# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/6d0390f3-642f-433c-9cf6-eabbcf0beaa3/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 HoCuPbSe3 / Pnma (62) / materials id 6244](https://mdr.nims.go.jp/datasets/250ac20e-4878-4e2a-abea-188dbaf49190) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Pnma" number: 62 Hall_symbol: "-P 2ac 2n"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 10.402020980000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 3.989197450000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 13.366339750000000 ] # c points: - symbol: Cu # 1 coordinates: [ 0.237938660000000, 0.250000000000000, 0.279888070000000 ] mass: 63.546000 - symbol: Cu # 2 coordinates: [ 0.762061340000000, 0.750000000000000, 0.720111930000000 ] mass: 63.546000 - symbol: Cu # 3 coordinates: [ 0.737938660000000, 0.250000000000000, 0.220111930000000 ] mass: 63.546000 - symbol: Cu # 4 coordinates: [ 0.262061340000000, 0.750000000000000, 0.779888070000000 ] mass: 63.546000 - symbol: Se # 5 coordinates: [ 0.952911130000000, 0.750000000000000, 0.612872410000000 ] mass: 78.960000 - symbol: Se # 6 coordinates: [ 0.047088870000000, 0.250000000000000, 0.387127590000000 ] mass: 78.960000 - symbol: Se # 7 coordinates: [ 0.452911130000000, 0.750000000000000, 0.887127590000000 ] mass: 78.960000 - symbol: Se # 8 coordinates: [ 0.547088870000000, 0.250000000000000, 0.112872410000000 ] mass: 78.960000 - symbol: Se # 9 coordinates: [ 0.917288330000000, 0.250000000000000, 0.104719220000000 ] mass: 78.960000 - symbol: Se # 10 coordinates: [ 0.082711670000000, 0.750000000000000, 0.895280780000000 ] mass: 78.960000 - symbol: Se # 11 coordinates: [ 0.417288330000000, 0.250000000000000, 0.395280780000000 ] mass: 78.960000 - symbol: Se # 12 coordinates: [ 0.582711670000000, 0.750000000000000, 0.604719220000000 ] mass: 78.960000 - symbol: Se # 13 coordinates: [ 0.735211120000000, 0.750000000000000, 0.329652510000000 ] mass: 78.960000 - symbol: Se # 14 coordinates: [ 0.264788880000000, 0.250000000000000, 0.670347490000000 ] mass: 78.960000 - symbol: Se # 15 coordinates: [ 0.235211120000000, 0.750000000000000, 0.170347490000000 ] mass: 78.960000 - symbol: Se # 16 coordinates: [ 0.764788880000000, 0.250000000000000, 0.829652510000000 ] mass: 78.960000 - symbol: Ho # 17 coordinates: [ 0.481822650000000, 0.750000000000000, 0.255981930000000 ] mass: 164.930320 - symbol: Ho # 18 coordinates: [ 0.518177350000000, 0.250000000000000, 0.744018070000000 ] mass: 164.930320 - symbol: Ho # 19 coordinates: [ 0.981822650000000, 0.750000000000000, 0.244018070000000 ] mass: 164.930320 - symbol: Ho # 20 coordinates: [ 0.018177350000000, 0.250000000000000, 0.755981930000000 ] mass: 164.930320 - symbol: Pb # 21 coordinates: [ 0.225977300000000, 0.750000000000000, 0.493592030000000 ] mass: 207.200000 - symbol: Pb # 22 coordinates: [ 0.774022700000000, 0.250000000000000, 0.506407970000000 ] mass: 207.200000 - symbol: Pb # 23 coordinates: [ 0.725977300000000, 0.750000000000000, 0.006407970000000 ] mass: 207.200000 - symbol: Pb # 24 coordinates: [ 0.274022700000000, 0.250000000000000, 0.993592030000000 ] mass: 207.200000 reciprocal_lattice: # without 2pi - [ 0.096135164687968, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.250676987673298, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.074814797371883 ] # c*unit_cell: lattice: - [ 10.402020980000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 3.989197450000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 13.366339750000000 ] # c points: - symbol: Cu # 1 coordinates: [ 0.237938660000000, 0.250000000000000, 0.279888070000000 ] mass: 63.546000 reduced_to: 1 - symbol: Cu # 2 coordinates: [ 0.762061340000000, 0.750000000000000, 0.720111930000000 ] mass: 63.546000 reduced_to: 2 - symbol: Cu # 3 coordinates: [ 0.737938660000000, 0.250000000000000, 0.220111930000000 ] mass: 63.546000 reduced_to: 3 - symbol: Cu # 4 coordinates: [ 0.262061340000000, 0.750000000000000, 0.779888070000000 ] mass: 63.546000 reduced_to: 4 - symbol: Se # 5 coordinates: [ 0.952911130000000, 0.750000000000000, 0.612872410000000 ] mass: 78.960000 reduced_to: 5 - symbol: Se # 6 coordinates: [ 0.047088870000000, 0.250000000000000, 0.387127590000000 ] mass: 78.960000 reduced_to: 6 - symbol: Se # 7 coordinates: [ 0.452911130000000, 0.750000000000000, 0.887127590000000 ] mass: 78.960000 reduced_to: 7 - symbol: Se # 8 coordinates: [ 0.547088870000000, 0.250000000000000, 0.112872410000000 ] mass: 78.960000 reduced_to: 8 - symbol: Se # 9 coordinates: [ 0.917288330000000, 0.250000000000000, 0.104719220000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 10 coordinates: [ 0.082711670000000, 0.750000000000000, 0.895280780000000 ] mass: 78.960000 reduced_to: 10 - symbol: Se # 11 coordinates: [ 0.417288330000000, 0.250000000000000, 0.395280780000000 ] mass: 78.960000 reduced_to: 11 - symbol: Se # 12 coordinates: [ 0.582711670000000, 0.750000000000000, 0.604719220000000 ] mass: 78.960000 reduced_to: 12 - symbol: Se # 13 coordinates: [ 0.735211120000000, 0.750000000000000, 0.329652510000000 ] mass: 78.960000 reduced_to: 13 - symbol: Se # 14 coordinates: [ 0.264788880000000, 0.250000000000000, 0.670347490000000 ] mass: 78.960000 reduced_to: 14 - symbol: Se # 15 coordinates: [ 0.235211120000000, 0.750000000000000, 0.170347490000000 ] mass: 78.960000 reduced_to: 15 - symbol: Se # 16 coordinates: [ 0.764788880000000, 0.250000000000000, 0.829652510000000 ] mass: 78.960000 reduced_to: 16 - symbol: Ho # 17 coordinates: [ 0.481822650000000, 0.750000000000000, 0.255981930000000 ] mass: 164.930320 reduced_to: 17 - symbol: Ho # 18 coordinates: [ 0.518177350000000, 0.250000000000000, 0.744018070000000 ] mass: 164.930320 reduced_to: 18 - symbol: Ho # 19 coordinates: [ 0.981822650000000, 0.750000000000000, 0.244018070000000 ] mass: 164.930320 reduced_to: 19 - symbol: Ho # 20 coordinates: [ 0.018177350000000, 0.250000000000000, 0.755981930000000 ] mass: 164.930320 reduced_to: 20 - symbol: Pb # 21 coordinates: [ 0.225977300000000, 0.750000000000000, 0.493592030000000 ] mass: 207.200000 reduced_to: 21 - symbol: Pb # 22 coordinates: [ 0.774022700000000, 0.250000000000000, 0.506407970000000 ] mass: 207.200000 reduced_to: 22 - symbol: Pb # 23 coordinates: [ 0.725977300000000, 0.750000000000000, 0.006407970000000 ] mass: 207.200000 reduced_to: 23 - symbol: Pb # 24 coordinates: [ 0.274022700000000, 0.250000000000000, 0.993592030000000 ] mass: 207.200000 reduced_to: 24supercell: lattice: - [ 20.804041959999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 11.967592350000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 13.366339750000000 ] # c points: - symbol: Cu # 1 coordinates: [ 0.118969330000000, 0.083333333333333, 0.279888070000000 ] mass: 63.546000 reduced_to: 1 - symbol: Cu # 2 coordinates: [ 0.618969330000000, 0.083333333333333, 0.279888070000000 ] mass: 63.546000 reduced_to: 1 - symbol: Cu # 3 coordinates: [ 0.118969330000000, 0.416666666666667, 0.279888070000000 ] mass: 63.546000 reduced_to: 1 - symbol: Cu # 4 coordinates: [ 0.618969330000000, 0.416666666666667, 0.279888070000000 ] mass: 63.546000 reduced_to: 1 - symbol: Cu # 5 coordinates: [ 0.118969330000000, 0.750000000000000, 0.279888070000000 ] mass: 63.546000 reduced_to: 1 - symbol: Cu # 6 coordinates: [ 0.618969330000000, 0.750000000000000, 0.279888070000000 ] mass: 63.546000 reduced_to: 1 - symbol: Cu # 7 coordinates: [ 0.381030670000000, 0.250000000000000, 0.720111930000000 ] mass: 63.546000 reduced_to: 7 - symbol: Cu # 8 coordinates: [ 0.881030670000000, 0.250000000000000, 0.720111930000000 ] mass: 63.546000 reduced_to: 7 - symbol: Cu # 9 coordinates: [ 0.381030670000000, 0.583333333333333, 0.720111930000000 ] mass: 63.546000 reduced_to: 7 - symbol: Cu # 10 coordinates: [ 0.881030670000000, 0.583333333333333, 0.720111930000000 ] mass: 63.546000 reduced_to: 7 - symbol: Cu # 11 coordinates: [ 0.381030670000000, 0.916666666666667, 0.720111930000000 ] mass: 63.546000 reduced_to: 7 - symbol: Cu # 12 coordinates: [ 0.881030670000000, 0.916666666666667, 0.720111930000000 ] mass: 63.546000 reduced_to: 7 - symbol: Cu # 13 coordinates: [ 0.368969330000000, 0.083333333333333, 0.220111930000000 ] mass: 63.546000 reduced_to: 13 - symbol: Cu # 14 coordinates: [ 0.868969330000000, 0.083333333333333, 0.220111930000000 ] mass: 63.546000 reduced_to: 13 - symbol: Cu # 15 coordinates: [ 0.368969330000000, 0.416666666666667, 0.220111930000000 ] mass: 63.546000 reduced_to: 13 - symbol: Cu # 16 coordinates: [ 0.868969330000000, 0.416666666666667, 0.220111930000000 ] mass: 63.546000 reduced_to: 13 - symbol: Cu # 17 coordinates: [ 0.368969330000000, 0.750000000000000, 0.220111930000000 ] mass: 63.546000 reduced_to: 13 - symbol: Cu # 18 coordinates: [ 0.868969330000000, 0.750000000000000, 0.220111930000000 ] mass: 63.546000 reduced_to: 13 - symbol: Cu # 19 coordinates: [ 0.131030670000000, 0.250000000000000, 0.779888070000000 ] mass: 63.546000 reduced_to: 19 - symbol: Cu # 20 coordinates: [ 0.631030670000000, 0.250000000000000, 0.779888070000000 ] mass: 63.546000 reduced_to: 19 - symbol: Cu # 21 coordinates: [ 0.131030670000000, 0.583333333333333, 0.779888070000000 ] mass: 63.546000 reduced_to: 19 - symbol: Cu # 22 coordinates: [ 0.631030670000000, 0.583333333333333, 0.779888070000000 ] mass: 63.546000 reduced_to: 19 - symbol: Cu # 23 coordinates: [ 0.131030670000000, 0.916666666666667, 0.779888070000000 ] mass: 63.546000 