.0093886293836526 ] forces: - [ -0.0021128300000000, 0.0023874700000000, 0.0017936600000000 ] - [ -0.0029164500000000, 0.0017296400000000, 0.0018158200000000 ] - [ -0.0024666400000000, -0.0022146500000000, 0.0025992600000000 ] - [ -0.0024122800000000, -0.0021353900000000, 0.0022126800000000 ] - [ -0.0010423000000000, -0.0027944700000000, 0.0015529100000000 ] - [ -0.0014760100000000, -0.0032399100000000, 0.0011900500000000 ] - [ -0.0016933500000000, 0.0173104100000000, -0.0091849600000000 ] - [ -0.0011491000000000, 0.0032011000000000, 0.0009031200000000 ] - [ -0.0141788400000000, 0.0187772200000000, -0.0236743400000000 ] - [ -0.0137873400000000, 0.0187914300000000, -0.0228951800000000 ] - [ -0.0140207400000000, -0.0188232900000000, -0.0231780600000000 ] - [ -0.0139632000000000, -0.0190788200000000, -0.0230851400000000 ] - [ -0.0046723800000000, 0.0046177000000000, 0.0007820400000000 ] - [ -0.0043758300000000, 0.0045696600000000, 0.0011373900000000 ] - [ -0.0047279300000000, -0.0037693900000000, 0.0039548700000000 ] - [ -0.0043773300000000, -0.0045588600000000, 0.0014197300000000 ] - [ 0.0184721600000000, 0.0212604900000000, 0.0286450000000000 ] - [ 0.0187805900000000, 0.0213519000000000, 0.0284519600000000 ] - [ 0.0194529900000000, -0.0212840000000000, 0.0285255200000000 ] - [ 0.0188637700000000, -0.0214265300000000, 0.0284608200000000 ] - [ 0.0129361300000000, 0.0090446000000000, -0.0024586900000000 ] - [ 0.0025918300000000, 0.0032246900000000, -0.0010754900000000 ] - [ 0.0023130900000000, -0.0039082200000000, 0.0002402400000000 ] - [ 0.0023476200000000, -0.0034337400000000, -0.0001385400000000 ] - [ 0.0089191400000000, -0.0076345400000000, -0.0013413000000000 ] - [ -0.0026719800000000, 0.0018749600000000, 0.0019065100000000 ] - [ -0.0033401100000000, -0.0011855800000000, 0.0040903700000000 ] - [ -0.0026007500000000, -0.0023791900000000, 0.0024494700000000 ] - [ -0.0028443300000000, -0.0035886100000000, 0.0027696800000000 ] - [ -0.0018846700000000, -0.0031306500000000, 0.0014912600000000 ] - [ -0.0033505000000000, 0.0032046000000000, 0.0013252900000000 ] - [ -0.0017867900000000, 0.0031489000000000, 0.0012632500000000 ] - [ -0.0146865400000000, 0.0183695700000000, -0.0214672000000000 ] - [ -0.0139592800000000, 0.0190067300000000, -0.0230903000000000 ] - [ -0.0247017400000000, -0.0209234900000000, -0.0436800800000000 ] - [ -0.0141137400000000, -0.0192038900000000, -0.0230547500000000 ] - [ -0.0058868400000000, 0.0058678800000000, 0.0011233600000000 ] - [ -0.0045746400000000, 0.0039307100000000, 0.0013741600000000 ] - [ -0.0042651000000000, -0.0043148100000000, 0.0014463000000000 ] - [ -0.0045287800000000, -0.0043797500000000, 0.0013402800000000 ] - [ 0.0186876500000000, 0.0229517300000000, 0.0283403800000000 ] - [ 0.0187685600000000, 0.0204002300000000, 0.0286993700000000 ] - [ 0.0181300000000000, -0.0210133700000000, 0.0295351300000000 ] - [ 0.0185059200000000, -0.0215461200000000, 0.0286986800000000 ] - [ 0.0017608300000000, 0.0031103800000000, -0.0012348000000000 ] - [ 0.0019867500000000, 0.0042513300000000, -0.0009573200000000 ] - [ 0.0025984900000000, -0.0042098600000000, 0.0006965500000000 ] - [ 0.0023881200000000, -0.0035973600000000, -0.0002468500000000 ] - [ -0.0022973800000000, -0.0007992000000000, -0.0030425700000000 ] - [ -0.0027603500000000, -0.0009446300000000, -0.0024622300000000 ] - [ -0.0031557700000000, 0.0008872500000000, -0.0020315800000000 ] - [ -0.0024932600000000, 0.0009108500000000, -0.0019747600000000 ] - [ 0.0012957100000000, -0.0097364300000000, -0.0065502100000000 ] - [ -0.0019603400000000, -0.0000610700000000, -0.0031971800000000 ] - [ 0.0015965400000000, -0.0009519400000000, -0.0102736000000000 ] - [ -0.0026397100000000, 0.0009784400000000, -0.0022036100000000 ] - [ 0.0048723800000000, 0.0011465200000000, -0.0063685400000000 ] - [ 0.0035156900000000, 0.0022717900000000, -0.0083947200000000 ] - [ 0.0032287500000000, -0.0019687200000000, -0.0086684900000000 ] - [ 0.0034116800000000, -0.0019644900000000, -0.0085691900000000 ] - [ -0.0214969100000000, -0.0085732100000000, 0.0476262800000000 ] - [ -0.0009667000000000, -0.0037606900000000, 0.0004252400000000 ] - [ -0.0014585100000000, 0.0038154300000000, 0.0001668300000000 ] - [ -0.0011044200000000, 0.0035998200000000, -0.0004222700000000 ] - [ -0.0001509200000000, -0.0023392200000000, 0.0018502300000000 ] - [ 0.0003551000000000, -0.0014787000000000, 0.0017833800000000 ] - [ -0.0003558200000000, 0.0024364600000000, -0.0023170200000000 ] - [ 0.0009604000000000, 0.0015570500000000, 0.0011770000000000 ] - [ -0.0015957200000000, -0.0044710900000000, 0.0036966800000000 ] - [ 0.0000049800000000, -0.0021504900000000, 0.0003174100000000 ] - [ -0.0002479500000000, 0.0040457900000000, -0.0015269800000000 ] - [ 0.0004268700000000, 0.0042441700000000, -0.0000524500000000 ] - [ 0.0062828100000000, 0.0037534600000000, -0.0092486400000000 ] - [ 0.0034934000000000, -0.0001911600000000, -0.0089875600000000 ] - [ 0.0043394700000000, 0.0012692200000000, -0.0115334200000000 ] - [ 0.0036594300000000, -0.0025120000000000, -0.0088844100000000 ] - [ -0.0006754300000000, -0.0036275800000000, 0.0000426600000000 ] - [ -0.0004919100000000, -0.0038718800000000, 0.0001101500000000 ] - [ -0.0004936000000000, 0.0041587700000000, -0.0016466400000000 ] - [ -0.0008533600000000, 0.0037607500000000, -0.0003665800000000 ] - [ 0.0044747400000000, -0.0006988900000000, -0.0006856700000000 ] - [ 0.0011552200000000, -0.0012618000000000, 0.0014714600000000 ] - [ 0.0021608300000000, 0.0016215400000000, 0.0006198400000000 ] - [ 0.0013348300000000, 0.0014806400000000, 0.0009945700000000 ] - [ 0.0034813900000000, -0.0028750300000000, 0.0018039700000000 ] - [ 0.0006392200000000, -0.0045262200000000, 0.0002663300000000 ] - [ 0.0010058300000000, 0.0037900700000000, -0.0021938700000000 ] - [ 0.0005674700000000, 0.0044275700000000, -0.0002219600000000 ]- atom: 65 displacement: [ 0.0099999983939046, 0.0000000000000000, 0.0000056676190151 ] forces: - [ -0.0029206900000000, 0.0022727000000000, 0.0020245500000000 ] - [ -0.0026909400000000, 0.0022666300000000, 0.0020713000000000 ] - [ -0.0026540800000000, -0.0020700900000000, 0.0019876300000000 ] - [ -0.0031693400000000, -0.0025955900000000, 0.0014774600000000 ] - [ 0.0055301900000000, -0.0072659100000000, 0.0124571900000000 ] - [ -0.0014806600000000, -0.0032666500000000, 0.0010991600000000 ] - [ -0.0013730000000000, 0.0028427100000000, 0.0002701000000000 ] - [ -0.0016026200000000, 0.0032582600000000, 0.0010600000000000 ] - [ -0.0140072000000000, 0.0189878100000000, -0.0231884600000000 ] - [ -0.0141353900000000, 0.0187716900000000, -0.0236281100000000 ] - [ -0.0155678700000000, -0.0192790400000000, -0.0233913600000000 ] - [ -0.0139489100000000, -0.0189234200000000, -0.0232056400000000 ] - [ -0.0042766900000000, 0.0048421300000000, 0.0012408700000000 ] - [ -0.0042613300000000, 0.0087624100000000, 0.0024259500000000 ] - [ -0.0043947900000000, -0.0044631800000000, 0.0012244000000000 ] - [ -0.0045559900000000, -0.0044754000000000, 0.0012258700000000 ] - [ 0.0179807200000000, 0.0216604600000000, 0.0284545800000000 ] - [ 0.0183039100000000, 0.0209704100000000, 0.0284386200000000 ] - [ 0.0184948300000000, -0.0210804300000000, 0.0280898400000000 ] - [ 0.0187737500000000, -0.0213681400000000, 0.0284569400000000 ] - [ 0.0018770100000000, 0.0034243600000000, -0.0008466600000000 ] - [ 0.0012424800000000, 0.0042240900000000, -0.0012304800000000 ] - [ 0.0019183600000000, -0.0035311100000000, -0.0006883400000000 ] - [ 0.0020678400000000, -0.0036587800000000, -0.0005575300000000 ] - [ -0.0020006600000000, 0.0024225200000000, 0.0020193600000000 ] - [ -0.0022015800000000, 0.0018278400000000, 0.0020509300000000 ] - [ -0.0029680600000000, -0.0038123200000000, 0.0042801000000000 ] - [ -0.0024865200000000, -0.0021689200000000, 0.0022898600000000 ] - [ -0.0022338200000000, -0.0035537200000000, 0.0017575600000000 ] - [ -0.0027418800000000, -0.0026282700000000, 0.0019047000000000 ] - [ -0.0018728400000000, 0.0034914900000000, 0.0013599700000000 ] - [ -0.0019977300000000, 0.0028514100000000, 0.0018462600000000 ] - [ -0.0137588200000000, 0.0192457800000000, -0.0220584700000000 ] - [ -0.0139615800000000, 0.0190700700000000, -0.0232651200000000 ] - [ -0.0150925900000000, -0.0217462100000000, -0.0226281400000000 ] - [ -0.0142746000000000, -0.0177865500000000, -0.0231485400000000 ] - [ -0.0068705200000000, 0.0022816500000000, 0.0013668200000000 ] - [ -0.0046161300000000, 0.0043892900000000, 0.0012435800000000 ] - [ -0.0040523000000000, -0.0043917200000000, 0.0009599300000000 ] - [ -0.0043912900000000, -0.0042972800000000, 0.0013713100000000 ] - [ 0.0518104700000000, 0.0109689500000000, 0.0354542100000000 ] - [ 0.0187566200000000, 0.0210778900000000, 0.0284964500000000 ] - [ 0.0188784300000000, -0.0212605600000000, 0.0284844900000000 ] - [ 0.0190103600000000, -0.0215577800000000, 0.0286921100000000 ] - [ 0.0087677000000000, -0.0012925100000000, -0.0115976500000000 ] - [ 0.0025263200000000, 0.0033096700000000, -0.0002463500000000 ] - [ 0.0028302700000000, -0.0036072300000000, -0.0002393300000000 ] - [ 0.0028923500000000, -0.0035816100000000, 0.0001598200000000 ] - [ -0.0028710200000000, -0.0010934200000000, -0.0022073600000000 ] - [ 0.0014001700000000, 0.0028386900000000, -0.0007751100000000 ] - [ -0.0026082700000000, 0.0007332800000000, -0.0018933900000000 ] - [ -0.0027345600000000, 0.0007901100000000, -0.0022680000000000 ] - [ 0.0055220600000000, 0.0075148800000000, -0.0073395900000000 ] - [ -0.0016725400000000, -0.0011192700000000, -0.0028437500000000 ] - [ -0.0028225200000000, 0.0005463500000000, -0.0020815600000000 ] - [ -0.0023323600000000, 0.0011191200000000, -0.0018195000000000 ] - [ 0.0038163900000000, 0.0017800400000000, -0.0081425100000000 ] - [ 0.0042943100000000, 0.0022633000000000, -0.0078979100000000 ] - [ 0.0059302700000000, -0.0035397600000000, -0.0067474500000000 ] - [ 0.0037091200000000, -0.0016113800000000, -0.0081598300000000 ] - [ -0.0008886200000000, -0.0032396000000000, 0.0013695400000000 ] - [ -0.0011087700000000, -0.0045054200000000, 0.0007471400000000 ] - [ -0.0011301900000000, 0.0038802200000000, 0.0000962300000000 ] - [ -0.0012842400000000, 0.0053667300000000, 0.0014524300000000 ] - [ -0.0562815200000000, 0.0093988300000000, -0.0024974600000000 ] - [ 0.0005100800000000, -0.0014652600000000, 0.0012334500000000 ] - [ 0.0015010200000000, 0.0016312800000000, 0.0016241200000000 ] - [ 0.0012024900000000, 0.0015491700000000, 0.0013098100000000 ] - [ 0.0028627200000000, -0.0035983600000000, 0.0023721800000000 ] - [ 0.0006185000000000, -0.0041250500000000, 0.0001944600000000 ] - [ -0.0027438600000000, 0.0035685500000000, -0.0000391500000000 ] - [ 0.0002425100000000, 0.0040925600000000, 0.0000975900000000 ] - [ 0.0009262600000000, 0.0028732200000000, -0.0093732100000000 ] - [ 0.0033383300000000, 0.0019270100000000, -0.0085880900000000 ] - [ 0.0036606900000000, -0.0008169000000000, -0.0096601400000000 ] - [ 0.0045931100000000, -0.0063681000000000, -0.0130859700000000 ] - [ 0.0019159300000000, -0.0035979000000000, -0.0024902500000000 ] - [ -0.0008686400000000, -0.0039021100000000, -0.0000153200000000 ] - [ -0.0001751100000000, 0.0043100200000000, -0.0008328800000000 ] - [ -0.0009970300000000, 0.0035109100000000, -0.0002534800000000 ] - [ 0.0021504800000000, -0.0004553600000000, 0.0013563400000000 ] - [ 0.0021512600000000, -0.0015837800000000, 0.0012018100000000 ] - [ 0.0010729100000000, 0.0014021900000000, 0.0010512300000000 ] - [ 0.0009637700000000, 0.0016634800000000, 0.0006509000000000 ] - [ 0.0006141900000000, -0.0065781500000000, 0.0003645200000000 ] - [ 0.0002809100000000, -0.0034188800000000, -0.0020208600000000 ] - [ 0.0008695200000000, 0.0043506100000000, -0.0000549000000000 ] - [ 0.0012710700000000, 0.0043503700000000, 0.0001441700000000 ]- atom: 65 displacement: [ -0.0099999983939046, 0.0000000000000000, -0.0000056676190151 ] forces: - [ -0.0021060300000000, 0.0021411600000000, 0.0021762000000000 ] - [ -0.0023361300000000, 0.0021474100000000, 0.0021320200000000 ] - [ -0.0023740000000000, -0.0023445800000000, 0.0022154500000000 ] - [ -0.0018628900000000, -0.0018151200000000, 0.0027252300000000 ] - [ -0.0087828400000000, 0.0009109400000000, -0.0100240600000000 ] - [ -0.0018346100000000, -0.0030915900000000, 0.0013853400000000 ] - [ -0.0019444400000000, 0.0035148500000000, 0.0022128700000000 ] - [ -0.0017127600000000, 0.0030987100000000, 0.0014251500000000 ] - [ -0.0139886300000000, 0.0189178700000000, -0.0231048300000000 ] - [ -0.0138603300000000, 0.0191340800000000, -0.0226686000000000 ] - [ -0.0124269600000000, -0.0186127100000000, -0.0229008900000000 ] - [ -0.0140475200000000, -0.0189845900000000, -0.0230878400000000 ] - [ -0.0045554700000000, 0.0039275700000000, 0.0013330400000000 ] - [ -0.0045437600000000, 0.0000142300000000, 0.0001472100000000 ] - [ -0.0044381400000000, -0.0043062600000000, 0.0013500100000000 ] - [ -0.0042769300000000, -0.0042931300000000, 0.0013493700000000 ] - [ 0.0196246600000000, 0.0210037300000000, 0.0285280300000000 ] - [ 0.0192859000000000, 0.0216965800000000, 0.0285438700000000 ] - [ 0.0191097800000000, -0.0215862300000000, 0.0288902300000000 ] - [ 0.0188309700000000, -0.0212993000000000, 0.0285254000000000 ] - [ 0.0027601800000000, 0.0039017300000000, -0.0001514000000000 ] - [ 0.0033991100000000, 0.0031006600000000, 0.0002355100000000 ] - [ 0.0027176400000000, -0.0037959900000000, -0.0003072000000000 ] - [ 0.0025706200000000, -0.0036687500000000, -0.0004395500000000 ] - [ -0.0030247000000000, 0.0019915300000000, 0.0021838700000000 ] - [ -0.0028255000000000, 0.0025874100000000, 0.0021518600000000 ] - [ -0.0020660400000000, -0.0006068800000000, -0.0000748800000000 ] - [ -0.0025403800000000, -0.0022459800000000, 0.0019136100000000 ] - [ -0.0010829300000000, -0.0028039200000000, 0.0007268200000000 ] - [ -0.0005704400000000, -0.0037289000000000, 0.0005793200000000 ] - [ -0.0014449900000000, 0.0028681800000000, 0.0011263900000000 ] - [ -0.0013183100000000, 0.0035063700000000, 0.0006384600000000 ] - [ -0.0142382500000000, 0.0186573800000000, -0.0242363200000000 ] - [ -0.0140344200000000, 0.0188358400000000, -0.0230284500000000 ] - [ -0.0129058300000000, -0.0161567100000000, -0.0236623800000000 ] - [ -0.0137269400000000, -0.0201142500000000, -0.0231444200000000 ] - [ -0.0019466900000000, 0.0065027800000000, 0.0012057400000000 ] - [ -0.0042180000000000, 0.0043787500000000, 0.0013304400000000 ] - [ -0.0047810100000000, -0.0043762400000000, 0.0016187700000000 ] - [ -0.0044413200000000, -0.0044715100000000, 0.0012038000000000 ] - [ -0.0124589500000000, 0.0311587800000000, 0.0217246100000000 ] - [ 0.0188472500000000, 0.0215874900000000, 0.0284856800000000 ] - [ 0.0187261500000000, -0.0214074700000000, 0.0284971500000000 ] - [ 0.0185936400000000, -0.0211088600000000, 0.0282905100000000 ] - [ -0.0040715500000000, 0.0086761300000000, 0.0106820500000000 ] - [ 0.0021120200000000, 0.0040143000000000, -0.0007495000000000 ] - [ 0.0018086800000000, -0.0037201800000000, -0.0007558400000000 ] - [ 0.0017469300000000, -0.0037448400000000, -0.0011569400000000 ] - [ -0.0024758800000000, -0.0004638900000000, -0.0023951700000000 ] - [ -0.0067359200000000, -0.0044668900000000, -0.0038371600000000 ] - [ -0.0027424700000000, 0.0008313000000000, -0.0027044000000000 ] - [ -0.0026153500000000, 0.0007766100000000, -0.0023330300000000 ] - [ -0.0107732600000000, -0.0090686700000000, 0.0027253100000000 ] - [ -0.0036739500000000, -0.0004410500000000, -0.0017589500000000 ] - [ -0.0025258800000000, 0.0010220300000000, -0.0025195900000000 ] - [ -0.0030149700000000, 0.0004465700000000, -0.0027825700000000 ] - [ 0.0033231500000000, 0.0022894000000000, -0.0087039200000000 ] - [ 0.0028424000000000, 0.0018059400000000, -0.0089504700000000 ] - [ 0.0011963300000000, -0.0005095000000000, -0.0101240600000000 ] - [ 0.0034299000000000, -0.0024566900000000, -0.0086866300000000 ] - [ -0.0011681100000000, -0.0044253200000000, -0.0014119300000000 ] - [ -0.0009488600000000, -0.0031598600000000, -0.0007936800000000 ] - [ -0.0009288800000000, 0.0037865900000000, -0.0001432800000000 ] - [ -0.0007729800000000, 0.0023065300000000, -0.0014952000000000 ] - [ 0.0564686200000000, -0.0118474200000000, 0.0046521600000000 ] - [ 0.0017038000000000, -0.0014696500000000, 0.0011569600000000 ] - [ 0.0007161400000000, 0.0013047700000000, 0.0007673100000000 ] - [ 0.0010133300000000, 0.0013864400000000, 0.0010801100000000 ] - [ -0.0018803900000000, -0.0048995000000000, -0.0022229600000000 ] - [ 0.0003702300000000, -0.0043673700000000, -0.0000382200000000 ] - [ 0.0037321400000000, 0.0049278400000000, 0.0001918900000000 ] - [ 0.0007451700000000, 0.0043999400000000, 0.0000583300000000 ] - [ 0.0062105000000000, 0.0011912100000000, -0.0074739900000000 ] - [ 0.0037994500000000, 0.0021425200000000, -0.0082600600000000 ] - [ 0.0034788900000000, -0.0032479900000000, -0.0071903200000000 ] - [ 0.0025599800000000, 0.0022844600000000, -0.0037695200000000 ] - [ -0.0039877800000000, -0.0040679600000000, 0.0024801300000000 ] - [ -0.0011891500000000, -0.0037652900000000, -0.0000307600000000 ] - [ -0.0018796900000000, 0.0033576800000000, 0.0007855600000000 ] - [ -0.0010607300000000, 0.0041552300000000, 0.0002059200000000 ] - [ 0.0000633100000000, -0.0024845000000000, 0.0010336400000000 ] - [ 0.0000638200000000, -0.0013544300000000, 0.0011899700000000 ] - [ 0.0011423400000000, 0.0015335000000000, 0.0013370600000000 ] - [ 0.0012515800000000, 0.0012718000000000, 0.0017386500000000 ] - [ 0.0003727000000000, -0.0019253400000000, -0.0002057200000000 ] - [ 0.0007075300000000, -0.0050724200000000, 0.0021673600000000 ] - [ 0.0001193800000000, 0.0041428100000000, 0.0002107300000000 ] - [ -0.0002822600000000, 0.0041401100000000, 0.0000096100000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0019995700000000, 0.0024750100000000, 0.0022279000000000 ] - [ -0.0024712800000000, 0.0019983400000000, 0.0022513200000000 ] - [ -0.0024855100000000, -0.0025451600000000, 0.0022046300000000 ] - [ -0.0037621700000000, -0.0012754100000000, 0.0004763400000000 ] - [ -0.0047202900000000, 0.0026923600000000, -0.0085266100000000 ] - [ -0.0016228200000000, -0.0038711600000000, 0.0010701700000000 ] - [ -0.0019811600000000, 0.0034523000000000, 0.0010953000000000 ] - [ -0.0015874100000000, 0.0029064400000000, 0.0013291900000000 ] - [ -0.0139997400000000, 0.0185323200000000, -0.0231321500000000 ] - [ -0.0139357800000000, 0.0198083100000000, -0.0223607400000000 ] - [ -0.0154431700000000, -0.0167036400000000, -0.0230556100000000 ] - [ -0.0137776400000000, -0.0197212700000000, -0.0232125300000000 ] - [ -0.0042469100000000, 0.0033846100000000, 0.0014761200000000 ] - [ -0.0012661700000000, 0.0336225400000000, 0.0032920000000000 ] - [ -0.0044809200000000, -0.0044860000000000, 0.0012233500000000 ] - [ -0.0045175300000000, -0.0043675500000000, 0.0015746400000000 ] - [ 0.0195134900000000, 0.0212247600000000, 0.0285780800000000 ] - [ 0.0156186000000000, 0.0203624900000000, 0.0280927500000000 ] - [ 0.0188636300000000, -0.0214918000000000, 0.0287257800000000 ] - [ 0.0188355300000000, -0.0214342100000000, 0.0284688100000000 ] - [ 0.0020996800000000, 0.0033160500000000, -0.0006764800000000 ] - [ 0.0023682000000000, 0.0039225100000000, -0.0001580500000000 ] - [ 0.0025892900000000, -0.0033467300000000, -0.0005831300000000 ] - [ 0.0022991400000000, -0.0040129200000000, -0.0005727900000000 ] - [ -0.0025310200000000, 0.0017479100000000, 0.0017342300000000 ] - [ -0.0023872500000000, 0.0027444900000000, 0.0031944400000000 ] - [ -0.0028833000000000, -0.0014379300000000, 0.0017328000000000 ] - [ -0.0025989400000000, -0.0025040500000000, 0.0019787000000000 ] - [ -0.0020230700000000, -0.0033996900000000, 0.0013961100000000 ] - [ -0.0018570500000000, -0.0030771100000000, 0.0010743400000000 ] - [ -0.0015573300000000, 0.0026598700000000, 0.0012386400000000 ] - [ -0.0020042400000000, 0.0040940100000000, 0.0019561700000000 ] - [ -0.0142086100000000, 0.0185816700000000, -0.0236919000000000 ] - [ -0.0140423300000000, 0.0188081700000000, -0.0228078400000000 ] - [ -0.0164013100000000, -0.0195943700000000, -0.0228239300000000 ] - [ -0.0138912800000000, -0.0195232600000000, -0.0233273900000000 ] - [ -0.0038471300000000, 0.0058698900000000, 0.0009737200000000 ] - [ -0.0045912500000000, 0.0039369000000000, 0.0013237100000000 ] - [ -0.0044292300000000, -0.0040578100000000, 0.0013305400000000 ] - [ -0.0043710400000000, -0.0046589700000000, 0.0012541400000000 ] - [ 0.0073341000000000, 0.0265594100000000, 0.0264557900000000 ] - [ 0.0186510900000000, 0.0203942900000000, 0.0284561200000000 ] - [ 0.0188465800000000, -0.0217954800000000, 0.0285006600000000 ] - [ 0.0185102300000000, -0.0204895700000000, 0.0283807300000000 ] - [ -0.0026043100000000, 0.0116797500000000, 0.0120621700000000 ] - [ 0.0023684600000000, 0.0023738600000000, -0.0000174000000000 ] - [ 0.0023627500000000, -0.0041339600000000, -0.0002559000000000 ] - [ 0.0023324500000000, -0.0031640800000000, -0.0010852100000000 ] - [ -0.0034599100000000, -0.0001195600000000, -0.0023269500000000 ] - [ 0.0088832900000000, -0.0024798700000000, 0.0014162900000000 ] - [ -0.0029817700000000, 0.0006030600000000, -0.0026341500000000 ] - [ -0.0026436500000000, 0.0011452800000000, -0.0025284800000000 ] - [ 0.0004138100000000, -0.0058603200000000, -0.0012792600000000 ] - [ -0.0025106900000000, 0.0003594700000000, -0.0020278000000000 ] - [ -0.0025347900000000, 0.0012584900000000, -0.0020698700000000 ] - [ -0.0020430500000000, 0.0003860300000000, -0.0040330300000000 ] - [ 0.0035906600000000, 0.0022602900000000, -0.0083928200000000 ] - [ 0.0037508100000000, 0.0017960800000000, -0.0087344000000000 ] - [ 0.0010662500000000, -0.0022457100000000, -0.0080748400000000 ] - [ 0.0036255500000000, -0.0009649800000000, -0.0078210100000000 ] - [ -0.0005617000000000, -0.0035427600000000, 0.0010848100000000 ] - [ -0.0015024800000000, -0.0035141300000000, -0.0001867500000000 ] - [ -0.0011114100000000, 0.0044658500000000, 0.0000402900000000 ] - [ -0.0007655300000000, 0.0002463500000000, 0.0011213500000000 ] - [ 0.0119996100000000, -0.0458585000000000, -0.0024255400000000 ] - [ 0.0011097800000000, -0.0002810900000000, 0.0013638700000000 ] - [ 0.0009448900000000, 0.0014957200000000, 0.0013175100000000 ] - [ 0.0010264800000000, 0.0016613000000000, 0.0012226900000000 ] - [ 0.0000181900000000, -0.0049523100000000, -0.0006688100000000 ] - [ 0.0004750800000000, -0.0037177500000000, -0.0000453900000000 ] - [ 0.0017098700000000, 0.0051458400000000, -0.0010792400000000 ] - [ 0.0003863000000000, 0.0044656600000000, 0.0003594900000000 ] - [ 0.0058096300000000, 0.0008912100000000, -0.0066538700000000 ] - [ 0.0033318800000000, 0.0025258100000000, -0.0087616000000000 ] - [ 0.0036996900000000, -0.0005882800000000, -0.0090718800000000 ] - [ 0.0021472300000000, -0.0017085700000000, -0.0074624900000000 ] - [ -0.0030620000000000, -0.0066877600000000, -0.0015879400000000 ] - [ -0.0007237900000000, -0.0031942100000000, -0.0001303700000000 ] - [ -0.0009348900000000, 0.0037326300000000, 0.0001744400000000 ] - [ -0.0010466600000000, 0.0040151200000000, -0.0000158700000000 ] - [ 0.0009942400000000, -0.0018070600000000, 0.0012015300000000 ] - [ 0.0021228400000000, -0.0018045900000000, 0.0012152500000000 ] - [ 0.0011734800000000, 0.0018546900000000, 0.0011136000000000 ] - [ 0.0009118400000000, 0.0005595900000000, 0.0013226300000000 ] - [ -0.0001604700000000, -0.0017355700000000, 0.0009675400000000 ] - [ 0.0011500700000000, -0.0020055400000000, -0.0050672300000000 ] - [ 0.0005544000000000, 0.0047824400000000, -0.0000071300000000 ] - [ 0.0010804700000000, 0.0033615200000000, 0.0003237200000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0030288300000000, 0.0019400400000000, 0.0019753700000000 ] - [ -0.0025561200000000, 0.0024157000000000, 0.0019512500000000 ] - [ -0.0025417100000000, -0.0018686300000000, 0.0019988300000000 ] - [ -0.0012598600000000, -0.0031388600000000, 0.0037269300000000 ] - [ 0.0014071400000000, -0.0091062800000000, 0.0109626600000000 ] - [ -0.0016928100000000, -0.0024882100000000, 0.0014155300000000 ] - [ -0.0013346100000000, 0.0029072800000000, 0.0013881200000000 ] - [ -0.0017287400000000, 0.0034505100000000, 0.0011556700000000 ] - [ -0.0139963200000000, 0.0193736800000000, -0.0231618900000000 ] - [ -0.0140602500000000, 0.0180969000000000, -0.0239323800000000 ] - [ -0.0125556300000000, -0.0212028500000000, -0.0232383700000000 ] - [ -0.0142167500000000, -0.0181861500000000, -0.0230815600000000 ] - [ -0.0045823200000000, 0.0053788500000000, 0.0010978200000000 ] - [ -0.0080686100000000, -0.0263119300000000, -0.0007998000000000 ] - [ -0.0043524900000000, -0.0042817600000000, 0.0013509700000000 ] - [ -0.0043155600000000, -0.0044017000000000, 0.0009980900000000 ] - [ 0.0180930500000000, 0.0214446900000000, 0.0284042700000000 ] - [ 0.0219794700000000, 0.0223024000000000, 0.0288908600000000 ] - [ 0.0187392400000000, -0.0211727000000000, 0.0282514700000000 ] - [ 0.0187686900000000, -0.0212332300000000, 0.0285130000000000 ] - [ 0.0025339400000000, 0.0040095700000000, -0.0003243000000000 ] - [ 0.0022717300000000, 0.0034018700000000, -0.0008362300000000 ] - [ 0.0020465400000000, -0.0039794500000000, -0.0004149300000000 ] - [ 0.0023390400000000, -0.0033149200000000, -0.0004245600000000 ] - [ -0.0024947300000000, 0.0026673400000000, 0.0024637600000000 ] - [ -0.0026413400000000, 0.0016697900000000, 0.0010061300000000 ] - [ -0.0021416300000000, -0.0029675500000000, 0.0024698100000000 ] - [ -0.0024289300000000, -0.0019119500000000, 0.0022247500000000 ] - [ -0.0012983300000000, -0.0029584200000000, 0.0010928800000000 ] - [ -0.0014567300000000, -0.0032830600000000, 0.0014075300000000 ] - [ -0.0017605700000000, 0.0037015500000000, 0.0012458800000000 ] - [ -0.0013081100000000, 0.0022633700000000, 0.0005267800000000 ] - [ -0.0137855700000000, 0.0193275800000000, -0.0225992800000000 ] - [ -0.0139538400000000, 0.0190973500000000, -0.0234871900000000 ] - [ -0.0116351600000000, -0.0183228900000000, -0.0234625600000000 ] - [ -0.0141083800000000, -0.0183848500000000, -0.0229645500000000 ] - [ -0.0049839000000000, 0.0029122800000000, 0.0015982300000000 ] - [ -0.0042437500000000, 0.0048295100000000, 0.0012505200000000 ] - [ -0.0044027400000000, -0.0047122300000000, 0.0012421000000000 ] - [ -0.0044621400000000, -0.0041097800000000, 0.0013204400000000 ] - [ 0.0303096800000000, 0.0162084800000000, 0.0305227300000000 ] - [ 0.0189520000000000, 0.0222663300000000, 0.0285264900000000 ] - [ 0.0187578500000000, -0.0208714900000000, 0.0284800900000000 ] - [ 0.0190943300000000, -0.0221786200000000, 0.0285998800000000 ] - [ 0.0071883400000000, -0.0043646900000000, -0.0128684900000000 ] - [ 0.0022702800000000, 0.0049473300000000, -0.0009798200000000 ] - [ 0.0022767000000000, -0.0031934700000000, -0.0007383900000000 ] - [ 0.0023048700000000, -0.0041657000000000, 0.0000884700000000 ] - [ -0.0018993900000000, -0.0014417000000000, -0.0022772000000000 ] - [ -0.0142526200000000, 0.0009042600000000, -0.0060212400000000 ] - [ -0.0023667700000000, 0.0009658700000000, -0.0019654400000000 ] - [ -0.0027064500000000, 0.0004211000000000, -0.0020724600000000 ] - [ -0.0057608500000000, 0.0042336900000000, -0.0033234600000000 ] - [ -0.0028365900000000, -0.0019156600000000, -0.0025768900000000 ] - [ -0.0028163900000000, 0.0003039700000000, -0.0025267900000000 ] - [ -0.0033081600000000, 0.0011798800000000, -0.0005620900000000 ] - [ 0.0035486400000000, 0.0018060100000000, -0.0084518500000000 ] - [ 0.0033845700000000, 0.0022731000000000, -0.0081150800000000 ] - [ 0.0060774400000000, -0.0018282800000000, -0.0087756100000000 ] - [ 0.0035132800000000, -0.0031026900000000, -0.0090251100000000 ] - [ -0.0014933700000000, -0.0041232600000000, -0.0011140800000000 ] - [ -0.0005529500000000, -0.0041510800000000, 0.0001378900000000 ] - [ -0.0009480500000000, 0.0032009700000000, -0.0000885900000000 ] - [ -0.0012922200000000, 0.0074213900000000, -0.0011692000000000 ] - [ -0.0092230900000000, 0.0444169300000000, 0.0047375700000000 ] - [ 0.0011052300000000, -0.0026457500000000, 0.0010259200000000 ] - [ 0.0012716100000000, 0.0014391100000000, 0.0010727900000000 ] - [ 0.0011892300000000, 0.0012738300000000, 0.0011669000000000 ] - [ 0.0009639700000000, -0.0035448700000000, 0.0008199600000000 ] - [ 0.0005134900000000, -0.0047739000000000, 0.0002013500000000 ] - [ -0.0007336400000000, 0.0033389500000000, 0.0012293100000000 ] - [ 0.0006012900000000, 0.0040273500000000, -0.0002043700000000 ] - [ 0.0013237500000000, 0.0031814500000000, -0.0102001600000000 ] - [ 0.0038056500000000, 0.0015432500000000, -0.0080861000000000 ] - [ 0.0034404700000000, -0.0034650400000000, -0.0077891000000000 ] - [ 0.0050008800000000, -0.0023509800000000, -0.0093784100000000 ] - [ 0.0010095000000000, -0.0009761600000000, 0.0015314600000000 ] - [ -0.0013348200000000, -0.0044732200000000, 0.0000847900000000 ] - [ -0.0011245900000000, 0.0039304200000000, -0.0002245700000000 ] - [ -0.0010112300000000, 0.0036527500000000, -0.0000307200000000 ] - [ 0.0012235600000000, -0.0011312100000000, 0.0011882700000000 ] - [ 0.0000937300000000, -0.0011287500000000, 0.0011751400000000 ] - [ 0.0010420600000000, 0.0010805800000000, 0.0012745200000000 ] - [ 0.0013035900000000, 0.0023779400000000, 0.0010669800000000 ] - [ 0.0011387300000000, -0.0067616000000000, -0.0007881800000000 ] - [ -0.0001669000000000, -0.0065039600000000, 0.0052268300000000 ] - [ 0.0004352300000000, 0.0037118200000000, 0.0001609200000000 ] - [ -0.0000942300000000, 0.0051324900000000, -0.0001669100000000 ]- atom: 65 displacement: [ -0.0034429113111456, 0.0000000000000000, 0.0093886293836526 ] forces: - [ -0.0015361500000000, 0.0021956900000000, 0.0016497300000000 ] - [ -0.0023427000000000, 0.0021024200000000, 0.0020697400000000 ] - [ -0.0026623500000000, -0.0016594400000000, 0.0021882900000000 ] - [ -0.0028593900000000, -0.0030090400000000, 0.0027035500000000 ] - [ 0.0062848200000000, -0.0141916600000000, 0.0271932400000000 ] - [ -0.0017035500000000, -0.0032082800000000, 0.0014482200000000 ] - [ -0.0026828900000000, 0.0031839900000000, 0.0012319600000000 ] - [ -0.0018593700000000, 0.0032463900000000, 0.0012883100000000 ] - [ -0.0139001100000000, 0.0189853100000000, -0.0232887600000000 ] - [ -0.0139448300000000, 0.0187222000000000, -0.0242980600000000 ] - [ -0.0134632700000000, -0.0189341600000000, -0.0216934400000000 ] - [ -0.0139565800000000, -0.0189721800000000, -0.0229501900000000 ] - [ -0.0042592300000000, 0.0037226700000000, 0.0018938400000000 ] - [ -0.0028019800000000, 0.0053850400000000, 0.0015717500000000 ] - [ -0.0047016600000000, -0.0043889400000000, 0.0010292000000000 ] - [ -0.0046366500000000, -0.0043815500000000, 0.0009556500000000 ] - [ 0.0189790600000000, 0.0215208300000000, 0.0291740600000000 ] - [ 0.0187451600000000, 0.0212699500000000, 0.0285749100000000 ] - [ 0.0187284200000000, -0.0209953100000000, 0.0276047900000000 ] - [ 0.0188526200000000, -0.0213498400000000, 0.0284271800000000 ] - [ 0.0024208300000000, 0.0037830700000000, -0.0003309200000000 ] - [ 0.0026623700000000, 0.0033338400000000, -0.0002109000000000 ] - [ 0.0013289700000000, -0.0035735500000000, -0.0009335300000000 ] - [ 0.0022658600000000, -0.0036678200000000, -0.0006108300000000 ] - [ -0.0032524600000000, 0.0014060900000000, 0.0017993000000000 ] - [ -0.0028171200000000, 0.0027233000000000, 0.0018475000000000 ] - [ -0.0013051500000000, -0.0015927700000000, 0.0016326700000000 ] - [ -0.0024059200000000, -0.0022593400000000, 0.0020963400000000 ] - [ -0.0014928000000000, -0.0029837700000000, 0.0010119300000000 ] - [ -0.0014407100000000, -0.0032961000000000, 0.0010792300000000 ] - [ -0.0008846600000000, 0.0022291400000000, 0.0008340300000000 ] - [ -0.0007785400000000, 0.0039072600000000, 0.0005312700000000 ] - [ -0.0145136800000000, 0.0184972700000000, -0.0246935900000000 ] - [ -0.0139902700000000, 0.0191380000000000, -0.0235186000000000 ] - [ -0.0135808500000000, -0.0179627700000000, -0.0224206600000000 ] - [ -0.0139224300000000, -0.0192550200000000, -0.0230188300000000 ] - [ -0.0037234100000000, 0.0049039300000000, 0.0013317000000000 ] - [ -0.0043982500000000, 0.0043424900000000, 0.0013475300000000 ] - [ -0.0039036600000000, -0.0046329400000000, 0.0000443200000000 ] - [ -0.0044010900000000, -0.0045680200000000, 0.0010108600000000 ] - [ 0.0134451900000000, 0.0230402400000000, 0.0274145200000000 ] - [ 0.0187690700000000, 0.0214036600000000, 0.0285286800000000 ] - [ 0.0188157300000000, -0.0215020500000000, 0.0283234700000000 ] - [ 0.0186471600000000, -0.0209045900000000, 0.0277288500000000 ] - [ -0.0117424800000000, 0.0183093800000000, 0.0327294600000000 ] - [ 0.0023259100000000, 0.0036230100000000, -0.0003077100000000 ] - [ 0.0025481800000000, -0.0030778100000000, -0.0009529000000000 ] - [ 0.0027301200000000, -0.0046424400000000, -0.0011997400000000 ] - [ -0.0029898500000000, -0.0009530200000000, -0.0029417300000000 ] - [ -0.0041942800000000, -0.0009770800000000, -0.0034389500000000 ] - [ -0.0030813600000000, 0.0005074500000000, -0.0010779600000000 ] - [ -0.0027664300000000, 0.0008234100000000, -0.0021408200000000 ] - [ -0.0069113900000000, -0.0031135700000000, -0.0016834500000000 ] - [ -0.0029220100000000, -0.0006810000000000, -0.0021788800000000 ] - [ -0.0021541800000000, 0.0012599500000000, -0.0019216800000000 ] - [ -0.0025201100000000, 0.0005442700000000, -0.0012662900000000 ] - [ 0.0030063300000000, 0.0017483900000000, -0.0080356000000000 ] - [ 0.0027763800000000, 0.0023188800000000, -0.0082680100000000 ] - [ 0.0079127700000000, -0.0024570300000000, -0.0108300300000000 ] - [ 0.0035209700000000, -0.0018979200000000, -0.0086067900000000 ] - [ -0.0006238200000000, -0.0038478300000000, -0.0009926600000000 ] - [ -0.0004266000000000, -0.0037994800000000, -0.0006680100000000 ] - [ -0.0009568700000000, 0.0035380200000000, -0.0000341500000000 ] - [ -0.0002381600000000, 0.0077998400000000, 0.0032351100000000 ] - [ 0.0177816000000000, -0.0091961800000000, -0.0630797900000000 ] - [ 0.0013489300000000, -0.0013094200000000, 0.0010816100000000 ] - [ 0.0013754000000000, 0.0012972200000000, 0.0019089800000000 ] - [ 0.0011827800000000, 0.0014129700000000, 0.0013283600000000 ] - [ -0.0004930400000000, -0.0049100700000000, -0.0012054000000000 ] - [ 0.0005137600000000, -0.0042938800000000, -0.0000695300000000 ] - [ -0.0021277000000000, 0.0024906500000000, 0.0031884100000000 ] - [ 0.0006990100000000, 0.0048631600000000, 0.0000648200000000 ] - [ 0.0072688100000000, 0.0015382200000000, -0.0038232800000000 ] - [ 0.0035677000000000, 0.0021981100000000, -0.0083472200000000 ] - [ 0.0034199300000000, -0.0024142400000000, -0.0082910600000000 ] - [ 0.0019793800000000, -0.0003167100000000, -0.0074890600000000 ] - [ -0.0071098200000000, -0.0062324300000000, 0.0008702800000000 ] - [ -0.0011316200000000, -0.0035399000000000, -0.0003198800000000 ] - [ -0.0011163400000000, 0.0028523700000000, 0.0009030600000000 ] - [ -0.0009885800000000, 0.0039035100000000, 0.0002750900000000 ] - [ 0.0007531600000000, -0.0017984100000000, 0.0011094600000000 ] - [ 0.0009000500000000, -0.0014225300000000, 0.0011630100000000 ] - [ 0.0009846600000000, 0.0015650800000000, 0.0018779600000000 ] - [ 0.0006456700000000, 0.0012826300000000, 0.0022490100000000 ] - [ 0.0000723100000000, 0.0018034500000000, -0.0008935600000000 ] - [ 0.0000775100000000, -0.0052888100000000, -0.0002177300000000 ] - [ 0.0006454400000000, 0.0041963000000000, 0.0003787200000000 ] - [ 0.0006343100000000, 0.0045398100000000, 0.0003201400000000 ]- atom: 65 displacement: [ 0.0034429113111456, 0.0000000000000000, -0.0093886293836526 ] forces: - [ -0.0034942500000000, 0.0022181700000000, 0.0025520800000000 ] - [ -0.0026854200000000, 0.0023128000000000, 0.0021334400000000 ] - [ -0.0023644700000000, -0.0027569100000000, 0.0020146900000000 ] - [ -0.0021668800000000, -0.0014035700000000, 0.0014976400000000 ] - [ -0.0100471200000000, 0.0082089400000000, -0.0255613600000000 ] - [ -0.0016128800000000, -0.0031491200000000, 0.0010361100000000 ] - [ -0.0006370700000000, 0.0031710700000000, 0.0012508100000000 ] - [ -0.0014575700000000, 0.0031124800000000, 0.0011970100000000 ] - [ -0.0140964500000000, 0.0189219700000000, -0.0230049200000000 ] - [ -0.0140528200000000, 0.0191805900000000, -0.0220001700000000 ] - [ -0.0145369900000000, -0.0189693100000000, -0.0246000600000000 ] - [ -0.0140402000000000, -0.0189341400000000, -0.0233438800000000 ] - [ -0.0045734600000000, 0.0050450000000000, 0.0006802900000000 ] - [ -0.0059756600000000, 0.0035409000000000, 0.0010047500000000 ] - [ -0.0041316300000000, -0.0043800300000000, 0.0015446400000000 ] - [ -0.0041979900000000, -0.0043875400000000, 0.0016168300000000 ] - [ 0.0186261500000000, 0.0211442700000000, 0.0278083600000000 ] - [ 0.0188543100000000, 0.0213966100000000, 0.0284063800000000 ] - [ 0.0188726800000000, -0.0216695400000000, 0.0293712600000000 ] - [ 0.0187515500000000, -0.0213165900000000, 0.0285542500000000 ] - [ 0.0022163500000000, 0.0035438500000000, -0.0006667600000000 ] - [ 0.0019732800000000, 0.0039926200000000, -0.0007865600000000 ] - [ 0.0033082400000000, -0.0037543700000000, -0.0000634700000000 ] - [ 0.0023713500000000, -0.0036584800000000, -0.0003867800000000 ] - [ -0.0017751500000000, 0.0030075800000000, 0.0024025300000000 ] - [ -0.0022113400000000, 0.0016915700000000, 0.0023517600000000 ] - [ -0.0037285300000000, -0.0028258600000000, 0.0025674900000000 ] - [ -0.0026217900000000, -0.0021543400000000, 0.0021054900000000 ] - [ -0.0018224600000000, -0.0033742300000000, 0.0014727000000000 ] - [ -0.0018763400000000, -0.0030615400000000, 0.0014047700000000 ] - [ -0.0024342600000000, 0.0041315100000000, 0.0016516300000000 ] - [ -0.0025336500000000, 0.0024497800000000, 0.0019521800000000 ] - [ -0.0134810500000000, 0.0194101000000000, -0.0215952300000000 ] - [ -0.0140063700000000, 0.0187693500000000, -0.0227774700000000 ] - [ -0.0144088700000000, -0.0199370900000000, -0.0238769600000000 ] - [ -0.0140745700000000, -0.0186511700000000, -0.0232748700000000 ] - [ -0.0051063700000000, 0.0038656600000000, 0.0012428800000000 ] - [ -0.0044350400000000, 0.0044261200000000, 0.0012265300000000 ] - [ -0.0049284200000000, -0.0041376800000000, 0.0025304400000000 ] - [ -0.0044325000000000, -0.0041993900000000, 0.0015641500000000 ] - [ 0.0240296800000000, 0.0196394300000000, 0.0296147700000000 ] - [ 0.0188343100000000, 0.0212644600000000, 0.0284529900000000 ] - [ 0.0187882000000000, -0.0211642100000000, 0.0286575000000000 ] - [ 0.0189567800000000, -0.0217642600000000, 0.0292529500000000 ] - [ 0.0157687600000000, -0.0101441000000000, -0.0322460400000000 ] - [ 0.0023119800000000, 0.0037026300000000, -0.0006880300000000 ] - [ 0.0020899500000000, -0.0042482800000000, -0.0000439200000000 ] - [ 0.0019067900000000, -0.0026809800000000, 0.0002040400000000 ] - [ -0.0023601600000000, -0.0006054800000000, -0.0016590700000000 ] - [ -0.0011388100000000, -0.0005819200000000, -0.0011559500000000 ] - [ -0.0022664900000000, 0.0010610500000000, -0.0035179300000000 ] - [ -0.0025845300000000, 0.0007415000000000, -0.0024600800000000 ] - [ 0.0015763700000000, 0.0015653400000000, -0.0029027900000000 ] - [ -0.0024284200000000, -0.0008789400000000, -0.0024212700000000 ] - [ -0.0031968400000000, 0.0003043400000000, -0.0026765900000000 ] - [ -0.0028297100000000, 0.0010228500000000, -0.0033246000000000 ] - [ 0.0041311900000000, 0.0023188900000000, -0.0088106300000000 ] - [ 0.0043591100000000, 0.0017507400000000, -0.0085786600000000 ] - [ -0.0007800600000000, -0.0016125400000000, -0.0060101300000000 ] - [ 0.0036171300000000, -0.0021718500000000, -0.0082395400000000 ] - [ -0.0014355000000000, -0.0038188000000000, 0.0009427200000000 ] - [ -0.0016292300000000, -0.0038702300000000, 0.0006180700000000 ] - [ -0.0011017000000000, 0.0041273600000000, -0.0000137000000000 ] - [ -0.0018337000000000, -0.0001377000000000, -0.0033071100000000 ] - [ -0.0143905900000000, 0.0048453200000000, 0.0647469000000000 ] - [ 0.0008659300000000, -0.0016257200000000, 0.0013082600000000 ] - [ 0.0008419800000000, 0.0016393200000000, 0.0004818200000000 ] - [ 0.0010323400000000, 0.0015213800000000, 0.0010616200000000 ] - [ 0.0014835400000000, -0.0035822200000000, 0.0013609300000000 ] - [ 0.0004741100000000, -0.0042003100000000, 0.0002245500000000 ] - [ 0.0031044400000000, 0.0060085800000000, -0.0030543900000000 ] - [ 0.0002876800000000, 0.0036255900000000, 0.0000914500000000 ] - [ -0.0001368100000000, 0.0025429500000000, -0.0129998000000000 ] - [ 0.0035692600000000, 0.0018692800000000, -0.0085007800000000 ] - [ 0.0037173300000000, -0.0016585300000000, -0.0085541700000000 ] - [ 0.0051708800000000, -0.0037624300000000, -0.0093566200000000 ] - [ 0.0050181800000000, -0.0014320000000000, -0.0008946400000000 ] - [ -0.0009273700000000, -0.0041284600000000, 0.0002731700000000 ] - [ -0.0009405700000000, 0.0048181700000000, -0.0009535400000000 ] - [ -0.0010700700000000, 0.0037617700000000, -0.0003217100000000 ] - [ 0.0014605300000000, -0.0011373200000000, 0.0012803800000000 ] - [ 0.0013157100000000, -0.0015139800000000, 0.0012270100000000 ] - [ 0.0012298800000000, 0.0013689200000000, 0.0005113200000000 ] - [ 0.0015690200000000, 0.0016573800000000, 0.0001387500000000 ] - [ 0.0009126700000000, -0.0102922500000000, 0.0010593300000000 ] - [ 0.0009061500000000, -0.0032136100000000, 0.0003679600000000 ] - [ 0.0003412900000000, 0.0042955900000000, -0.0002231100000000 ] - [ 0.0003531000000000, 0.0039532300000000, -0.0001643100000000 ]- atom: 69 displacement: [ 0.0099999983939046, 0.0000000000000000, 0.0000056676190151 ] forces: - [ 0.0149322400000000, 0.0133203900000000, 0.0042856400000000 ] - [ -0.0023971700000000, 0.0021425300000000, 0.0021738400000000 ] - [ -0.0025189600000000, -0.0023896900000000, 0.0022863400000000 ] - [ -0.0024744000000000, -0.0018251000000000, 0.0021453300000000 ] - [ -0.0022541600000000, -0.0031634500000000, 0.0007531000000000 ] - [ -0.0016981400000000, -0.0031554500000000, 0.0012098000000000 ] - [ 0.0152660900000000, -0.0070315700000000, -0.0103881200000000 ] - [ -0.0011959500000000, 0.0035634400000000, 0.0009718300000000 ] - [ -0.0140942900000000, 0.0188666300000000, -0.0231650200000000 ] - [ -0.0138505500000000, 0.0199492000000000, -0.0251355700000000 ] - [ -0.0146753900000000, -0.0183381600000000, -0.0223474800000000 ] - [ -0.0140347900000000, -0.0190909400000000, -0.0231162700000000 ] - [ -0.0046346900000000, 0.0043104600000000, 0.0012688300000000 ] - [ -0.0053363100000000, 0.0044220500000000, 0.0011476300000000 ] - [ -0.0045424100000000, -0.0029721700000000, 0.0024416700000000 ] - [ -0.0042276800000000, -0.0046914700000000, 0.0015316200000000 ] - [ 0.0187017200000000, 0.0210075000000000, 0.0286093200000000 ] - [ 0.0187150100000000, 0.0215281900000000, 0.0284095600000000 ] - [ 0.0203750300000000, -0.0218785600000000, 0.0267854600000000 ] - [ 0.0188153200000000, -0.0211214800000000, 0.0284738800000000 ] - [ 0.0033018300000000, 0.0037443100000000, -0.0004451400000000 ] - [ 0.0044880800000000, -0.0004260400000000, 0.0000978300000000 ] - [ 0.0027665300000000, -0.0037916600000000, 0.0005048600000000 ] - [ 0.0024430100000000, -0.0035187100000000, -0.0003450400000000 ] - [ -0.0033258000000000, 0.0030534300000000, 0.0020785900000000 ] - [ -0.0028526600000000, 0.0017190600000000, 0.0021344500000000 ] - [ -0.0016164200000000, -0.0017154700000000, 0.0018062300000000 ] - [ -0.0025386200000000, -0.0021857700000000, 0.0020888600000000 ] - [ -0.0015728200000000, -0.0031895800000000, 0.0015751000000000 ] - [ -0.0014401700000000, -0.0032913700000000, 0.0013538600000000 ] - [ -0.0023061700000000, 0.0025348300000000, 0.0012446200000000 ] - [ -0.0025362300000000, 0.0040140900000000, 0.0011726800000000 ] - [ -0.0147310100000000, 0.0195953100000000, -0.0224777800000000 ] - [ -0.0139945000000000, 0.0188114400000000, -0.0230370100000000 ] - [ -0.0134117800000000, -0.0182270900000000, -0.0241923000000000 ] - [ -0.0136306900000000, -0.0191922600000000, -0.0229361100000000 ] - [ -0.0012179800000000, 0.0079937700000000, -0.0062139100000000 ] - [ -0.0043119900000000, 0.0045352000000000, 0.0014044600000000 ] - [ -0.0055510100000000, -0.0040675400000000, -0.0009807300000000 ] - [ -0.0045154600000000, -0.0043959900000000, 0.0011633000000000 ] - [ 0.0182951400000000, 0.0218428500000000, 0.0264983400000000 ] - [ 0.0188892700000000, 0.0214207100000000, 0.0285363100000000 ] - [ 0.0185965700000000, -0.0211166000000000, 0.0285334500000000 ] - [ 0.0181725500000000, -0.0216866100000000, 0.0287811000000000 ] - [ 0.0004643000000000, 0.0035328300000000, -0.0005603200000000 ] - [ 0.0020452600000000, 0.0036716200000000, -0.0005167500000000 ] - [ 0.0020962500000000, -0.0036744100000000, -0.0007425800000000 ] - [ 0.0019783500000000, -0.0036909100000000, -0.0010666700000000 ] - [ -0.0021285500000000, -0.0003023200000000, -0.0024529600000000 ] - [ -0.0015374800000000, -0.0022116100000000, -0.0020752900000000 ] - [ -0.0024843600000000, -0.0005150000000000, 0.0082807500000000 ] - [ -0.0024319500000000, 0.0006757100000000, -0.0023911400000000 ] - [ -0.0062763800000000, -0.0045161000000000, 0.0024540700000000 ] - [ -0.0030770400000000, -0.0008119400000000, -0.0022412800000000 ] - [ -0.0021395200000000, -0.0001414300000000, -0.0026180600000000 ] - [ -0.0028238400000000, 0.0012157500000000, -0.0027766900000000 ] - [ 0.0027867500000000, 0.0048655500000000, -0.0076866800000000 ] - [ 0.0037911900000000, 0.0001086900000000, -0.0082616200000000 ] - [ 0.0033965600000000, -0.0017061100000000, -0.0092369200000000 ] - [ 0.0035224700000000, -0.0021419100000000, -0.0085684400000000 ] - [ -0.0010301400000000, -0.0079924400000000, 0.0022004900000000 ] - [ -0.0026814300000000, -0.0030127800000000, -0.0001079100000000 ] - [ -0.0009296600000000, 0.0038718300000000, 0.0000839600000000 ] - [ -0.0005186600000000, 0.0036787800000000, 0.0009530900000000 ] - [ 0.0034696900000000, -0.0019375300000000, 0.0010137200000000 ] - [ 0.0012306800000000, -0.0014878400000000, 0.0012610400000000 ] - [ -0.0021307700000000, 0.0002462200000000, -0.0027744400000000 ] - [ 0.0008557100000000, 0.0015746700000000, 0.0013211400000000 ] - [ -0.0404628400000000, 0.0005188400000000, 0.0092905600000000 ] - [ 0.0005298600000000, -0.0043425800000000, 0.0000331900000000 ] - [ 0.0006228500000000, 0.0047121400000000, 0.0010092500000000 ] - [ 0.0005743900000000, 0.0042599100000000, 0.0001113800000000 ] - [ 0.0076112400000000, 0.0030996700000000, -0.0087853400000000 ] - [ 0.0034361900000000, 0.0017483500000000, -0.0083416100000000 ] - [ 0.0035197200000000, -0.0024408900000000, -0.0080851500000000 ] - [ 0.0029285800000000, -0.0004911900000000, -0.0069726500000000 ] - [ 0.0038400600000000, -0.0058397700000000, -0.0014220800000000 ] - [ -0.0010070400000000, -0.0036226400000000, -0.0001696000000000 ] - [ -0.0010299700000000, 0.0038308700000000, -0.0005670500000000 ] - [ -0.0010110200000000, 0.0038525800000000, -0.0000953700000000 ] - [ 0.0008888600000000, -0.0008198800000000, 0.0006729900000000 ] - [ 0.0012240800000000, -0.0021166100000000, 0.0007961100000000 ] - [ 0.0014825200000000, 0.0014071400000000, 0.0014938800000000 ] - [ 0.0018840400000000, 0.0008822600000000, 0.0016297000000000 ] - [ 0.0013353400000000, -0.0041128900000000, 0.0001449900000000 ] - [ 0.0013344900000000, -0.0042960700000000, -0.0001038200000000 ] - [ 0.0003870100000000, 0.0040573900000000, -0.0006259300000000 ] - [ 0.0001940100000000, 0.0045014200000000, -0.0001913300000000 ]- atom: 69 displacement: [ -0.0099999983939046, 0.0000000000000000, -0.0000056676190151 ] forces: - [ -0.0191788000000000, -0.0083687800000000, 0.0002293500000000 ] - [ -0.0026290000000000, 0.0022709500000000, 0.0020299300000000 ] - [ -0.0025084900000000, -0.0020251500000000, 0.0019155900000000 ] - [ -0.0025531600000000, -0.0025877700000000, 0.0020598600000000 ] - [ -0.0010595300000000, -0.0031965700000000, 0.0017354800000000 ] - [ -0.0016183700000000, -0.0032014800000000, 0.0012749700000000 ] - [ -0.0191267400000000, 0.0138505400000000, 0.0134048200000000 ] - [ -0.0021220200000000, 0.0027950300000000, 0.0015130900000000 ] - [ -0.0139023700000000, 0.0190391500000000, -0.0231292400000000 ] - [ -0.0141431800000000, 0.0179561200000000, -0.0211557000000000 ] - [ -0.0133248600000000, -0.0195650900000000, -0.0239435400000000 ] - [ -0.0139620600000000, -0.0188148000000000, -0.0231783200000000 ] - [ -0.0041986400000000, 0.0044584400000000, 0.0013044700000000 ] - [ -0.0034926400000000, 0.0043487300000000, 0.0014260500000000 ] - [ -0.0042894800000000, -0.0057966400000000, 0.0001311200000000 ] - [ -0.0046068900000000, -0.0040765700000000, 0.0010407300000000 ] - [ 0.0189040600000000, 0.0216577500000000, 0.0283725500000000 ] - [ 0.0188911800000000, 0.0211413500000000, 0.0285709800000000 ] - [ 0.0172289800000000, -0.0207903700000000, 0.0301893900000000 ] - [ 0.0187885600000000, -0.0215465200000000, 0.0285091000000000 ] - [ 0.0013349500000000, 0.0035841400000000, -0.0005505700000000 ] - [ 0.0000914700000000, 0.0079508700000000, -0.0011105900000000 ] - [ 0.0018738800000000, -0.0035376500000000, -0.0015029800000000 ] - [ 0.0021943200000000, -0.0038065600000000, -0.0006524800000000 ] - [ -0.0017055100000000, 0.0013648700000000, 0.0021233400000000 ] - [ -0.0021739100000000, 0.0026977300000000, 0.0020644500000000 ] - [ -0.0034250600000000, -0.0027092600000000, 0.0023992200000000 ] - [ -0.0024900700000000, -0.0022277300000000, 0.0021137600000000 ] - [ -0.0017444200000000, -0.0031635900000000, 0.0009058200000000 ] - [ -0.0018774900000000, -0.0030654000000000, 0.0011301700000000 ] - [ -0.0010102800000000, 0.0038230000000000, 0.0012397300000000 ] - [ -0.0007812500000000, 0.0023446500000000, 0.0013097500000000 ] - [ -0.0132744700000000, 0.0183177900000000, -0.0238077600000000 ] - [ -0.0140027700000000, 0.0190957200000000, -0.0232599600000000 ] - [ -0.0145916100000000, -0.0196860900000000, -0.0220996300000000 ] - [ -0.0143693400000000, -0.0187081600000000, -0.0233583200000000 ] - [ -0.0076868400000000, 0.0007551700000000, 0.0088308500000000 ] - [ -0.0045239700000000, 0.0042309700000000, 0.0011664900000000 ] - [ -0.0032786600000000, -0.0047024200000000, 0.0035613200000000 ] - [ -0.0043184900000000, -0.0043719800000000, 0.0014112500000000 ] - [ 0.0192874800000000, 0.0208061500000000, 0.0304899100000000 ] - [ 0.0187126100000000, 0.0212468400000000, 0.0284449100000000 ] - [ 0.0190073600000000, -0.0215488200000000, 0.0284469000000000 ] - [ 0.0194282400000000, -0.0209836500000000, 0.0281987900000000 ] - [ 0.0041733400000000, 0.0037900300000000, -0.0004403400000000 ] - [ 0.0025918000000000, 0.0036572100000000, -0.0004813200000000 ] - [ 0.0025394500000000, -0.0036528300000000, -0.0002539200000000 ] - [ 0.0026591800000000, -0.0036346300000000, 0.0000735900000000 ] - [ -0.0032227300000000, -0.0012577300000000, -0.0021486600000000 ] - [ -0.0038145600000000, 0.0006419300000000, -0.0025283400000000 ] - [ -0.0028500500000000, 0.0020813700000000, -0.0128599900000000 ] - [ -0.0029191100000000, 0.0008906200000000, -0.0022115700000000 ] - [ 0.0009817500000000, 0.0029933900000000, -0.0070767600000000 ] - [ -0.0022679200000000, -0.0007514300000000, -0.0023619000000000 ] - [ -0.0032137200000000, 0.0017002000000000, -0.0019829200000000 ] - [ -0.0025265300000000, 0.0003520700000000, -0.0018159800000000 ] - [ 0.0043512500000000, -0.0007933700000000, -0.0091620300000000 ] - [ 0.0033357400000000, 0.0039537500000000, -0.0085865200000000 ] - [ 0.0037367000000000, -0.0023580500000000, -0.0076126200000000 ] - [ 0.0036145900000000, -0.0019297200000000, -0.0082796300000000 ] - [ -0.0010305400000000, 0.0003327200000000, -0.0022431000000000 ] - [ 0.0006270200000000, -0.0046620200000000, 0.0000615200000000 ] - [ -0.0011299000000000, 0.0037936100000000, -0.0001321900000000 ] - [ -0.0015412000000000, 0.0039877800000000, -0.0010062600000000 ] - [ -0.0012757000000000, -0.0009908200000000, 0.0013803000000000 ] - [ 0.0009834600000000, -0.0014492200000000, 0.0011281800000000 ] - [ 0.0043418100000000, 0.0026882500000000, 0.0051679100000000 ] - [ 0.0013593100000000, 0.0013601500000000, 0.0010677500000000 ] - [ 0.0413443300000000, -0.0102085700000000, -0.0100265400000000 ] - [ 0.0004584400000000, -0.0041514000000000, 0.0001219800000000 ] - [ 0.0003671000000000, 0.0037806500000000, -0.0008573200000000 ] - [ 0.0004124600000000, 0.0042304800000000, 0.0000433100000000 ] - [ -0.0004594200000000, 0.0009907400000000, -0.0080546900000000 ] - [ 0.0037013000000000, 0.0023179000000000, -0.0085056600000000 ] - [ 0.0036202700000000, -0.0016292300000000, -0.0087644100000000 ] - [ 0.0042190400000000, -0.0035946300000000, -0.0098907100000000 ] - [ -0.0058677600000000, -0.0018194100000000, 0.0013827600000000 ] - [ -0.0010540000000000, -0.0040456400000000, 0.0001226500000000 ] - [ -0.0010275300000000, 0.0038372000000000, 0.0005217700000000 ] - [ -0.0010481400000000, 0.0038123500000000, 0.0000478500000000 ] - [ 0.0013180200000000, -0.0021307600000000, 0.0017130400000000 ] - [ 0.0009826000000000, -0.0008183900000000, 0.0016037400000000 ] - [ 0.0007338100000000, 0.0015263400000000, 0.0008947300000000 ] - [ 0.0003321800000000, 0.0020572700000000, 0.0007606600000000 ] - [ -0.0003482600000000, -0.0043797400000000, 0.0000114200000000 ] - [ -0.0003494000000000, -0.0042006600000000, 0.0002586900000000 ] - [ 0.0005972800000000, 0.0044337800000000, 0.0007813100000000 ] - [ 0.0007915100000000, 0.0039935100000000, 0.0003451800000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0099951900000000, 0.0107254100000000, 0.0050793300000000 ] - [ -0.0019994800000000, 0.0008430400000000, 0.0022275000000000 ] - [ -0.0026177700000000, -0.0025273200000000, 0.0021376200000000 ] - [ -0.0024545900000000, -0.0018262200000000, 0.0020908500000000 ] - [ -0.0016048700000000, -0.0027405800000000, 0.0011866500000000 ] - [ -0.0016344600000000, -0.0035389100000000, 0.0012233600000000 ] - [ -0.0129487900000000, 0.0115810700000000, 0.0103376800000000 ] - [ -0.0024855100000000, 0.0018070000000000, 0.0019566200000000 ] - [ -0.0140335800000000, 0.0182240500000000, -0.0230132500000000 ] - [ -0.0133999200000000, 0.0207224300000000, -0.0228853600000000 ] - [ -0.0136820100000000, -0.0177781200000000, -0.0231420600000000 ] - [ -0.0139496600000000, -0.0196501500000000, -0.0232525700000000 ] - [ -0.0044936900000000, 0.0039693800000000, 0.0013852400000000 ] - [ -0.0043803300000000, 0.0048214100000000, 0.0012152800000000 ] - [ -0.0043000700000000, -0.0050319100000000, 0.0009914300000000 ] - [ -0.0048012700000000, -0.0040872200000000, 0.0018216700000000 ] - [ 0.0183366000000000, 0.0209150300000000, 0.0286787600000000 ] - [ 0.0198773700000000, 0.0210937700000000, 0.0277254400000000 ] - [ 0.0186846300000000, -0.0214282000000000, 0.0276690100000000 ] - [ 0.0191389600000000, -0.0220175900000000, 0.0292461200000000 ] - [ 0.0022033000000000, 0.0019513000000000, -0.0006955700000000 ] - [ -0.0018036200000000, 0.0443423100000000, -0.0013102100000000 ] - [ 0.0019835600000000, -0.0032827200000000, -0.0007767300000000 ] - [ 0.0023096200000000, -0.0041030700000000, -0.0004178100000000 ] - [ -0.0022469300000000, 0.0016495600000000, 0.0020243600000000 ] - [ -0.0035353800000000, 0.0025669600000000, 0.0026045600000000 ] - [ -0.0012596900000000, -0.0018095600000000, 0.0024824500000000 ] - [ -0.0026573900000000, -0.0024899000000000, 0.0018711300000000 ] - [ -0.0016940200000000, -0.0037317900000000, 0.0014196800000000 ] - [ -0.0015762700000000, -0.0031592700000000, 0.0002108600000000 ] - [ -0.0016318300000000, 0.0025791700000000, 0.0012854700000000 ] - [ -0.0010149500000000, 0.0040788700000000, 0.0015754300000000 ] - [ -0.0133922600000000, 0.0182009300000000, -0.0236716200000000 ] - [ -0.0141555700000000, 0.0189460700000000, -0.0230909700000000 ] - [ -0.0131296800000000, -0.0192612900000000, -0.0225178800000000 ] - [ -0.0147357900000000, -0.0195564800000000, -0.0240528700000000 ] - [ -0.0003152500000000, 0.0092436700000000, -0.0109747100000000 ] - [ -0.0049770000000000, 0.0026507000000000, 0.0007050300000000 ] - [ -0.0048116200000000, -0.0038224700000000, 0.0000120500000000 ] - [ -0.0042193500000000, -0.0047239600000000, 0.0013575900000000 ] - [ 0.0188381100000000, 0.0229033900000000, 0.0280329300000000 ] - [ 0.0185714800000000, 0.0206718900000000, 0.0284434500000000 ] - [ 0.0188438200000000, -0.0219550800000000, 0.0285378300000000 ] - [ 0.0190035500000000, -0.0203082900000000, 0.0284515200000000 ] - [ 0.0022844900000000, 0.0041459700000000, -0.0001685000000000 ] - [ 0.0022966200000000, 0.0033132800000000, -0.0004757800000000 ] - [ 0.0024353800000000, -0.0040854500000000, -0.0004438200000000 ] - [ 0.0023470200000000, -0.0032872900000000, -0.0006733200000000 ] - [ -0.0026746100000000, 0.0001780400000000, -0.0023721300000000 ] - [ -0.0027201900000000, -0.0019503300000000, -0.0020913000000000 ] - [ -0.0036856700000000, -0.0014700100000000, 0.0027637900000000 ] - [ -0.0028225600000000, 0.0017529700000000, -0.0029932100000000 ] - [ -0.0088409100000000, -0.0025096400000000, -0.0043653800000000 ] - [ -0.0018412900000000, 0.0002922700000000, -0.0018368300000000 ] - [ -0.0028525500000000, 0.0018182900000000, -0.0022095400000000 ] - [ -0.0019642600000000, 0.0000926600000000, -0.0030510800000000 ] - [ 0.0039063100000000, 0.0032677700000000, -0.0078754300000000 ] - [ -0.0009361300000000, 0.0027039200000000, -0.0135595900000000 ] - [ 0.0041167100000000, -0.0024340900000000, -0.0083314500000000 ] - [ 0.0035173200000000, -0.0015412400000000, -0.0081340000000000 ] - [ -0.0027470100000000, -0.0004190600000000, -0.0004059900000000 ] - [ 0.0046204800000000, -0.0008156800000000, -0.0001887800000000 ] - [ -0.0010844000000000, 0.0043382700000000, -0.0000447400000000 ] - [ -0.0011687400000000, 0.0036440400000000, -0.0002885000000000 ] - [ 0.0017627000000000, -0.0021713400000000, 0.0007246600000000 ] - [ 0.0012312100000000, -0.0009387800000000, 0.0011886000000000 ] - [ 0.0017865900000000, 0.0023701000000000, 0.0033179400000000 ] - [ 0.0012642900000000, 0.0016843800000000, 0.0005903800000000 ] - [ 0.0057155900000000, -0.0722521500000000, 0.0010791200000000 ] - [ 0.0004008300000000, -0.0023001700000000, -0.0000610500000000 ] - [ 0.0000301600000000, 0.0045268400000000, 0.0004183700000000 ] - [ 0.0004816500000000, 0.0042077000000000, 0.0000882600000000 ] - [ 0.0004847700000000, 0.0003253000000000, -0.0081485100000000 ] - [ 0.0042143000000000, 0.0026113700000000, -0.0086349200000000 ] - [ 0.0034612000000000, -0.0011501400000000, -0.0084451600000000 ] - [ 0.0038891100000000, -0.0027949900000000, -0.0078639800000000 ] - [ 0.0000271200000000, -0.0064435700000000, -0.0010956000000000 ] - [ -0.0014214300000000, -0.0031195900000000, 0.0001324800000000 ] - [ -0.0010504800000000, 0.0040801100000000, -0.0005203900000000 ] - [ -0.0010438200000000, 0.0042214100000000, 0.0001662300000000 ] - [ 0.0019400900000000, 0.0007862700000000, 0.0003835100000000 ] - [ -0.0012180400000000, 0.0010346900000000, 0.0067811900000000 ] - [ 0.0010059300000000, 0.0020012900000000, 0.0012080800000000 ] - [ 0.0010040500000000, 0.0005808400000000, 0.0008435400000000 ] - [ 0.0004480800000000, -0.0039715500000000, 0.0000420700000000 ] - [ 0.0006293000000000, -0.0039722900000000, 0.0002237200000000 ] - [ 0.0006840700000000, 0.0049157100000000, 0.0002448600000000 ] - [ 0.0002431400000000, 0.0030765200000000, -0.0001031200000000 ]- atom: 69 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0147931800000000, -0.0062933000000000, -0.0007886700000000 ] - [ -0.0030256000000000, 0.0035646000000000, 0.0019799900000000 ] - [ -0.0024080700000000, -0.0018856800000000, 0.0020698200000000 ] - [ -0.0025720500000000, -0.0025864700000000, 0.0021168000000000 ] - [ -0.0017116700000000, -0.0036130400000000, 0.0012966000000000 ] - [ -0.0016811000000000, -0.0028147500000000, 0.0012600200000000 ] - [ 0.0094327200000000, -0.0052399200000000, -0.0076870700000000 ] - [ -0.0008328600000000, 0.0045403200000000, 0.0005307100000000 ] - [ -0.0139601400000000, 0.0196839600000000, -0.0232812700000000 ] - [ -0.0145933400000000, 0.0171827300000000, -0.0234055700000000 ] - [ -0.0143146600000000, -0.0201314300000000, -0.0231510700000000 ] - [ -0.0140443100000000, -0.0182591600000000, -0.0230417400000000 ] - [ -0.0043407500000000, 0.0047990600000000, 0.0011899200000000 ] - [ -0.0044551300000000, 0.0039472800000000, 0.0013601600000000 ] - [ -0.0045350100000000, -0.0037354800000000, 0.0015842000000000 ] - [ -0.0040324200000000, -0.0046818300000000, 0.0007511600000000 ] - [ 0.0192651600000000, 0.0217526500000000, 0.0283037200000000 ] - [ 0.0177248500000000, 0.0215759700000000, 0.0292553700000000 ] - [ 0.0189151500000000, -0.0212407200000000, 0.0293121100000000 ] - [ 0.0184636900000000, -0.0206527500000000, 0.0277369900000000 ] - [ 0.0024325200000000, 0.0053672300000000, -0.0003037800000000 ] - [ 0.0067077200000000, -0.0392186700000000, 0.0002815400000000 ] - [ 0.0026521600000000, -0.0040456600000000, -0.0002208500000000 ] - [ 0.0023261600000000, -0.0032232600000000, -0.0005803500000000 ] - [ -0.0027785000000000, 0.0027634700000000, 0.0021818100000000 ] - [ -0.0014876100000000, 0.0018481500000000, 0.0016028700000000 ] - [ -0.0037672800000000, -0.0026042600000000, 0.0017226600000000 ] - [ -0.0023694600000000, -0.0019223000000000, 0.0023358800000000 ] - [ -0.0016215800000000, -0.0026186000000000, 0.0010624600000000 ] - [ -0.0017391000000000, -0.0031924900000000, 0.0022742600000000 ] - [ -0.0016829500000000, 0.0037741200000000, 0.0011979700000000 ] - [ -0.0023017000000000, 0.0022751200000000, 0.0009067500000000 ] - [ -0.0146012200000000, 0.0197074200000000, -0.0226229800000000 ] - [ -0.0138378500000000, 0.0189640600000000, -0.0232033400000000 ] - [ -0.0148642600000000, -0.0186455500000000, -0.0237722900000000 ] - [ -0.0132582300000000, -0.0183507300000000, -0.0222403700000000 ] - [ -0.0084871900000000, -0.0005005900000000, 0.0133760800000000 ] - [ -0.0038598800000000, 0.0061100900000000, 0.0018673000000000 ] - [ -0.0040225900000000, -0.0049492300000000, 0.0025620200000000 ] - [ -0.0046153400000000, -0.0040456200000000, 0.0012184500000000 ] - [ 0.0187609200000000, 0.0197642700000000, 0.0289402400000000 ] - [ 0.0190311500000000, 0.0219964800000000, 0.0285372400000000 ] - [ 0.0187592500000000, -0.0207152700000000, 0.0284422500000000 ] - [ 0.0186020400000000, -0.0223605300000000, 0.0285279200000000 ] - [ 0.0023515400000000, 0.0031808700000000, -0.0008301000000000 ] - [ 0.0023394000000000, 0.0040142400000000, -0.0005222900000000 ] - [ 0.0022004200000000, -0.0032421300000000, -0.0005537600000000 ] - [ 0.0022894900000000, -0.0040404900000000, -0.0003256300000000 ] - [ -0.0026780500000000, -0.0017357900000000, -0.0022309600000000 ] - [ -0.0026309000000000, 0.0003901200000000, -0.0025111400000000 ] - [ -0.0016721900000000, 0.0030398900000000, -0.0073762300000000 ] - [ -0.0025286400000000, -0.0001862700000000, -0.0016116000000000 ] - [ 0.0034899400000000, 0.0009387600000000, -0.0002363600000000 ] - [ -0.0035061800000000, -0.0018527200000000, -0.0027641100000000 ] - [ -0.0024980700000000, -0.0002514600000000, -0.0023911000000000 ] - [ -0.0033881300000000, 0.0014717600000000, -0.0015494800000000 ] - [ 0.0032378500000000, 0.0007954500000000, -0.0089678900000000 ] - [ 0.0080866300000000, 0.0013390300000000, -0.0032752200000000 ] - [ 0.0030208900000000, -0.0016315700000000, -0.0085152600000000 ] - [ 0.0036196800000000, -0.0025248300000000, -0.0087122900000000 ] - [ 0.0006574700000000, -0.0072208900000000, 0.0003586100000000 ] - [ -0.0066826900000000, -0.0068782200000000, 0.0001383900000000 ] - [ -0.0009788500000000, 0.0033264700000000, -0.0000028200000000 ] - [ -0.0008942100000000, 0.0040211700000000, 0.0002392200000000 ] - [ 0.0004586800000000, -0.0007646300000000, 0.0016625400000000 ] - [ 0.0009863800000000, -0.0019953400000000, 0.0012001400000000 ] - [ 0.0004274900000000, 0.0005651500000000, -0.0009256100000000 ] - [ 0.0009539300000000, 0.0012482300000000, 0.0017968000000000 ] - [ -0.0050184100000000, 0.0660355500000000, -0.0009611800000000 ] - [ 0.0005891000000000, -0.0061836800000000, 0.0002146300000000 ] - [ 0.0009598900000000, 0.0039646400000000, -0.0002639700000000 ] - [ 0.0005086600000000, 0.0042842800000000, 0.0000654500000000 ] - [ 0.0066426900000000, 0.0037424000000000, -0.0086993000000000 ] - [ 0.0029244800000000, 0.0014531200000000, -0.0082120200000000 ] - [ 0.0036764300000000, -0.0029158100000000, -0.0084012500000000 ] - [ 0.0032443100000000, -0.0012672200000000, -0.0089797400000000 ] - [ -0.0020923600000000, -0.0012227900000000, 0.0010450200000000 ] - [ -0.0006429500000000, -0.0045462100000000, -0.0001784700000000 ] - [ -0.0010128900000000, 0.0035852200000000, 0.0004749200000000 ] - [ -0.0010193800000000, 0.0034417900000000, -0.0002136200000000 ] - [ 0.0002829600000000, -0.0037123400000000, 0.0019878400000000 ] - [ 0.0034387000000000, -0.0039916300000000, -0.0043926200000000 ] - [ 0.0012116300000000, 0.0009329300000000, 0.0011798500000000 ] - [ 0.0012117600000000, 0.0023538700000000, 0.0015465100000000 ] - [ 0.0005409300000000, -0.0045210800000000, 0.0001125200000000 ] - [ 0.0003601000000000, -0.0045219200000000, -0.0000716400000000 ] - [ 0.0003055600000000, 0.0035761600000000, -0.0000905200000000 ] - [ 0.0007484500000000, 0.0054161900000000, 0.0002578700000000 ]- atom: 69 displacement: [ -0.0034429113111456, 0.0000000000000000, 0.0093886293836526 ] forces: - [ -0.0064255200000000, 0.0004645800000000, 0.0021873900000000 ] - [ -0.0024198200000000, 0.0020914100000000, 0.0021507700000000 ] - [ -0.0024609200000000, -0.0020917100000000, 0.0018685600000000 ] - [ -0.0024170600000000, -0.0023212100000000, 0.0015781100000000 ] - [ -0.0019166100000000, -0.0031791300000000, 0.0007534600000000 ] - [ -0.0016691500000000, -0.0031445000000000, 0.0012087000000000 ] - [ -0.0183434600000000, 0.0142754800000000, 0.0154912500000000 ] - [ -0.0019796500000000, 0.0029677500000000, 0.0015171300000000 ] - [ -0.0139880200000000, 0.0189288800000000, -0.0230846500000000 ] - [ -0.0151167000000000, 0.0192707700000000, -0.0244119900000000 ] - [ -0.0138476900000000, -0.0193112200000000, -0.0232610700000000 ] - [ -0.0139966700000000, -0.0187474300000000, -0.0231497800000000 ] - [ -0.0042710300000000, 0.0045720900000000, 0.0012870600000000 ] - [ -0.0044182600000000, 0.0040072700000000, 0.0014005200000000 ] - [ -0.0042028800000000, -0.0054919300000000, 0.0002083200000000 ] - [ -0.0043239900000000, -0.0040416500000000, 0.0010086200000000 ] - [ 0.0197357300000000, 0.0218643100000000, 0.0283481800000000 ] - [ 0.0185661100000000, 0.0211692500000000, 0.0285530200000000 ] - [ 0.0178867900000000, -0.0216752900000000, 0.0284100900000000 ] - [ 0.0188074400000000, -0.0212513000000000, 0.0286599800000000 ] - [ 0.0019412800000000, 0.0038492500000000, 0.0004561800000000 ] - [ 0.0016892900000000, 0.0063773200000000, 0.0012927200000000 ] - [ 0.0025735900000000, -0.0036281500000000, -0.0019454900000000 ] - [ 0.0023908200000000, -0.0036322100000000, -0.0007820400000000 ] - [ -0.0016784400000000, 0.0010897500000000, 0.0022440000000000 ] - [ -0.0022120800000000, 0.0027468900000000, 0.0024685600000000 ] - [ -0.0042584000000000, -0.0021987000000000, 0.0003645900000000 ] - [ -0.0025473100000000, -0.0021614900000000, 0.0019954400000000 ] - [ -0.0013926300000000, -0.0017425600000000, -0.0002865200000000 ] - [ -0.0015771600000000, -0.0035180100000000, 0.0008316600000000 ] - [ -0.0015529300000000, 0.0030736700000000, 0.0013590500000000 ] - [ -0.0016419300000000, 0.0032642700000000, 0.0015049000000000 ] - [ -0.0131443500000000, 