reduced_to: 19 - symbol: Cu # 24 coordinates: [ 0.631030670000000, 0.916666666666667, 0.779888070000000 ] mass: 63.546000 reduced_to: 19 - symbol: Se # 25 coordinates: [ 0.476455565000000, 0.250000000000000, 0.612872410000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 26 coordinates: [ 0.976455565000000, 0.250000000000000, 0.612872410000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 27 coordinates: [ 0.476455565000000, 0.583333333333333, 0.612872410000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 28 coordinates: [ 0.976455565000000, 0.583333333333333, 0.612872410000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 29 coordinates: [ 0.476455565000000, 0.916666666666667, 0.612872410000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 30 coordinates: [ 0.976455565000000, 0.916666666666667, 0.612872410000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 31 coordinates: [ 0.023544435000000, 0.083333333333333, 0.387127590000000 ] mass: 78.960000 reduced_to: 31 - symbol: Se # 32 coordinates: [ 0.523544435000000, 0.083333333333333, 0.387127590000000 ] mass: 78.960000 reduced_to: 31 - symbol: Se # 33 coordinates: [ 0.023544435000000, 0.416666666666667, 0.387127590000000 ] mass: 78.960000 reduced_to: 31 - symbol: Se # 34 coordinates: [ 0.523544435000000, 0.416666666666667, 0.387127590000000 ] mass: 78.960000 reduced_to: 31 - symbol: Se # 35 coordinates: [ 0.023544435000000, 0.750000000000000, 0.387127590000000 ] mass: 78.960000 reduced_to: 31 - symbol: Se # 36 coordinates: [ 0.523544435000000, 0.750000000000000, 0.387127590000000 ] mass: 78.960000 reduced_to: 31 - symbol: Se # 37 coordinates: [ 0.226455565000000, 0.250000000000000, 0.887127590000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 38 coordinates: [ 0.726455565000000, 0.250000000000000, 0.887127590000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 39 coordinates: [ 0.226455565000000, 0.583333333333333, 0.887127590000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 40 coordinates: [ 0.726455565000000, 0.583333333333333, 0.887127590000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 41 coordinates: [ 0.226455565000000, 0.916666666666667, 0.887127590000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 42 coordinates: [ 0.726455565000000, 0.916666666666667, 0.887127590000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 43 coordinates: [ 0.273544435000000, 0.083333333333333, 0.112872410000000 ] mass: 78.960000 reduced_to: 43 - symbol: Se # 44 coordinates: [ 0.773544435000000, 0.083333333333333, 0.112872410000000 ] mass: 78.960000 reduced_to: 43 - symbol: Se # 45 coordinates: [ 0.273544435000000, 0.416666666666667, 0.112872410000000 ] mass: 78.960000 reduced_to: 43 - symbol: Se # 46 coordinates: [ 0.773544435000000, 0.416666666666667, 0.112872410000000 ] mass: 78.960000 reduced_to: 43 - symbol: Se # 47 coordinates: [ 0.273544435000000, 0.750000000000000, 0.112872410000000 ] mass: 78.960000 reduced_to: 43 - symbol: Se # 48 coordinates: [ 0.773544435000000, 0.750000000000000, 0.112872410000000 ] mass: 78.960000 reduced_to: 43 - symbol: Se # 49 coordinates: [ 0.458644165000000, 0.083333333333333, 0.104719220000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 50 coordinates: [ 0.958644165000000, 0.083333333333333, 0.104719220000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 51 coordinates: [ 0.458644165000000, 0.416666666666667, 0.104719220000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 52 coordinates: [ 0.958644165000000, 0.416666666666667, 0.104719220000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 53 coordinates: [ 0.458644165000000, 0.750000000000000, 0.104719220000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 54 coordinates: [ 0.958644165000000, 0.750000000000000, 0.104719220000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 55 coordinates: [ 0.041355835000000, 0.250000000000000, 0.895280780000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 56 coordinates: [ 0.541355835000000, 0.250000000000000, 0.895280780000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 57 coordinates: [ 0.041355835000000, 0.583333333333333, 0.895280780000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 58 coordinates: [ 0.541355835000000, 0.583333333333333, 0.895280780000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 59 coordinates: [ 0.041355835000000, 0.916666666666667, 0.895280780000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 60 coordinates: [ 0.541355835000000, 0.916666666666667, 0.895280780000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 61 coordinates: [ 0.208644165000000, 0.083333333333333, 0.395280780000000 ] mass: 78.960000 reduced_to: 61 - symbol: Se # 62 coordinates: [ 0.708644165000000, 0.083333333333333, 0.395280780000000 ] mass: 78.960000 reduced_to: 61 - symbol: Se # 63 coordinates: [ 0.208644165000000, 0.416666666666667, 0.395280780000000 ] mass: 78.960000 reduced_to: 61 - symbol: Se # 64 coordinates: [ 0.708644165000000, 0.416666666666667, 0.395280780000000 ] mass: 78.960000 reduced_to: 61 - symbol: Se # 65 coordinates: [ 0.208644165000000, 0.750000000000000, 0.395280780000000 ] mass: 78.960000 reduced_to: 61 - symbol: Se # 66 coordinates: [ 0.708644165000000, 0.750000000000000, 0.395280780000000 ] mass: 78.960000 reduced_to: 61 - symbol: Se # 67 coordinates: [ 0.291355835000000, 0.250000000000000, 0.604719220000000 ] mass: 78.960000 reduced_to: 67 - symbol: Se # 68 coordinates: [ 0.791355835000000, 0.250000000000000, 0.604719220000000 ] mass: 78.960000 reduced_to: 67 - symbol: Se # 69 coordinates: [ 0.291355835000000, 0.583333333333333, 0.604719220000000 ] mass: 78.960000 reduced_to: 67 - symbol: Se # 70 coordinates: [ 0.791355835000000, 0.583333333333333, 0.604719220000000 ] mass: 78.960000 reduced_to: 67 - symbol: Se # 71 coordinates: [ 0.291355835000000, 0.916666666666667, 0.604719220000000 ] mass: 78.960000 reduced_to: 67 - symbol: Se # 72 coordinates: [ 0.791355835000000, 0.916666666666667, 0.604719220000000 ] mass: 78.960000 reduced_to: 67 - symbol: Se # 73 coordinates: [ 0.367605560000000, 0.250000000000000, 0.329652510000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 74 coordinates: [ 0.867605560000000, 0.250000000000000, 0.329652510000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 75 coordinates: [ 0.367605560000000, 0.583333333333333, 0.329652510000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 76 coordinates: [ 0.867605560000000, 0.583333333333333, 0.329652510000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 77 coordinates: [ 0.367605560000000, 0.916666666666667, 0.329652510000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 78 coordinates: [ 0.867605560000000, 0.916666666666667, 0.329652510000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 79 coordinates: [ 0.132394440000000, 0.083333333333333, 0.670347490000000 ] mass: 78.960000 reduced_to: 79 - symbol: Se # 80 coordinates: [ 0.632394440000000, 0.083333333333333, 0.670347490000000 ] mass: 78.960000 reduced_to: 79 - symbol: Se # 81 coordinates: [ 0.132394440000000, 0.416666666666667, 0.670347490000000 ] mass: 78.960000 reduced_to: 79 - symbol: Se # 82 coordinates: [ 0.632394440000000, 0.416666666666667, 0.670347490000000 ] mass: 78.960000 reduced_to: 79 - symbol: Se # 83 coordinates: [ 0.132394440000000, 0.750000000000000, 0.670347490000000 ] mass: 78.960000 reduced_to: 79 - symbol: Se # 84 coordinates: [ 0.632394440000000, 0.750000000000000, 0.670347490000000 ] mass: 78.960000 reduced_to: 79 - symbol: Se # 85 coordinates: [ 0.117605560000000, 0.250000000000000, 0.170347490000000 ] mass: 78.960000 reduced_to: 85 - symbol: Se # 86 coordinates: [ 0.617605560000000, 0.250000000000000, 0.170347490000000 ] mass: 78.960000 reduced_to: 85 - symbol: Se # 87 coordinates: [ 0.117605560000000, 0.583333333333333, 0.170347490000000 ] mass: 78.960000 reduced_to: 85 - symbol: Se # 88 coordinates: [ 0.617605560000000, 0.583333333333333, 0.170347490000000 ] mass: 78.960000 reduced_to: 85 - symbol: Se # 89 coordinates: [ 0.117605560000000, 0.916666666666667, 0.170347490000000 ] mass: 78.960000 reduced_to: 85 - symbol: Se # 90 coordinates: [ 0.617605560000000, 0.916666666666667, 0.170347490000000 ] mass: 78.960000 reduced_to: 85 - symbol: Se # 91 coordinates: [ 0.382394440000000, 0.083333333333333, 0.829652510000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 92 coordinates: [ 0.882394440000000, 0.083333333333333, 0.829652510000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 93 coordinates: [ 0.382394440000000, 0.416666666666667, 0.829652510000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 94 coordinates: [ 0.882394440000000, 0.416666666666667, 0.829652510000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 95 coordinates: [ 0.382394440000000, 0.750000000000000, 0.829652510000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 96 coordinates: [ 0.882394440000000, 0.750000000000000, 0.829652510000000 ] mass: 78.960000 reduced_to: 91 - symbol: Ho # 97 coordinates: [ 0.240911325000000, 0.250000000000000, 0.255981930000000 ] mass: 164.930320 reduced_to: 97 - symbol: Ho # 98 coordinates: [ 0.740911325000000, 0.250000000000000, 0.255981930000000 ] mass: 164.930320 reduced_to: 97 - symbol: Ho # 99 coordinates: [ 0.240911325000000, 0.583333333333333, 0.255981930000000 ] mass: 164.930320 reduced_to: 97 - symbol: Ho # 100 coordinates: [ 0.740911325000000, 0.583333333333333, 0.255981930000000 ] mass: 164.930320 reduced_to: 97 - symbol: Ho # 101 coordinates: [ 0.240911325000000, 0.916666666666667, 0.255981930000000 ] mass: 164.930320 reduced_to: 97 - symbol: Ho # 102 coordinates: [ 0.740911325000000, 0.916666666666667, 0.255981930000000 ] mass: 164.930320 reduced_to: 97 - symbol: Ho # 103 coordinates: [ 0.259088675000000, 0.083333333333333, 0.744018070000000 ] mass: 164.930320 reduced_to: 103 - symbol: Ho # 104 coordinates: [ 0.759088675000000, 0.083333333333333, 0.744018070000000 ] mass: 164.930320 reduced_to: 103 - symbol: Ho # 105 coordinates: [ 0.259088675000000, 0.416666666666667, 0.744018070000000 ] mass: 164.930320 reduced_to: 103 - symbol: Ho # 106 coordinates: [ 0.759088675000000, 0.416666666666667, 0.744018070000000 ] mass: 164.930320 reduced_to: 103 - symbol: Ho # 107 coordinates: [ 0.259088675000000, 0.750000000000000, 0.744018070000000 ] mass: 164.930320 reduced_to: 103 - symbol: Ho # 108 coordinates: [ 0.759088675000000, 0.750000000000000, 0.744018070000000 ] mass: 164.930320 reduced_to: 103 - symbol: Ho # 109 coordinates: [ 0.490911325000000, 0.250000000000000, 0.244018070000000 ] mass: 164.930320 reduced_to: 109 - symbol: Ho # 110 coordinates: [ 0.990911325000000, 0.250000000000000, 0.244018070000000 ] mass: 164.930320 reduced_to: 109 - symbol: Ho # 111 coordinates: [ 0.490911325000000, 0.583333333333333, 0.244018070000000 ] mass: 164.930320 reduced_to: 109 - symbol: Ho # 112 coordinates: [ 0.990911325000000, 0.583333333333333, 0.244018070000000 ] mass: 164.930320 reduced_to: 109 - symbol: Ho # 113 coordinates: [ 0.490911325000000, 0.916666666666667, 0.244018070000000 ] mass: 164.930320 reduced_to: 109 - symbol: Ho # 114 coordinates: [ 0.990911325000000, 0.916666666666667, 0.244018070000000 ] mass: 164.930320 reduced_to: 109 - symbol: Ho # 115 coordinates: [ 0.009088675000000, 0.083333333333333, 0.755981930000000 ] mass: 164.930320 reduced_to: 115 - symbol: Ho # 116 coordinates: [ 0.509088675000000, 0.083333333333333, 0.755981930000000 ] mass: 164.930320 reduced_to: 115 - symbol: Ho # 117 coordinates: [ 0.009088675000000, 0.416666666666667, 0.755981930000000 ] mass: 164.930320 reduced_to: 115 - symbol: Ho # 118 coordinates: [ 0.509088675000000, 0.416666666666667, 0.755981930000000 ] mass: 164.930320 reduced_to: 115 - symbol: Ho # 119 coordinates: [ 0.009088675000000, 0.750000000000000, 0.755981930000000 ] mass: 164.930320 reduced_to: 115 - symbol: Ho # 120 coordinates: [ 0.509088675000000, 0.750000000000000, 0.755981930000000 ] mass: 164.930320 reduced_to: 115 - symbol: Pb # 121 coordinates: [ 0.112988650000000, 0.250000000000000, 0.493592030000000 ] mass: 207.200000 reduced_to: 121 - symbol: Pb # 122 coordinates: [ 0.612988650000000, 0.250000000000000, 0.493592030000000 ] mass: 207.200000 reduced_to: 121 - symbol: Pb # 123 coordinates: [ 0.112988650000000, 0.583333333333333, 0.493592030000000 ] mass: 207.200000 reduced_to: 121 - symbol: Pb # 124 coordinates: [ 0.612988650000000, 0.583333333333333, 0.493592030000000 ] mass: 207.200000 reduced_to: 121 - symbol: Pb # 125 coordinates: [ 0.112988650000000, 0.916666666666667, 0.493592030000000 ] mass: 207.200000 reduced_to: 121 - symbol: Pb # 126 coordinates: [ 0.612988650000000, 0.916666666666667, 0.493592030000000 ] mass: 207.200000 reduced_to: 121 - symbol: Pb # 127 coordinates: [ 0.387011350000000, 0.083333333333333, 0.506407970000000 ] mass: 207.200000 reduced_to: 127 - symbol: Pb # 128 coordinates: [ 0.887011350000000, 0.083333333333333, 0.506407970000000 ] mass: 207.200000 reduced_to: 127 - symbol: Pb # 129 coordinates: [ 0.387011350000000, 0.416666666666667, 0.506407970000000 ] mass: 207.200000 reduced_to: 127 - symbol: Pb # 130 coordinates: [ 0.887011350000000, 0.416666666666667, 0.506407970000000 ] mass: 207.200000 reduced_to: 127 - symbol: Pb # 131 coordinates: [ 0.387011350000000, 0.750000000000000, 0.506407970000000 ] mass: 207.200000 reduced_to: 127 - symbol: Pb # 132 coordinates: [ 0.887011350000000, 0.750000000000000, 0.506407970000000 ] mass: 207.200000 reduced_to: 127 - symbol: Pb # 133 coordinates: [ 0.362988650000000, 0.250000000000000, 0.006407970000000 ] mass: 207.200000 reduced_to: 133 - symbol: Pb # 134 coordinates: [ 0.862988650000000, 0.250000000000000, 0.006407970000000 ] mass: 207.200000 reduced_to: 133 - symbol: Pb # 135 coordinates: [ 0.362988650000000, 0.583333333333333, 0.006407970000000 ] mass: 207.200000 reduced_to: 133 - symbol: Pb # 136 coordinates: [ 0.862988650000000, 0.583333333333333, 0.006407970000000 ] mass: 207.200000 reduced_to: 133 - symbol: Pb # 137 coordinates: [ 0.362988650000000, 0.916666666666667, 0.006407970000000 ] mass: 207.200000 reduced_to: 133 - symbol: Pb # 138 coordinates: [ 0.862988650000000, 0.916666666666667, 0.006407970000000 ] mass: 207.200000 reduced_to: 133 - symbol: Pb # 139 coordinates: [ 0.137011350000000, 0.083333333333333, 0.993592030000000 ] mass: 207.200000 reduced_to: 139 - symbol: Pb # 140 coordinates: [ 0.637011350000000, 0.083333333333333, 0.993592030000000 ] mass: 207.200000 reduced_to: 139 - symbol: Pb # 141 coordinates: [ 0.137011350000000, 0.416666666666667, 0.993592030000000 ] mass: 207.200000 reduced_to: 139 - symbol: Pb # 142 coordinates: [ 0.637011350000000, 0.416666666666667, 0.993592030000000 ] mass: 207.200000 reduced_to: 139 - symbol: Pb # 143 coordinates: [ 0.137011350000000, 0.750000000000000, 0.993592030000000 ] mass: 207.200000 reduced_to: 139 - symbol: Pb # 144 coordinates: [ 0.637011350000000, 0.750000000000000, 0.993592030000000 ] mass: 207.200000 reduced_to: 139born_effective_charge:- # 1 (Cu) - [ 0.351420450000000, 0.000000000000000, -0.203197450000000 ] - [ 0.000000000000000, 0.892696330000000, 0.000000000000000 ] - [ -0.155115640000000, 0.000000000000000, 0.789664610000000 ]- # 2 (Cu) - [ 0.351420450000000, 0.000000000000000, -0.203197450000000 ] - [ 0.000000000000000, 0.892696330000000, 0.000000000000000 ] - [ -0.155115640000000, 0.000000000000000, 0.789664610000000 ]- # 3 (Cu) - [ 0.351420450000000, 0.000000000000000, 0.203197450000000 ] - [ 0.000000000000000, 0.892696330000000, 0.000000000000000 ] - [ 0.155115640000000, 0.000000000000000, 0.789664610000000 ]- # 4 (Cu) - [ 0.351420450000000, 0.000000000000000, 0.203197450000000 ] - [ 0.000000000000000, 0.892696330000000, 0.000000000000000 ] - [ 0.155115640000000, 0.000000000000000, 0.789664610000000 ]- # 5 (Se) - [ -3.015362470000000, 0.000000000000000, -0.693084610000000 ] - [ 0.000000000000000, -3.846821530000000, 0.000000000000000 ] - [ -0.097342910000000, 0.000000000000000, -3.148999760000000 ]- # 6 (Se) - [ -3.015362470000000, 0.000000000000000, -0.693084610000000 ] - [ 0.000000000000000, -3.846821530000000, 0.000000000000000 ] - [ -0.097342910000000, 0.000000000000000, -3.148999760000000 ]- # 7 (Se) - [ -3.015362470000000, 0.000000000000000, 0.693084610000000 ] - [ 0.000000000000000, -3.846821530000000, 0.000000000000000 ] - [ 0.097342910000000, 0.000000000000000, -3.148999760000000 ]- # 8 (Se) - [ -3.015362470000000, 0.000000000000000, 0.693084610000000 ] - [ 0.000000000000000, -3.846821530000000, 0.000000000000000 ] - [ 0.097342910000000, 0.000000000000000, -3.148999760000000 ]- # 9 (Se) - [ -2.539389290000000, 0.000000000000000, -1.397779930000000 ] - [ 0.000000000000000, -3.844066410000000, 0.000000000000000 ] - [ -0.717085310000000, 0.000000000000000, -2.820499130000000 ]- # 10 (Se) - [ -2.539389290000000, 0.000000000000000, -1.397779930000000 ] - [ 0.000000000000000, -3.844066410000000, 0.000000000000000 ] - [ -0.717085310000000, 0.000000000000000, -2.820499130000000 ]- # 11 (Se) - [ -2.539389290000000, 0.000000000000000, 1.397779930000000 ] - [ 0.000000000000000, -3.844066410000000, 0.000000000000000 ] - [ 0.717085310000000, 0.000000000000000, -2.820499130000000 ]- # 12 (Se) - [ -2.539389290000000, 0.000000000000000, 1.397779930000000 ] - [ 0.000000000000000, -3.844066410000000, 0.000000000000000 ] - [ 0.717085310000000, 0.000000000000000, -2.820499130000000 ]- # 13 (Se) - [ -3.734938170000000, 0.000000000000000, -0.472825650000000 ] - [ 0.000000000000000, -2.760685710000000, 0.000000000000000 ] - [ -0.223731900000000, 0.000000000000000, -2.816630960000000 ]- # 14 (Se) - [ -3.734938170000000, 0.000000000000000, -0.472825650000000 ] - [ 0.000000000000000, -2.760685710000000, 0.000000000000000 ] - [ -0.223731900000000, 0.000000000000000, -2.816630960000000 ]- # 15 (Se) - [ -3.734938170000000, 0.000000000000000, 0.472825650000000 ] - [ 0.000000000000000, -2.760685710000000, 0.000000000000000 ] - [ 0.223731900000000, 0.000000000000000, -2.816630960000000 ]- # 16 (Se) - [ -3.734938170000000, 0.000000000000000, 0.472825650000000 ] - [ 0.000000000000000, -2.760685710000000, 0.000000000000000 ] - [ 0.223731900000000, 0.000000000000000, -2.816630960000000 ]- # 17 (Ho) - [ 4.986072850000000, 0.000000000000000, -1.029382390000000 ] - [ 0.000000000000000, 4.523848170000000, 0.000000000000000 ] - [ 0.399473300000000, 0.000000000000000, 3.346852530000000 ]- # 18 (Ho) - [ 4.986072850000000, 0.000000000000000, -1.029382390000000 ] - [ 0.000000000000000, 4.523848170000000, 0.000000000000000 ] - [ 0.399473300000000, 0.000000000000000, 3.346852530000000 ]- # 19 (Ho) - [ 4.986072850000000, 0.000000000000000, 1.029382390000000 ] - [ 0.000000000000000, 4.523848170000000, 0.000000000000000 ] - [ -0.399473300000000, 0.000000000000000, 3.346852530000000 ]- # 20 (Ho) - [ 4.986072850000000, 0.000000000000000, 1.029382390000000 ] - [ 0.000000000000000, 4.523848170000000, 0.000000000000000 ] - [ -0.399473300000000, 0.000000000000000, 3.346852530000000 ]- # 21 (Pb) - [ 3.952196620000000, 0.000000000000000, -0.032245100000000 ] - [ 0.000000000000000, 5.035029150000000, 0.000000000000000 ] - [ -0.420591730000000, 0.000000000000000, 4.649612690000000 ]- # 22 (Pb) - [ 3.952196620000000, 0.000000000000000, -0.032245100000000 ] - [ 0.000000000000000, 5.035029150000000, 0.000000000000000 ] - [ -0.420591730000000, 0.000000000000000, 4.649612690000000 ]- # 23 (Pb) - [ 3.952196620000000, 0.000000000000000, 0.032245100000000 ] - [ 0.000000000000000, 5.035029150000000, 0.000000000000000 ] - [ 0.420591730000000, 0.000000000000000, 4.649612690000000 ]- # 24 (Pb) - [ 3.952196620000000, 0.000000000000000, 0.032245100000000 ] - [ 0.000000000000000, 5.035029150000000, 0.000000000000000 ] - [ 0.420591730000000, 0.000000000000000, 4.649612690000000 ]dielectric_constant: - [ 12.491021959999999, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 13.848265030000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 12.023570650000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0433294300000000, 0.0000000000000000, -0.0043563700000000 ] - [ 0.0001400700000000, 0.0000000000000000, 0.0001275800000000 ] - [ 0.0002348400000000, -0.0000152300000000, 0.0001916600000000 ] - [ 0.0001119600000000, -0.0000004700000000, 0.0001300000000000 ] - [ 0.0002348400000000, 0.0000152300000000, 0.0001916600000000 ] - [ 0.0001119600000000, 0.0000004700000000, 0.0001300000000000 ] - [ -0.0000583800000000, -0.0000315000000000, -0.0001302600000000 ] - [ -0.0001681100000000, 0.0000460500000000, -0.0001160000000000 ] - [ -0.0001006400000000, 0.0000000000000000, -0.0001418300000000 ] - [ -0.0001084300000000, 0.0000000000000000, -0.0001493400000000 ] - [ -0.0000583800000000, 0.0000315000000000, -0.0001302600000000 ] - [ -0.0001681100000000, -0.0000460500000000, -0.0001160000000000 ] - [ 0.0000260500000000, 0.0000000000000000, -0.0001098900000000 ] - [ 0.0000270600000000, 0.0000000000000000, -0.0001077600000000 ] - [ 0.0001797300000000, 0.0000701700000000, -0.0001778600000000 ] - [ 0.0001743100000000, -0.0001428900000000, -0.0000635300000000 ] - [ 0.0001797300000000, -0.0000701700000000, -0.0001778600000000 ] - [ 0.0001743100000000, 0.0001428900000000, -0.0000635300000000 ] - [ -0.0000857700000000, 0.0000175700000000, 0.0001344100000000 ] - [ -0.0001285900000000, 0.0000023900000000, 0.0001361700000000 ] - [ -0.0000907500000000, 0.0000000000000000, 0.0001249700000000 ] - [ -0.0001156700000000, 0.0000000000000000, 0.0001238100000000 ] - [ -0.0000857700000000, -0.0000175700000000, 0.0001344100000000 ] - [ -0.0001285900000000, -0.0000023900000000, 0.0001361700000000 ] - [ 0.0013987900000000, -0.0000373300000000, 0.0091559800000000 ] - [ 0.0015877500000000, 0.0001978900000000, 0.0093968800000000 ] - [ 0.0014384100000000, 0.0000000000000000, 0.0091684600000000 ] - [ 0.0014907700000000, 0.0000000000000000, 0.0092275900000000 ] - [ 0.0013987900000000, 0.0000373300000000, 0.0091559800000000 ] - [ 0.0015877500000000, -0.0001978900000000, 0.0093968800000000 ] - [ 0.0140965600000000, 0.0000000000000000, -0.0213164300000000 ] - [ -0.0014804800000000, 0.0000000000000000, -0.0091827600000000 ] - [ -0.0014418000000000, 0.0000820700000000, -0.0092850700000000 ] - [ -0.0014919400000000, -0.0000064600000000, -0.0091961400000000 ] - [ -0.0014418000000000, -0.0000820700000000, -0.0092850700000000 ] - [ -0.0014919400000000, 0.0000064600000000, -0.0091961400000000 ] - [ 0.0014775800000000, 0.0000161400000000, -0.0092463900000000 ] - [ 0.0014380400000000, 0.0000069800000000, -0.0091268200000000 ] - [ 0.0014880000000000, 0.0000000000000000, -0.0092444500000000 ] - [ 0.0014073300000000, 0.0000000000000000, -0.0091175300000000 ] - [ 0.0014775800000000, -0.0000161400000000, -0.0092463900000000 ] - [ 0.0014380400000000, -0.0000069800000000, -0.0091268200000000 ] - [ -0.0006758100000000, 0.0000000000000000, 0.0084960500000000 ] - [ -0.0014047000000000, 0.0000000000000000, 0.0091717800000000 ] - [ -0.0014685400000000, 0.0000073900000000, 0.0092254600000000 ] - [ -0.0013742600000000, -0.0000198500000000, 0.0091852600000000 ] - [ -0.0014685400000000, -0.0000073900000000, 0.0092254600000000 ] - [ -0.0013742600000000, 0.0000198500000000, 0.0091852600000000 ] - [ -0.0030037900000000, 0.0000000000000000, 0.0003007300000000 ] - [ -0.0023564100000000, 0.0000000000000000, 0.0007786700000000 ] - [ -0.0030308400000000, 0.0000256900000000, 0.0002872600000000 ] - [ -0.0028684600000000, -0.0000778100000000, 0.0002696500000000 ] - [ -0.0030308400000000, -0.0000256900000000, 0.0002872600000000 ] - [ -0.0028684600000000, 0.0000778100000000, 0.0002696500000000 ] - [ 0.0031016400000000, -0.0000274100000000, -0.0001966800000000 ] - [ 0.0030258400000000, -0.0000009700000000, -0.0002821800000000 ] - [ 0.0031146300000000, 0.0000000000000000, -0.0001533000000000 ] - [ 0.0030194000000000, 0.0000000000000000, -0.0002739400000000 ] - [ 0.0031016400000000, 0.0000274100000000, -0.0001966800000000 ] - [ 0.0030258400000000, 0.0000009700000000, -0.0002821800000000 ] - [ 0.0162345100000000, 0.0000000000000000, 0.0166331500000000 ] - [ -0.0030622900000000, 0.0000000000000000, -0.0002795100000000 ] - [ -0.0030670000000000, -0.0000508000000000, -0.0002176500000000 ] - [ -0.0030664600000000, 0.0000134300000000, -0.0002789600000000 ] - [ -0.0030670000000000, 0.0000508000000000, -0.0002176500000000 ] - [ -0.0030664600000000, -0.0000134300000000, -0.0002789600000000 ] - [ 0.0029173700000000, -0.0000962600000000, 0.0001064100000000 ] - [ 0.0028083300000000, 0.0003745000000000, 0.0006371700000000 ] - [ 0.0030419900000000, 0.0000000000000000, 0.0002582500000000 ] - [ 0.0030614200000000, 0.0000000000000000, 0.0002809500000000 ] - [ 0.0029173700000000, 0.0000962600000000, 0.0001064100000000 ] - [ 0.0028083300000000, -0.0003745000000000, 0.0006371700000000 ] - [ -0.0025888400000000, -0.0000999700000000, -0.0013161400000000 ] - [ -0.0025245500000000, 0.0001582700000000, -0.0018116600000000 ] - [ -0.0023986500000000, 0.0000000000000000, -0.0014880200000000 ] - [ -0.0023799900000000, 0.0000000000000000, -0.0016648500000000 ] - [ -0.0025888400000000, 0.0000999700000000, -0.0013161400000000 ] - [ -0.0025245500000000, -0.0001582700000000, -0.0018116600000000 ] - [ 0.0025254600000000, 0.0000000000000000, 0.0014886300000000 ] - [ 0.0023394300000000, 0.0000000000000000, 0.0015439100000000 ] - [ 0.0024349700000000, 0.0000217700000000, 0.0015759000000000 ] - [ 0.0023126700000000, 0.0000128900000000, 0.0015430000000000 ] - [ 0.0024349700000000, -0.0000217700000000, 0.0015759000000000 ] - [ 0.0023126700000000, -0.0000128900000000, 0.0015430000000000 ] - [ -0.0021748800000000, -0.0008434900000000, 0.0018901700000000 ] - [ -0.0024508300000000, 0.0000085300000000, 0.0015393300000000 ] - [ -0.0024149900000000, 0.0000000000000000, 0.0015262300000000 ] - [ -0.0023693600000000, 0.0000000000000000, 0.0015376600000000 ] - [ -0.0021748800000000, 0.0008434900000000, 0.0018901700000000 ] - [ -0.0024508300000000, -0.0000085300000000, 0.0015393300000000 ] - [ 0.0023333700000000, 0.0000000000000000, -0.0016009000000000 ] - [ 0.0024002200000000, 0.0000000000000000, -0.0014836600000000 ] - [ 0.0023666200000000, -0.0000221900000000, -0.0016220300000000 ] - [ 0.0023991500000000, 0.0000202400000000, -0.0014415800000000 ] - [ 0.0023666200000000, 0.0000221900000000, -0.0016220300000000 ] - [ 0.0023991500000000, -0.0000202400000000, -0.0014415800000000 ] - [ 0.0057178200000000, 0.0031007800000000, -0.0071152200000000 ] - [ 0.0030579300000000, 0.0000021300000000, -0.0053771700000000 ] - [ 0.0030833400000000, 0.0000000000000000, -0.0055567300000000 ] - [ 0.0029771700000000, 0.0000000000000000, -0.0053866900000000 ] - [ 0.0057178200000000, -0.0031007800000000, -0.0071152200000000 ] - [ 0.0030579300000000, -0.0000021300000000, -0.0053771700000000 ] - [ -0.0030155700000000, 0.0000000000000000, 0.0056452200000000 ] - [ -0.0028939300000000, 0.0000000000000000, 0.0052479100000000 ] - [ -0.0030760100000000, 0.0000845900000000, 0.0054996700000000 ] - [ -0.0029510800000000, -0.0001101200000000, 0.0052855700000000 ] - [ -0.0030760100000000, -0.0000845900000000, 0.0054996700000000 ] - [ -0.0029510800000000, 0.0001101200000000, 0.0052855700000000 ] - [ 0.0030443300000000, -0.0000185800000000, 0.0054188400000000 ] - [ 0.0035066000000000, -0.0013382400000000, 0.0068860500000000 ] - [ 0.0029993600000000, 0.0000000000000000, 0.0054140400000000 ] - [ 0.0029991000000000, 0.0000000000000000, 0.0056245100000000 ] - [ 0.0030443300000000, 0.0000185800000000, 0.0054188400000000 ] - [ 0.0035066000000000, 0.0013382400000000, 0.0068860500000000 ] - [ -0.0031532900000000, 0.0000000000000000, -0.0056552500000000 ] - [ -0.0029007400000000, 0.0000000000000000, -0.0053961400000000 ] - [ -0.0030846900000000, -0.0000867100000000, -0.0055519300000000 ] - [ -0.0029282700000000, 0.0000253800000000, -0.0054229200000000 ] - [ -0.0030846900000000, 0.0000867100000000, -0.0055519300000000 ] - [ -0.0029282700000000, -0.0000253800000000, -0.0054229200000000 ] - [ -0.0003430600000000, 0.0000742800000000, -0.0008470100000000 ] - [ 0.0013389600000000, -0.0000009000000000, -0.0009493400000000 ] - [ 0.0012108300000000, 0.0000000000000000, -0.0009227900000000 ] - [ 0.0013038900000000, 0.0000000000000000, -0.0009427700000000 ] - [ -0.0003430600000000, -0.0000742800000000, -0.0008470100000000 ] - [ 0.0013389600000000, 0.0000009000000000, -0.0009493400000000 ] - [ -0.0004428200000000, 0.0000000000000000, 0.0010587900000000 ] - [ 0.0013625300000000, 0.0000000000000000, -0.0003057900000000 ] - [ -0.0011794300000000, 0.0000755000000000, 0.0009008600000000 ] - [ -0.0012865900000000, -0.0001710000000000, 0.0010561900000000 ] - [ -0.0011794300000000, -0.0000755000000000, 0.0009008600000000 ] - [ -0.0012865900000000, 0.0001710000000000, 0.0010561900000000 ] - [ 0.0011999500000000, -0.0001386000000000, 0.0010208900000000 ] - [ 0.0011343100000000, 0.0000823300000000, 0.0008454700000000 ] - [ 0.0012647900000000, 0.0000000000000000, 0.0010309400000000 ] - [ 0.0012401100000000, 0.0000000000000000, 0.0008151500000000 ] - [ 0.0011999500000000, 0.0001386000000000, 0.0010208900000000 ] - [ 0.0011343100000000, -0.0000823300000000, 0.0008454700000000 ] - [ -0.0012825900000000, 0.0000000000000000, -0.0009447800000000 ] - [ -0.0012679600000000, 0.0000000000000000, -0.0009924000000000 ] - [ -0.0010726400000000, 0.0000222400000000, -0.0009718500000000 ] - [ -0.0012472300000000, -0.0000029800000000, -0.0009993900000000 ] - [ -0.0010726400000000, -0.0000222400000000, -0.0009718500000000 ] - [ -0.0012472300000000, 0.0000029800000000, -0.0009993900000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0435419900000000, 0.0000000000000000, 0.0030519900000000 ] - [ 0.0000764600000000, 0.0000000000000000, 0.0001320700000000 ] - [ -0.0000162400000000, 0.0000131800000000, 0.0000841900000000 ] - [ 0.0001031700000000, -0.0000006500000000, 0.0001372000000000 ] - [ -0.0000162400000000, -0.0000131800000000, 0.0000841900000000 ] - [ 0.0001031700000000, 0.0000006500000000, 0.0001372000000000 ] - [ -0.0001570100000000, 0.0000327900000000, -0.0001480900000000 ] - [ -0.0000559100000000, -0.0000447700000000, -0.0001615100000000 ] - [ -0.0001248700000000, 0.0000000000000000, -0.0001389000000000 ] - [ -0.0001141600000000, 0.0000000000000000, -0.0001275900000000 ] - [ -0.0001570100000000, -0.0000327900000000, -0.0001480900000000 ] - [ -0.0000559100000000, 0.0000447700000000, -0.0001615100000000 ] - [ 0.0001874100000000, 0.0000000000000000, -0.0001529000000000 ] - [ 0.0001922200000000, 0.0000000000000000, -0.0001717800000000 ] - [ 0.0000421000000000, -0.0000720000000000, -0.0000975600000000 ] - [ 0.0000332800000000, 0.0001408800000000, -0.0001891600000000 ] - [ 0.0000421000000000, 0.0000720000000000, -0.0000975600000000 ] - [ 0.0000332800000000, -0.0001408800000000, -0.0001891600000000 ] - [ -0.0001328900000000, -0.0000150000000000, 0.0001347900000000 ] - [ -0.0000954600000000, -0.0000022600000000, 0.0001411300000000 ] - [ -0.0001339300000000, 0.0000000000000000, 0.0001610800000000 ] - [ -0.0001031500000000, 0.0000000000000000, 0.0001511600000000 ] - [ -0.0001328900000000, 0.0000150000000000, 0.0001347900000000 ] - [ -0.0000954600000000, 0.0000022600000000, 0.0001411300000000 ] - [ 0.0015215200000000, 0.0000376900000000, 0.0092143200000000 ] - [ 0.0013354100000000, -0.0001980200000000, 0.0089735200000000 ] - [ 0.0014838700000000, 0.0000000000000000, 0.0092005600000000 ] - [ 0.0014307400000000, 0.0000000000000000, 0.0091429700000000 ] - [ 0.0015215200000000, -0.0000376900000000, 0.0092143200000000 ] - [ 0.0013354100000000, 0.0001980200000000, 0.0089735200000000 ] - [ -0.0178335400000000, 0.0000000000000000, 0.0036863300000000 ] - [ -0.0014404400000000, 0.0000000000000000, -0.0091877500000000 ] - [ -0.0014802700000000, -0.0000773300000000, -0.0090866100000000 ] - [ -0.0014283500000000, 0.0000067400000000, -0.0091748200000000 ] - [ -0.0014802700000000, 0.0000773300000000, -0.0090866100000000 ] - [ -0.0014283500000000, -0.0000067400000000, -0.0091748200000000 ] - [ 0.0014422900000000, -0.0000173600000000, -0.0091230700000000 ] - [ 0.0014832100000000, -0.0000069900000000, -0.0092424500000000 ] - [ 0.0014382200000000, 0.0000000000000000, -0.0091250200000000 ] - [ 0.0015141800000000, 0.0000000000000000, -0.0092511700000000 ] - [ 0.0014422900000000, 0.0000173600000000, -0.0091230700000000 ] - [ 0.0014832100000000, 0.0000069900000000, -0.0092424500000000 ] - [ -0.0022330400000000, 0.0000000000000000, 0.0098657100000000 ] - [ -0.0015165300000000, 0.0000000000000000, 0.0091978500000000 ] - [ -0.0014587000000000, -0.0000112500000000, 0.0091483600000000 ] - [ -0.0015440100000000, 0.0000200800000000, 0.0091849200000000 ] - [ -0.0014587000000000, 0.0000112500000000, 0.0091483600000000 ] - [ -0.0015440100000000, -0.0000200800000000, 0.0091849200000000 ] - [ -0.0030845300000000, 0.0000000000000000, 0.0002045500000000 ] - [ -0.0037422600000000, 0.0000000000000000, -0.0002849300000000 ] - [ -0.0030590700000000, -0.0000258400000000, 0.0002179500000000 ] - [ -0.0032113400000000, 0.0000758600000000, 0.0002370000000000 ] - [ -0.0030590700000000, 0.0000258400000000, 0.0002179500000000 ] - [ -0.0032113400000000, -0.0000758600000000, 0.0002370000000000 ] - [ 0.0029864100000000, 0.0000261600000000, -0.0003078300000000 ] - [ 0.0030592000000000, 0.0000010700000000, -0.0002224500000000 ] - [ 0.0029660500000000, 0.0000000000000000, -0.0003499800000000 ] - [ 0.0030653800000000, 0.0000000000000000, -0.0002311700000000 ] - [ 0.0029864100000000, -0.0000261600000000, -0.0003078300000000 ] - [ 0.0030592000000000, -0.0000010700000000, -0.0002224500000000 ] - [ -0.0215284400000000, 0.0000000000000000, -0.0163088200000000 ] - [ -0.0030242600000000, 0.0000000000000000, -0.0002270900000000 ] - [ -0.0030180100000000, 0.0000556500000000, -0.0002907100000000 ] - [ -0.0030201100000000, -0.0000129500000000, -0.0002282200000000 ] - [ -0.0030180100000000, -0.0000556500000000, -0.0002907100000000 ] - [ -0.0030201100000000, 0.0000129500000000, -0.0002282200000000 ] - [ 0.0031688900000000, 0.0000976100000000, 0.0004009400000000 ] - [ 0.0032761100000000, -0.0003711300000000, -0.0001271700000000 ] - [ 0.0030421000000000, 0.0000000000000000, 0.0002467400000000 ] - [ 0.0030251500000000, 0.0000000000000000, 0.0002257700000000 ] - [ 0.0031688900000000, -0.0000976100000000, 0.0004009400000000 ] - [ 0.0032761100000000, 0.0003711300000000, -0.0001271700000000 ] - [ -0.0021874000000000, 0.0001017700000000, -0.0017299000000000 ] - [ -0.0022487300000000, -0.0001550200000000, -0.0012309700000000 ] - [ -0.0023785000000000, 0.0000000000000000, -0.0015574400000000 ] - [ -0.0023962900000000, 0.0000000000000000, -0.0013790300000000 ] - [ -0.0021874000000000, -0.0001017700000000, -0.0017299000000000 ] - [ -0.0022487300000000, 0.0001550200000000, -0.0012309700000000 ] - [ 0.0022513600000000, 0.0000000000000000, 0.0015475600000000 ] - [ 0.0024362900000000, 0.0000000000000000, 0.0014943000000000 ] - [ 0.0023414600000000, -0.0000251600000000, 0.0014649300000000 ] - [ 0.0024627400000000, -0.0000128500000000, 0.0014956400000000 ] - [ 0.0023414600000000, 0.0000251600000000, 0.0014649300000000 ] - [ 0.0024627400000000, 0.0000128500000000, 0.0014956400000000 ] - [ -0.0025923600000000, 0.0007449100000000, 0.0011937600000000 ] - [ -0.0023252500000000, -0.0000071100000000, 0.0015005500000000 ] - [ -0.0023602900000000, 0.0000000000000000, 0.0015133200000000 ] - [ -0.0024069300000000, 0.0000000000000000, 0.0015021400000000 ] - [ -0.0025923600000000, -0.0007449100000000, 0.0011937600000000 ] - [ -0.0023252500000000, 0.0000071100000000, 0.0015005500000000 ] - [ 0.0024433100000000, 0.0000000000000000, -0.0014389600000000 ] - [ 0.0023749000000000, 0.0000000000000000, -0.0015588700000000 ] - [ 0.0024100200000000, 0.0000197200000000, -0.0014161800000000 ] - [ 0.0023766600000000, -0.0000203800000000, -0.0016002600000000 ] - [ 0.0024100200000000, -0.0000197200000000, -0.0014161800000000 ] - [ 0.0023766600000000, 0.0000203800000000, -0.0016002600000000 ] - [ 0.0004047800000000, -0.0029949900000000, -0.0037445200000000 ] - [ 0.0029182500000000, -0.0000021000000000, -0.0054832200000000 ] - [ 0.0028956100000000, 0.0000000000000000, -0.0053013100000000 ] - [ 0.0029985500000000, 0.0000000000000000, -0.0054744700000000 ] - [ 0.0004047800000000, 0.0029949900000000, -0.0037445200000000 ] - [ 0.0029182500000000, 0.0000021000000000, -0.0054832200000000 ] - [ -0.0029579300000000, 0.0000000000000000, 0.0052127300000000 ] - [ -0.0030843600000000, 0.0000000000000000, 0.0056107700000000 ] - [ -0.0029013100000000, -0.0000833800000000, 0.0053611200000000 ] - [ -0.0030253100000000, 0.0001088700000000, 0.0055742700000000 ] - [ -0.0029013100000000, 0.0000833800000000, 0.0053611200000000 ] - [ -0.0030253100000000, -0.0001088700000000, 0.0055742700000000 ] - [ 0.0029292100000000, 0.0000175200000000, 0.0054442000000000 ] - [ 0.0023642800000000, 0.0014061300000000, 0.0039676000000000 ] - [ 0.0029760100000000, 0.0000000000000000, 0.0054478300000000 ] - [ 0.0029739900000000, 0.0000000000000000, 0.0052386500000000 ] - [ 0.0029292100000000, -0.0000175200000000, 0.0054442000000000 ] - [ 0.0023642800000000, -0.0014061300000000, 0.0039676000000000 ] - [ -0.0028268300000000, 0.0000000000000000, -0.0052066600000000 ] - [ -0.0030736600000000, 0.0000000000000000, -0.0054664300000000 ] - [ -0.0028906400000000, 0.0000897500000000, -0.0053097100000000 ] - [ -0.0030465500000000, -0.0000261200000000, -0.0054392200000000 ] - [ -0.0028906400000000, -0.0000897500000000, -0.0053097100000000 ] - [ -0.0030465500000000, 0.0000261200000000, -0.0054392200000000 ] - [ 0.0028690500000000, -0.0000737400000000, -0.0010580800000000 ] - [ 0.0011898900000000, 0.0000007600000000, -0.0009742800000000 ] - [ 0.0013170700000000, 