0.0181792000000000, -0.0244416900000000 ] - [ -0.0139111100000000, 0.0191387900000000, -0.0232124200000000 ] - [ -0.0157475400000000, -0.0178912900000000, -0.0221751500000000 ] - [ -0.0138886600000000, -0.0192122900000000, -0.0231524600000000 ] - [ -0.0123246400000000, -0.0048117600000000, 0.0271847200000000 ] - [ -0.0042534200000000, 0.0047302200000000, 0.0015283900000000 ] - [ -0.0048398800000000, -0.0046439800000000, 0.0013342100000000 ] - [ -0.0044113800000000, -0.0044096800000000, 0.0012536800000000 ] - [ 0.0168492200000000, 0.0208962100000000, 0.0284247400000000 ] - [ 0.0188121700000000, 0.0214693100000000, 0.0284863400000000 ] - [ 0.0188959500000000, -0.0214965200000000, 0.0282772600000000 ] - [ 0.0193034100000000, -0.0209602200000000, 0.0282652800000000 ] - [ 0.0029617200000000, 0.0039753500000000, 0.0001874100000000 ] - [ 0.0024086000000000, 0.0036316400000000, -0.0003294300000000 ] - [ 0.0021612900000000, -0.0035770800000000, -0.0007786700000000 ] - [ 0.0020498100000000, -0.0036297100000000, -0.0009439000000000 ] - [ -0.0028817400000000, -0.0013582200000000, -0.0016369200000000 ] - [ -0.0027127000000000, 0.0004505200000000, -0.0016979600000000 ] - [ 0.0005937300000000, 0.0027330400000000, -0.0024061200000000 ] - [ -0.0026401000000000, 0.0008042200000000, -0.0025011800000000 ] - [ 0.0083377300000000, -0.0015078900000000, 0.0020434800000000 ] - [ -0.0030311100000000, -0.0006809500000000, -0.0021581300000000 ] - [ -0.0031727500000000, 0.0017806400000000, -0.0019100500000000 ] - [ -0.0030456900000000, 0.0003039900000000, -0.0024058400000000 ] - [ 0.0035594100000000, 0.0023492800000000, -0.0087181000000000 ] - [ 0.0036617200000000, 0.0006750100000000, -0.0091204900000000 ] - [ 0.0032428200000000, -0.0022250300000000, -0.0077416900000000 ] - [ 0.0035782100000000, -0.0021020100000000, -0.0083034300000000 ] - [ -0.0004384400000000, -0.0003038100000000, -0.0041893200000000 ] - [ -0.0004564100000000, -0.0040980100000000, -0.0002345400000000 ] - [ -0.0009976500000000, 0.0038307000000000, 0.0000946600000000 ] - [ -0.0007894700000000, 0.0036287500000000, 0.0014058000000000 ] - [ 0.0024536400000000, -0.0020023100000000, 0.0007646200000000 ] - [ 0.0011772700000000, -0.0015756800000000, 0.0010637400000000 ] - [ 0.0021054600000000, 0.0029784100000000, 0.0056493300000000 ] - [ 0.0012156900000000, 0.0011630100000000, 0.0011429400000000 ] - [ 0.0240127200000000, -0.0058460700000000, -0.0446931400000000 ] - [ 0.0004425800000000, -0.0043416200000000, 0.0001987800000000 ] - [ 0.0013302100000000, 0.0037638000000000, 0.0007115000000000 ] - [ 0.0005006700000000, 0.0042293100000000, 0.0001741600000000 ] - [ -0.0009840900000000, 0.0003020000000000, -0.0075060300000000 ] - [ 0.0036637300000000, 0.0022867100000000, -0.0084341600000000 ] - [ 0.0040440100000000, -0.0025207400000000, -0.0081988000000000 ] - [ 0.0036837900000000, -0.0010768100000000, -0.0076630800000000 ] - [ -0.0016709800000000, -0.0046974300000000, -0.0008791900000000 ] - [ -0.0011436900000000, -0.0037811900000000, -0.0001983900000000 ] - [ -0.0012813700000000, 0.0034421200000000, 0.0023540900000000 ] - [ -0.0010555700000000, 0.0040072900000000, 0.0002937400000000 ] - [ -0.0007790500000000, -0.0065208800000000, 0.0003562700000000 ] - [ 0.0013374300000000, -0.0004243100000000, 0.0004538000000000 ] - [ 0.0008570000000000, 0.0015649200000000, 0.0013450400000000 ] - [ 0.0009067400000000, 0.0014394800000000, 0.0013089200000000 ] - [ 0.0000359300000000, -0.0041536700000000, -0.0004402100000000 ] - [ 0.0002688000000000, -0.0042624400000000, -0.0003551000000000 ] - [ -0.0001292800000000, 0.0041520500000000, 0.0011432600000000 ] - [ 0.0003468300000000, 0.0043291900000000, 0.0007527200000000 ]- atom: 69 displacement: [ 0.0034429113111456, 0.0000000000000000, -0.0093886293836526 ] forces: - [ 0.0013098400000000, 0.0038835500000000, 0.0020213600000000 ] - [ -0.0026047300000000, 0.0023204200000000, 0.0020584900000000 ] - [ -0.0025640500000000, -0.0023209700000000, 0.0023402800000000 ] - [ -0.0026082800000000, -0.0020906000000000, 0.0026290700000000 ] - [ -0.0014022700000000, -0.0031756400000000, 0.0017273300000000 ] - [ -0.0016466700000000, -0.0032079900000000, 0.0012742200000000 ] - [ 0.0143069000000000, -0.0074177000000000, -0.0125770700000000 ] - [ -0.0013367800000000, 0.0033855800000000, 0.0009674400000000 ] - [ -0.0140057600000000, 0.0189812100000000, -0.0232100600000000 ] - [ -0.0128941200000000, 0.0186357100000000, -0.0218939800000000 ] - [ -0.0141478800000000, -0.0185972500000000, -0.0230351700000000 ] - [ -0.0139971100000000, -0.0191621200000000, -0.0231450200000000 ] - [ -0.0045638000000000, 0.0041966200000000, 0.0012875200000000 ] - [ -0.0044208200000000, 0.0047619900000000, 0.0011730700000000 ] - [ -0.0046320800000000, -0.0032713600000000, 0.0023689000000000 ] - [ -0.0045084300000000, -0.0047248000000000, 0.0015640400000000 ] - [ 0.0178665900000000, 0.0208022400000000, 0.0286342400000000 ] - [ 0.0190370500000000, 0.0215023000000000, 0.0284267100000000 ] - [ 0.0197106200000000, -0.0209978500000000, 0.0285723400000000 ] - [ 0.0187957100000000, -0.0214169200000000, 0.0283204700000000 ] - [ 0.0026928000000000, 0.0034760800000000, -0.0014550400000000 ] - [ 0.0029209100000000, 0.0011976700000000, -0.0022536000000000 ] - [ 0.0020655100000000, -0.0037015700000000, 0.0009465300000000 ] - [ 0.0022453000000000, -0.0036922100000000, -0.0002163800000000 ] - [ -0.0033459200000000, 0.0033208500000000, 0.0019633400000000 ] - [ -0.0028111500000000, 0.0016666000000000, 0.0017405800000000 ] - [ -0.0007727900000000, -0.0022148900000000, 0.0038389000000000 ] - [ -0.0024781700000000, -0.0022504500000000, 0.0022125000000000 ] - [ -0.0019234700000000, -0.0046075800000000, 0.0027696500000000 ] - [ -0.0017371700000000, -0.0028320700000000, 0.0016529500000000 ] - [ -0.0017611800000000, 0.0032814300000000, 0.0011238900000000 ] - [ -0.0016708400000000, 0.0030856500000000, 0.0009784400000000 ] - [ -0.0148553900000000, 0.0197377300000000, -0.0218485100000000 ] - [ -0.0140805100000000, 0.0187721500000000, -0.0230818500000000 ] - [ -0.0122407300000000, -0.0200201500000000, -0.0241171000000000 ] - [ -0.0141051400000000, -0.0186986700000000, -0.0231435500000000 ] - [ 0.0036686100000000, 0.0142753500000000, -0.0258195500000000 ] - [ -0.0045815300000000, 0.0040388300000000, 0.0010447300000000 ] - [ -0.0039956500000000, -0.0041294300000000, 0.0012503800000000 ] - [ -0.0044247900000000, -0.0043588300000000, 0.0013217100000000 ] - [ 0.0207443200000000, 0.0217687100000000, 0.0285477100000000 ] - [ 0.0187912400000000, 0.0212004000000000, 0.0284937200000000 ] - [ 0.0187082200000000, -0.0211724900000000, 0.0287016100000000 ] - [ 0.0183004800000000, -0.0217130800000000, 0.0287158600000000 ] - [ 0.0016761100000000, 0.0033506300000000, -0.0011878300000000 ] - [ 0.0022270300000000, 0.0036959000000000, -0.0006696500000000 ] - [ 0.0024730200000000, -0.0037497100000000, -0.0002190000000000 ] - [ 0.0025827100000000, -0.0036980200000000, -0.0000569600000000 ] - [ -0.0024709100000000, -0.0002014600000000, -0.0029677400000000 ] - [ -0.0026364300000000, -0.0020190800000000, -0.0029041400000000 ] - [ -0.0059162100000000, -0.0011416500000000, -0.0022274600000000 ] - [ -0.0027105900000000, 0.0007609700000000, -0.0021025600000000 ] - [ -0.0137145300000000, -0.0000442800000000, -0.0066743100000000 ] - [ -0.0023217000000000, -0.0008785700000000, -0.0024440000000000 ] - [ -0.0021795100000000, -0.0002203900000000, -0.0026876700000000 ] - [ -0.0023138600000000, 0.0012648900000000, -0.0021971100000000 ] - [ 0.0035808200000000, 0.0017088800000000, -0.0081315000000000 ] - [ 0.0034779200000000, 0.0033850000000000, -0.0077381500000000 ] - [ 0.0038924900000000, -0.0018371500000000, -0.0091081500000000 ] - [ 0.0035589400000000, -0.0019649700000000, -0.0085434800000000 ] - [ -0.0016193300000000, -0.0073562700000000, 0.0041355300000000 ] - [ -0.0016029000000000, -0.0035664200000000, 0.0001835300000000 ] - [ -0.0010649200000000, 0.0038335700000000, -0.0001423200000000 ] - [ -0.0012701000000000, 0.0040338700000000, -0.0014409400000000 ] - [ -0.0002310300000000, -0.0009319500000000, 0.0016237000000000 ] - [ 0.0010408500000000, -0.0013585900000000, 0.0013246700000000 ] - [ 0.0000948900000000, -0.0000287500000000, -0.0032468200000000 ] - [ 0.0010029000000000, 0.0017674700000000, 0.0012447300000000 ] - [ -0.0223294600000000, -0.0040817100000000, 0.0456481100000000 ] - [ 0.0005479900000000, -0.0041508400000000, -0.0000444800000000 ] - [ -0.0003361900000000, 0.0047269300000000, -0.0005597900000000 ] - [ 0.0004898400000000, 0.0042623900000000, -0.0000203900000000 ] - [ 0.0081248100000000, 0.0037726000000000, -0.0093325700000000 ] - [ 0.0034734700000000, 0.0017770300000000, -0.0084118900000000 ] - [ 0.0030941700000000, -0.0015451300000000, -0.0086488400000000 ] - [ 0.0034486600000000, -0.0029843400000000, -0.0091805700000000 ] - [ -0.0003992200000000, -0.0029594900000000, 0.0008455600000000 ] - [ -0.0009194000000000, -0.0038866900000000, 0.0001523800000000 ] - [ -0.0007817500000000, 0.0042215800000000, -0.0023979500000000 ] - [ -0.0010075500000000, 0.0036549900000000, -0.0003418900000000 ] - [ 0.0030024800000000, 0.0035957000000000, 0.0020269600000000 ] - [ 0.0008816300000000, -0.0025215400000000, 0.0019338100000000 ] - [ 0.0013618700000000, 0.0013672600000000, 0.0010423200000000 ] - [ 0.0013123100000000, 0.0014967900000000, 0.0010786600000000 ] - [ 0.0009527800000000, -0.0043404800000000, 0.0005958300000000 ] - [ 0.0007201800000000, -0.0042309000000000, 0.0005101600000000 ] - [ 0.0011182100000000, 0.0043387000000000, -0.0009909000000000 ] - [ 0.0006426600000000, 0.0041667700000000, -0.0005980200000000 ]