0.0000000000000000, -0.0009979300000000 ] - [ 0.0012258100000000, 0.0000000000000000, -0.0009808600000000 ] - [ 0.0028690500000000, 0.0000737400000000, -0.0010580800000000 ] - [ 0.0011898900000000, -0.0000007600000000, -0.0009742800000000 ] - [ -0.0020968100000000, 0.0000000000000000, 0.0008603800000000 ] - [ -0.0038730500000000, 0.0000000000000000, 0.0022119400000000 ] - [ -0.0013495500000000, -0.0000767900000000, 0.0010234500000000 ] - [ -0.0012432200000000, 0.0001698600000000, 0.0008667700000000 ] - [ -0.0013495500000000, 0.0000767900000000, 0.0010234500000000 ] - [ -0.0012432200000000, -0.0001698600000000, 0.0008667700000000 ] - [ 0.0013297800000000, 0.0001356800000000, 0.0009028600000000 ] - [ 0.0013941200000000, -0.0000849900000000, 0.0010749200000000 ] - [ 0.0012667700000000, 0.0000000000000000, 0.0008914000000000 ] - [ 0.0012863100000000, 0.0000000000000000, 0.0011046700000000 ] - [ 0.0013297800000000, -0.0001356800000000, 0.0009028600000000 ] - [ 0.0013941200000000, 0.0000849900000000, 0.0010749200000000 ] - [ -0.0012476600000000, 0.0000000000000000, -0.0009899800000000 ] - [ -0.0012603700000000, 0.0000000000000000, -0.0009348500000000 ] - [ -0.0014561500000000, -0.0000215600000000, -0.0009600700000000 ] - [ -0.0012819300000000, 0.0000015800000000, -0.0009276000000000 ] - [ -0.0014561500000000, 0.0000215600000000, -0.0009600700000000 ] - [ -0.0012819300000000, -0.0000015800000000, -0.0009276000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000401600000000, -0.0289084600000000, 0.0008727000000000 ] - [ 0.0001112000000000, 0.0000201900000000, 0.0001314400000000 ] - [ 0.0001326300000000, 0.0013192900000000, 0.0003992300000000 ] - [ 0.0001098600000000, 0.0000083600000000, 0.0001339600000000 ] - [ 0.0000984000000000, 0.0013104200000000, -0.0001424700000000 ] - [ 0.0001103400000000, 0.0000095100000000, 0.0001309600000000 ] - [ -0.0001435300000000, 0.0000412400000000, -0.0001313500000000 ] - [ -0.0000641600000000, 0.0000425300000000, -0.0001331300000000 ] - [ -0.0001121000000000, -0.0000242100000000, -0.0001350400000000 ] - [ -0.0001104800000000, -0.0000113300000000, -0.0001334000000000 ] - [ -0.0000801900000000, 0.0000408800000000, -0.0001430000000000 ] - [ -0.0001567800000000, 0.0000421800000000, -0.0001377800000000 ] - [ 0.0001105400000000, 0.0000277200000000, -0.0001331200000000 ] - [ 0.0001075600000000, 0.0000281600000000, -0.0001313500000000 ] - [ 0.0002523400000000, 0.0000814400000000, -0.0001188100000000 ] - [ 0.0000425300000000, 0.0000815100000000, -0.0001341100000000 ] - [ -0.0000255300000000, 0.0000811500000000, -0.0001573400000000 ] - [ 0.0001858800000000, 0.0000811500000000, -0.0001425700000000 ] - [ -0.0001001300000000, 0.0001098900000000, 0.0001543500000000 ] - [ -0.0001127100000000, 0.0000073600000000, 0.0001472100000000 ] - [ -0.0001162100000000, -0.0001984100000000, 0.0001458900000000 ] - [ -0.0001101600000000, 0.0000159800000000, 0.0001326800000000 ] - [ -0.0001282600000000, 0.0001073500000000, 0.0001163100000000 ] - [ -0.0001125900000000, 0.0000088600000000, 0.0001309100000000 ] - [ 0.0014649700000000, -0.0000178000000000, 0.0091656700000000 ] - [ 0.0012263400000000, 0.0000050300000000, 0.0093827600000000 ] - [ 0.0014608300000000, 0.0000251200000000, 0.0091855000000000 ] - [ 0.0014568300000000, 0.0000148500000000, 0.0091882400000000 ] - [ 0.0014531000000000, -0.0000173100000000, 0.0092068300000000 ] - [ 0.0016973700000000, 0.0000061400000000, 0.0089870700000000 ] - [ -0.0013848000000000, -0.0008270100000000, -0.0092275800000000 ] - [ -0.0014576200000000, -0.0000083100000000, -0.0091864000000000 ] - [ -0.0011817000000000, -0.0002428700000000, -0.0091805400000000 ] - [ -0.0014460900000000, 0.0000130500000000, -0.0091843800000000 ] - [ -0.0017431000000000, -0.0002444500000000, -0.0091868400000000 ] - [ -0.0014687300000000, 0.0000132200000000, -0.0091888400000000 ] - [ 0.0015026100000000, 0.0001629200000000, -0.0092363500000000 ] - [ 0.0014458200000000, -0.0000129400000000, -0.0091854700000000 ] - [ 0.0014632600000000, -0.0012638400000000, -0.0091840800000000 ] - [ 0.0014602400000000, 0.0000227100000000, -0.0091861000000000 ] - [ 0.0014174300000000, 0.0001624000000000, -0.0091391200000000 ] - [ 0.0014773300000000, -0.0000134800000000, -0.0091843600000000 ] - [ -0.0014590200000000, -0.0000459500000000, 0.0091896700000000 ] - [ -0.0014583300000000, -0.0000191500000000, 0.0091862300000000 ] - [ -0.0016644100000000, -0.0000964100000000, 0.0090994900000000 ] - [ -0.0014965900000000, 0.0000204500000000, 0.0091403600000000 ] - [ -0.0012518000000000, -0.0000953800000000, 0.0092745300000000 ] - [ -0.0014182100000000, 0.0000218400000000, 0.0092318400000000 ] - [ -0.0030468700000000, -0.0000289000000000, 0.0002584000000000 ] - [ -0.0030448100000000, 0.0000062200000000, 0.0002599100000000 ] - [ -0.0030148200000000, 0.0000274900000000, 0.0002064100000000 ] - [ -0.0029022800000000, -0.0000223200000000, 0.0001683400000000 ] - [ -0.0030781700000000, 0.0000286100000000, 0.0003088200000000 ] - [ -0.0031921300000000, -0.0000215500000000, 0.0003483600000000 ] - [ 0.0030894800000000, 0.0001175000000000, -0.0000718000000000 ] - [ 0.0030485500000000, -0.0000137200000000, -0.0002528600000000 ] - [ 0.0030433900000000, -0.0008223400000000, -0.0002547300000000 ] - [ 0.0030473700000000, 0.0000289900000000, -0.0002579100000000 ] - [ 0.0030064800000000, 0.0001181900000000, -0.0004445500000000 ] - [ 0.0030428300000000, -0.0000140200000000, -0.0002596100000000 ] - [ -0.0031351100000000, -0.0003907400000000, -0.0003112200000000 ] - [ -0.0030470100000000, -0.0000069300000000, -0.0002586100000000 ] - [ -0.0033327400000000, -0.0002021000000000, -0.0002059600000000 ] - [ -0.0030558300000000, 0.0000161400000000, -0.0002560900000000 ] - [ -0.0027534300000000, -0.0002077000000000, -0.0003035700000000 ] - [ -0.0030387600000000, 0.0000170900000000, -0.0002610000000000 ] - [ 0.0031714000000000, -0.0000532600000000, 0.0002997300000000 ] - [ 0.0030477900000000, -0.0000087900000000, 0.0002631400000000 ] - [ 0.0030472600000000, 0.0000452500000000, 0.0002574600000000 ] - [ 0.0030485000000000, 0.0000151000000000, 0.0002602800000000 ] - [ 0.0029231300000000, -0.0000528900000000, 0.0002145100000000 ] - [ 0.0030466100000000, -0.0000090800000000, 0.0002534100000000 ] - [ -0.0022790200000000, 0.0001051900000000, -0.0016039700000000 ] - [ -0.0025614500000000, 0.0001338600000000, -0.0016210800000000 ] - [ -0.0023863500000000, 0.0000173300000000, -0.0015226900000000 ] - [ -0.0023872700000000, 0.0000249900000000, -0.0015238500000000 ] - [ -0.0024960700000000, 0.0001093900000000, -0.0014395300000000 ] - [ -0.0022094600000000, 0.0001347800000000, -0.0014246000000000 ] - [ 0.0023879000000000, -0.0001536700000000, 0.0015198400000000 ] - [ 0.0023880300000000, -0.0000141400000000, 0.0015188700000000 ] - [ 0.0024108100000000, 0.0001889300000000, 0.0016956400000000 ] - [ 0.0023901900000000, 0.0000076300000000, 0.0015100000000000 ] - [ 0.0023658400000000, 0.0001925400000000, 0.0013495600000000 ] - [ 0.0023865100000000, 0.0000044200000000, 0.0015303800000000 ] - [ -0.0035708000000000, 0.0129419500000000, -0.0078759900000000 ] - [ -0.0023940500000000, -0.0000158800000000, 0.0015152900000000 ] - [ -0.0023863200000000, -0.0006523600000000, 0.0015215300000000 ] - [ -0.0023872600000000, 0.0000177700000000, 0.0015229100000000 ] - [ -0.0012268100000000, 0.0122231300000000, 0.0103031800000000 ] - [ -0.0023795500000000, -0.0000160000000000, 0.0015316000000000 ] - [ 0.0023884300000000, -0.0000376700000000, -0.0015235400000000 ] - [ 0.0023880300000000, -0.0000276800000000, -0.0015231000000000 ] - [ 0.0024935300000000, -0.0000163900000000, -0.0015266500000000 ] - [ 0.0023289000000000, 0.0000205200000000, -0.0014882000000000 ] - [ 0.0022835500000000, -0.0000121900000000, -0.0015179000000000 ] - [ 0.0024456600000000, 0.0000175500000000, -0.0015611500000000 ] - [ 0.0055091600000000, 0.0004232200000000, -0.0045447100000000 ] - [ 0.0030541300000000, 0.0000355400000000, -0.0054264700000000 ] - [ 0.0029840100000000, 0.0000517500000000, -0.0054306500000000 ] - [ 0.0029858200000000, -0.0000227700000000, -0.0054320900000000 ] - [ 0.0005400200000000, 0.0003581300000000, -0.0063443300000000 ] - [ 0.0029159800000000, 0.0000354700000000, -0.0054381300000000 ] - [ -0.0029834700000000, 0.0000655300000000, 0.0054329300000000 ] - [ -0.0029843000000000, 0.0000500200000000, 0.0054316100000000 ] - [ -0.0029711900000000, -0.0000193100000000, 0.0054451400000000 ] - [ -0.0029630500000000, -0.0000164800000000, 0.0054462300000000 ] - [ -0.0029988100000000, -0.0000165700000000, 0.0054195700000000 ] - [ -0.0030031600000000, -0.0000201800000000, 0.0054173000000000 ] - [ 0.0029148200000000, 0.0000274600000000, 0.0054445100000000 ] - [ 0.0015568300000000, -0.0003451800000000, 0.0063868900000000 ] - [ 0.0029869700000000, -0.0000137600000000, 0.0054328200000000 ] - [ 0.0029877100000000, 0.0000676500000000, 0.0054329300000000 ] - [ 0.0030586100000000, 0.0000294100000000, 0.0054208900000000 ] - [ 0.0043773800000000, -0.0003901200000000, 0.0044583500000000 ] - [ -0.0029851600000000, -0.0000714100000000, -0.0054315300000000 ] - [ -0.0029876200000000, 0.0000339500000000, -0.0054329500000000 ] - [ -0.0030357300000000, 0.0000339700000000, -0.0055081100000000 ] - [ -0.0030350500000000, -0.0000191900000000, -0.0054164600000000 ] - [ -0.0029374900000000, 0.0000320300000000, -0.0053561400000000 ] - [ -0.0029364500000000, -0.0000184600000000, -0.0054488000000000 ] - [ 0.0013781500000000, 0.0003128700000000, -0.0009324100000000 ] - [ 0.0012559000000000, 0.0000129900000000, -0.0009583800000000 ] - [ 0.0012637500000000, -0.0000150200000000, -0.0009641900000000 ] - [ 0.0012620900000000, -0.0000245600000000, -0.0009643600000000 ] - [ 0.0011391400000000, 0.0002772900000000, -0.0009671800000000 ] - [ 0.0012665500000000, 0.0000118100000000, -0.0009678200000000 ] - [ -0.0012603400000000, 0.0002179900000000, 0.0009657000000000 ] - [ -0.0012618600000000, 0.0003499300000000, 0.0009612100000000 ] - [ -0.0012812200000000, -0.0000814900000000, 0.0009638000000000 ] - [ -0.0012702600000000, -0.0001044900000000, 0.0009971000000000 ] - [ -0.0012406700000000, -0.0000825200000000, 0.0009586500000000 ] - [ -0.0012509500000000, -0.0001047400000000, 0.0009185700000000 ] - [ 0.0012953400000000, 0.0000129300000000, 0.0009883900000000 ] - [ 0.0012538200000000, 0.0000122900000000, 0.0009818600000000 ] - [ 0.0012625700000000, 0.0000769300000000, 0.0009633900000000 ] - [ 0.0012614500000000, 0.0000229000000000, 0.0009632900000000 ] - [ 0.0012273200000000, 0.0000079200000000, 0.0009353300000000 ] - [ 0.0012701800000000, 0.0000091400000000, 0.0009413500000000 ] - [ -0.0012594700000000, -0.0016272700000000, -0.0009607600000000 ] - [ -0.0012605300000000, 0.0000286900000000, -0.0009626100000000 ] - [ -0.0005539900000000, 0.0023812300000000, -0.0034316300000000 ] - [ -0.0012506600000000, -0.0000085400000000, -0.0009411700000000 ] - [ -0.0019621800000000, 0.0023850900000000, 0.0015178700000000 ] - [ -0.0012722300000000, -0.0000079300000000, -0.0009824900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0035727400000000, 0.0000000000000000, -0.0434830000000000 ] - [ 0.0001076400000000, 0.0000000000000000, 0.0001218300000000 ] - [ 0.0001474500000000, -0.0002684100000000, -0.0007429000000000 ] - [ 0.0001029400000000, -0.0000022900000000, 0.0001232700000000 ] - [ 0.0001474500000000, 0.0002684100000000, -0.0007429000000000 ] - [ 0.0001029400000000, 0.0000022900000000, 0.0001232700000000 ] - [ -0.0000938900000000, 0.0000053600000000, -0.0000982000000000 ] - [ -0.0000817600000000, 0.0000015600000000, -0.0001252800000000 ] - [ -0.0001026200000000, 0.0000000000000000, -0.0001110900000000 ] - [ -0.0001137100000000, 0.0000000000000000, -0.0001065800000000 ] - [ -0.0000938900000000, -0.0000053600000000, -0.0000982000000000 ] - [ -0.0000817600000000, -0.0000015600000000, -0.0001252800000000 ] - [ 0.0000672700000000, 0.0000000000000000, -0.0001846900000000 ] - [ 0.0000779500000000, 0.0000000000000000, -0.0001924700000000 ] - [ 0.0000351100000000, -0.0000001800000000, -0.0001748100000000 ] - [ 0.0001445000000000, 0.0000116600000000, -0.0001795000000000 ] - [ 0.0000351100000000, 0.0000001800000000, -0.0001748100000000 ] - [ 0.0001445000000000, -0.0000116600000000, -0.0001795000000000 ] - [ -0.0001076900000000, -0.0000128400000000, 0.0000218800000000 ] - [ -0.0001001500000000, -0.0000061400000000, 0.0001259700000000 ] - [ -0.0000855900000000, 0.0000000000000000, 0.0001846300000000 ] - [ -0.0000956500000000, 0.0000000000000000, 0.0001488200000000 ] - [ -0.0001076900000000, 0.0000128400000000, 0.0000218800000000 ] - [ -0.0001001500000000, 0.0000061400000000, 0.0001259700000000 ] - [ 0.0015072500000000, -0.0000434500000000, 0.0091087000000000 ] - [ 0.0012613200000000, -0.0000649000000000, 0.0090388300000000 ] - [ 0.0015137000000000, 0.0000000000000000, 0.0091398900000000 ] - [ 0.0014105200000000, 0.0000000000000000, 0.0090919900000000 ] - [ 0.0015072500000000, 0.0000434500000000, 0.0091087000000000 ] - [ 0.0012613200000000, 0.0000649000000000, 0.0090388300000000 ] - [ -0.0155479300000000, 0.0000000000000000, 0.0006080400000000 ] - [ -0.0014649700000000, 0.0000000000000000, -0.0091199200000000 ] - [ -0.0016008600000000, -0.0002089500000000, -0.0088629000000000 ] - [ -0.0014635200000000, -0.0000116700000000, -0.0091415800000000 ] - [ -0.0016008600000000, 0.0002089500000000, -0.0088629000000000 ] - [ -0.0014635200000000, 0.0000116700000000, -0.0091415800000000 ] - [ 0.0016468500000000, 0.0000922100000000, -0.0093534000000000 ] - [ 0.0014985200000000, 0.0000034400000000, -0.0091781300000000 ] - [ 0.0016950200000000, 0.0000000000000000, -0.0096717100000000 ] - [ 0.0014919800000000, 0.0000000000000000, -0.0091995300000000 ] - [ 0.0016468500000000, -0.0000922100000000, -0.0093534000000000 ] - [ 0.0014985200000000, -0.0000034400000000, -0.0091781300000000 ] - [ -0.0018399600000000, 0.0000000000000000, 0.0097511500000000 ] - [ -0.0015199000000000, 0.0000000000000000, 0.0091845600000000 ] - [ -0.0011858500000000, 0.0000661000000000, 0.0091764700000000 ] - [ -0.0015051500000000, -0.0000338100000000, 0.0091778700000000 ] - [ -0.0011858500000000, -0.0000661000000000, 0.0091764700000000 ] - [ -0.0015051500000000, 0.0000338100000000, 0.0091778700000000 ] - [ -0.0029510000000000, 0.0000000000000000, 0.0002670700000000 ] - [ -0.0027743300000000, 0.0000000000000000, 0.0006248000000000 ] - [ -0.0029740900000000, -0.0000437200000000, 0.0002611600000000 ] - [ -0.0033280000000000, 0.0000156600000000, 0.0002730900000000 ] - [ -0.0029740900000000, 0.0000437200000000, 0.0002611600000000 ] - [ -0.0033280000000000, -0.0000156600000000, 0.0002730900000000 ] - [ 0.0028785700000000, 0.0000206800000000, -0.0003570300000000 ] - [ 0.0030395800000000, 0.0000016800000000, -0.0001994500000000 ] - [ 0.0029047400000000, 0.0000000000000000, -0.0005562600000000 ] - [ 0.0030240300000000, 0.0000000000000000, -0.0001914100000000 ] - [ 0.0028785700000000, -0.0000206800000000, -0.0003570300000000 ] - [ 0.0030395800000000, -0.0000016800000000, -0.0001994500000000 ] - [ 0.0155148400000000, 0.0000000000000000, 0.0154228400000000 ] - [ -0.0030051800000000, 0.0000000000000000, -0.0002046600000000 ] - [ -0.0029840100000000, -0.0001766000000000, 0.0000805700000000 ] - [ -0.0029947400000000, -0.0000129000000000, -0.0002177500000000 ] - [ -0.0029840100000000, 0.0001766000000000, 0.0000805700000000 ] - [ -0.0029947400000000, 0.0000129000000000, -0.0002177500000000 ] - [ 0.0030412400000000, -0.0000516000000000, 0.0000414300000000 ] - [ 0.0031832000000000, -0.0003044600000000, -0.0000540400000000 ] - [ 0.0031029700000000, 0.0000000000000000, 0.0001560800000000 ] - [ 0.0029796900000000, 0.0000000000000000, 0.0002257300000000 ] - [ 0.0030412400000000, 0.0000516000000000, 0.0000414300000000 ] - [ 0.0031832000000000, 0.0003044600000000, -0.0000540400000000 ] - [ -0.0025121800000000, -0.0001768500000000, -0.0012209400000000 ] - [ -0.0022241900000000, -0.0002092200000000, -0.0012321200000000 ] - [ -0.0023107100000000, 0.0000000000000000, -0.0014147200000000 ] - [ -0.0024553600000000, 0.0000000000000000, -0.0014024400000000 ] - [ -0.0025121800000000, 0.0001768500000000, -0.0012209400000000 ] - [ -0.0022241900000000, 0.0002092200000000, -0.0012321200000000 ] - [ 0.0023659100000000, 0.0000000000000000, 0.0015227700000000 ] - [ 0.0024188700000000, 0.0000000000000000, 0.0014731100000000 ] - [ 0.0023280300000000, -0.0000841900000000, 0.0011855200000000 ] - [ 0.0024320000000000, -0.0000043300000000, 0.0014501500000000 ] - [ 0.0023280300000000, 0.0000841900000000, 0.0011855200000000 ] - [ 0.0024320000000000, 0.0000043300000000, 0.0014501500000000 ] - [ -0.0019184700000000, -0.0108138200000000, 0.0102080500000000 ] - [ -0.0023692800000000, 0.0000037500000000, 0.0014992900000000 ] - [ -0.0024028700000000, 0.0000000000000000, 0.0016300500000000 ] - [ -0.0023747000000000, 0.0000000000000000, 0.0014812000000000 ] - [ -0.0019184700000000, 0.0108138200000000, 0.0102080500000000 ] - [ -0.0023692800000000, -0.0000037500000000, 0.0014992900000000 ] - [ 0.0024244800000000, 0.0000000000000000, -0.0015018800000000 ] - [ 0.0023468700000000, 0.0000000000000000, -0.0014647800000000 ] - [ 0.0024894600000000, -0.0000284500000000, -0.0015285400000000 ] - [ 0.0023182700000000, 0.0000032800000000, -0.0015039200000000 ] - [ 0.0024894600000000, 0.0000284500000000, -0.0015285400000000 ] - [ 0.0023182700000000, -0.0000032800000000, -0.0015039200000000 ] - [ 0.0016794400000000, 0.0011779700000000, -0.0077905800000000 ] - [ 0.0028895100000000, -0.0000334000000000, -0.0054800200000000 ] - [ 0.0025936700000000, 0.0000000000000000, -0.0057009400000000 ] - [ 0.0029892900000000, 0.0000000000000000, -0.0054331100000000 ] - [ 0.0016794400000000, -0.0011779700000000, -0.0077905800000000 ] - [ 0.0028895100000000, 0.0000334000000000, -0.0054800200000000 ] - [ -0.0030336400000000, 0.0000000000000000, 0.0056964700000000 ] - [ -0.0030189300000000, 0.0000000000000000, 0.0055640000000000 ] - [ -0.0029485000000000, 0.0000674300000000, 0.0056619700000000 ] - [ -0.0029813300000000, 0.0001108000000000, 0.0055406000000000 ] - [ -0.0029485000000000, -0.0000674300000000, 0.0056619700000000 ] - [ -0.0029813300000000, -0.0001108000000000, 0.0055406000000000 ] - [ 0.0029986100000000, -0.0000366200000000, 0.0053865700000000 ] - [ 0.0045082600000000, 0.0010038600000000, 0.0036890700000000 ] - [ 0.0029401900000000, 0.0000000000000000, 0.0054266600000000 ] - [ 0.0034239100000000, 0.0000000000000000, 0.0051909900000000 ] - [ 0.0029986100000000, 0.0000366200000000, 0.0053865700000000 ] - [ 0.0045082600000000, -0.0010038600000000, 0.0036890700000000 ] - [ -0.0028376600000000, 0.0000000000000000, -0.0051882700000000 ] - [ -0.0030472500000000, 0.0000000000000000, -0.0054223600000000 ] - [ -0.0029615800000000, 0.0000537700000000, -0.0052312500000000 ] - [ -0.0030767800000000, 0.0000060500000000, -0.0054181600000000 ] - [ -0.0029615800000000, -0.0000537700000000, -0.0052312500000000 ] - [ -0.0030767800000000, -0.0000060500000000, -0.0054181600000000 ] - [ 0.0012428500000000, 0.0025665400000000, 0.0006079000000000 ] - [ 0.0012133500000000, 0.0000038900000000, -0.0009539600000000 ] - [ 0.0013106200000000, 0.0000000000000000, -0.0010958200000000 ] - [ 0.0012256600000000, 0.0000000000000000, -0.0009393100000000 ] - [ 0.0012428500000000, -0.0025665400000000, 0.0006079000000000 ] - [ 0.0012133500000000, -0.0000038900000000, -0.0009539600000000 ] - [ -0.0006391800000000, 0.0000000000000000, 0.0012660700000000 ] - [ -0.0030476800000000, 0.0000000000000000, 0.0023589500000000 ] - [ -0.0013077000000000, 0.0000570300000000, 0.0009799400000000 ] - [ -0.0011512700000000, 0.0001438100000000, 0.0009612000000000 ] - [ -0.0013077000000000, -0.0000570300000000, 0.0009799400000000 ] - [ -0.0011512700000000, -0.0001438100000000, 0.0009612000000000 ] - [ 0.0011482800000000, 0.0001403700000000, 0.0009355800000000 ] - [ 0.0013104600000000, 0.0000877300000000, 0.0009660300000000 ] - [ 0.0010657400000000, 0.0000000000000000, 0.0009813600000000 ] - [ 0.0013796700000000, 0.0000000000000000, 0.0010059800000000 ] - [ 0.0011482800000000, -0.0001403700000000, 0.0009355800000000 ] - [ 0.0013104600000000, -0.0000877300000000, 0.0009660300000000 ] - [ -0.0015940200000000, 0.0000000000000000, 0.0005252000000000 ] - [ -0.0012827800000000, 0.0000000000000000, -0.0009547800000000 ] - [ -0.0015176800000000, -0.0006141700000000, 0.0007348400000000 ] - [ -0.0012848300000000, 0.0000029400000000, -0.0009467400000000 ] - [ -0.0015176800000000, 0.0006141700000000, 0.0007348400000000 ] - [ -0.0012848300000000, -0.0000029400000000, -0.0009467400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0038459300000000, 0.0000000000000000, 0.0435092100000000 ] - [ 0.0000814300000000, 0.0000000000000000, 0.0001040800000000 ] - [ 0.0000402400000000, 0.0002642800000000, 0.0009695600000000 ] - [ 0.0000884200000000, 0.0000015800000000, 0.0000923100000000 ] - [ 0.0000402400000000, -0.0002642800000000, 0.0009695600000000 ] - [ 0.0000884200000000, -0.0000015800000000, 0.0000923100000000 ] - [ -0.0000972700000000, -0.0000004500000000, -0.0001274400000000 ] - [ -0.0001166600000000, 0.0000015400000000, -0.0001120100000000 ] - [ -0.0000908500000000, 0.0000000000000000, -0.0001162500000000 ] - [ -0.0000866400000000, 0.0000000000000000, -0.0001256800000000 ] - [ -0.0000972700000000, 0.0000004500000000, -0.0001274400000000 ] - [ -0.0001166600000000, -0.0000015400000000, -0.0001120100000000 ] - [ 0.0001229000000000, 0.0000000000000000, -0.0000376500000000 ] - [ 0.0001078600000000, 0.0000000000000000, -0.0000356500000000 ] - [ 0.0001555900000000, -0.0000027000000000, -0.0000582000000000 ] - [ 0.0000481300000000, -0.0000169100000000, -0.0000504100000000 ] - [ 0.0001555900000000, 0.0000027000000000, -0.0000582000000000 ] - [ 0.0000481300000000, 0.0000169100000000, -0.0000504100000000 ] - [ -0.0000815400000000, 0.0000140300000000, 0.0002005300000000 ] - [ -0.0001007600000000, 0.0000058400000000, 0.0001125900000000 ] - [ -0.0000985300000000, 0.0000000000000000, 0.0000418600000000 ] - [ -0.0000985900000000, 0.0000000000000000, 0.0000657800000000 ] - [ -0.0000815400000000, -0.0000140300000000, 0.0002005300000000 ] - [ -0.0001007600000000, -0.0000058400000000, 0.0001125900000000 ] - [ 0.0014213900000000, 0.0000440000000000, 0.0091770300000000 ] - [ 0.0016595600000000, 0.0000681000000000, 0.0092603900000000 ] - [ 0.0014338900000000, 0.0000000000000000, 0.0091351300000000 ] - [ 0.0015087800000000, 0.0000000000000000, 0.0092056800000000 ] - [ 0.0014213900000000, -0.0000440000000000, 0.0091770300000000 ] - [ 0.0016595600000000, -0.0000681000000000, 0.0092603900000000 ] - [ 0.0120196600000000, 0.0000000000000000, -0.0186858200000000 ] - [ -0.0014837600000000, 0.0000000000000000, -0.0091583600000000 ] - [ -0.0013457200000000, 0.0002115600000000, -0.0094245300000000 ] - [ -0.0014784400000000, 0.0000104700000000, -0.0091401200000000 ] - [ -0.0013457200000000, -0.0002115600000000, -0.0094245300000000 ] - [ -0.0014784400000000, -0.0000104700000000, -0.0091401200000000 ] - [ 0.0013065900000000, -0.0000895000000000, -0.0089320300000000 ] - [ 0.0014257200000000, -0.0000026200000000, -0.0091155900000000 ] - [ 0.0012707700000000, 0.0000000000000000, -0.0086063400000000 ] - [ 0.0014448000000000, 0.0000000000000000, -0.0090830700000000 ] - [ 0.0013065900000000, 0.0000895000000000, -0.0089320300000000 ] - [ 0.0014257200000000, 0.0000026200000000, -0.0091155900000000 ] - [ -0.0010958000000000, 0.0000000000000000, 0.0085440300000000 ] - [ -0.0014361700000000, 0.0000000000000000, 0.0090885800000000 ] - [ -0.0017417700000000, -0.0000702000000000, 0.0091242100000000 ] - [ -0.0014228200000000, 0.0000329200000000, 0.0091137900000000 ] - [ -0.0017417700000000, 0.0000702000000000, 0.0091242100000000 ] - [ -0.0014228200000000, -0.0000329200000000, 0.0091137900000000 ] - [ -0.0031281800000000, 0.0000000000000000, 0.0001449200000000 ] - [ -0.0032862300000000, 0.0000000000000000, -0.0002252200000000 ] - [ -0.0031160100000000, 0.0000419800000000, 0.0001578700000000 ] - [ -0.0027541000000000, -0.0000192800000000, 0.0001455200000000 ] - [ -0.0031160100000000, -0.0000419800000000, 0.0001578700000000 ] - [ -0.0027541000000000, 0.0000192800000000, 0.0001455200000000 ] - [ 0.0031803100000000, -0.0000210100000000, -0.0000493000000000 ] - [ 0.0030457800000000, -0.0000014000000000, -0.0002170500000000 ] - [ 0.0031442000000000, 0.0000000000000000, 0.0001613400000000 ] - [ 0.0030446800000000, 0.0000000000000000, -0.0002171400000000 ] - [ 0.0031803100000000, 0.0000210100000000, -0.0000493000000000 ] - [ 0.0030457800000000, 0.0000014000000000, -0.0002170500000000 ] - [ -0.0208402000000000, 0.0000000000000000, -0.0154663000000000 ] - [ -0.0030601700000000, 0.0000000000000000, -0.0001982500000000 ] - [ -0.0030884800000000, 0.0001814200000000, -0.0004899600000000 ] - [ -0.0030777800000000, 0.0000127500000000, -0.0001898000000000 ] - [ -0.0030884800000000, -0.0001814200000000, -0.0004899600000000 ] - [ -0.0030777800000000, -0.0000127500000000, -0.0001898000000000 ] - [ 0.0030383900000000, 0.0000544500000000, 0.0003732700000000 ] - [ 0.0029012000000000, 0.0003064300000000, 0.0004724800000000 ] - [ 0.0029591300000000, 0.0000000000000000, 0.0002434800000000 ] - [ 0.0031085800000000, 0.0000000000000000, 0.0001962900000000 ] - [ 0.0030383900000000, -0.0000544500000000, 0.0003732700000000 ] - [ 0.0029012000000000, -0.0003064300000000, 0.0004724800000000 ] - [ -0.0022708900000000, 0.0001840500000000, -0.0017509200000000 ] - [ -0.0025495400000000, 0.0002353400000000, -0.0017205900000000 ] - [ -0.0024707400000000, 0.0000000000000000, -0.0015615700000000 ] - [ -0.0023242800000000, 0.0000000000000000, -0.0015694400000000 ] - [ -0.0022708900000000, -0.0001840500000000, -0.0017509200000000 ] - [ -0.0025495400000000, -0.0002353400000000, -0.0017205900000000 ] - [ 0.0024080200000000, 0.0000000000000000, 0.0014049600000000 ] - [ 0.0023589900000000, 0.0000000000000000, 0.0014987400000000 ] - [ 0.0024496400000000, 0.0000830200000000, 0.0017573800000000 ] - [ 0.0023458500000000, -0.0000095500000000, 0.0015111500000000 ] - [ 0.0024496400000000, -0.0000830200000000, 0.0017573800000000 ] - [ 0.0023458500000000, 0.0000095500000000, 0.0015111500000000 ] - [ -0.0028576300000000, 0.0113011000000000, -0.0074678900000000 ] - [ -0.0024102800000000, 0.0000019400000000, 0.0014460600000000 ] - [ -0.0023753500000000, 0.0000000000000000, 0.0013287800000000 ] - [ -0.0024053000000000, 0.0000000000000000, 0.0014693300000000 ] - [ -0.0028576300000000, -0.0113011000000000, -0.0074678900000000 ] - [ -0.0024102800000000, -0.0000019400000000, 0.0014460600000000 ] - [ 0.0023546400000000, 0.0000000000000000, -0.0014590200000000 ] - [ 0.0024272800000000, 0.0000000000000000, -0.0015008400000000 ] - [ 0.0022894900000000, 0.0000101500000000, -0.0014190100000000 ] - [ 0.0024554100000000, 0.0000020600000000, -0.0014667100000000 ] - [ 0.0022894900000000, -0.0000101500000000, -0.0014190100000000 ] - [ 0.0024554100000000, -0.0000020600000000, -0.0014667100000000 ] - [ 0.0043448200000000, -0.0011464900000000, -0.0030666900000000 ] - [ 0.0030908400000000, 0.0000447300000000, -0.0053782400000000 ] - [ 0.0034016900000000, 0.0000000000000000, -0.0051584800000000 ] - [ 0.0030018900000000, 0.0000000000000000, -0.0054279900000000 ] - [ 0.0043448200000000, 0.0011464900000000, -0.0030666900000000 ] - [ 0.0030908400000000, -0.0000447300000000, -0.0053782400000000 ] - [ -0.0029339800000000, 0.0000000000000000, 0.0051619800000000 ] - [ -0.0029686700000000, 0.0000000000000000, 0.0052950800000000 ] - [ -0.0030331300000000, -0.0000801200000000, 0.0051959800000000 ] - [ -0.0029941500000000, -0.0001141100000000, 0.0053192400000000 ] - [ -0.0030331300000000, 0.0000801200000000, 0.0051959800000000 ] - [ -0.0029941500000000, 0.0001141100000000, 0.0053192400000000 ] - [ 0.0029663400000000, 0.0000404400000000, 0.0054725400000000 ] - [ 0.0014416000000000, -0.0009613500000000, 0.0071652400000000 ] - [ 0.0030228300000000, 0.0000000000000000, 0.0054320300000000 ] - [ 0.0025472000000000, 0.0000000000000000, 0.0056709800000000 ] - [ 0.0029663400000000, -0.0000404400000000, 0.0054725400000000 ] - [ 0.0014416000000000, 0.0009613500000000, 0.0071652400000000 ] - [ -0.0031682500000000, 0.0000000000000000, -0.0056725700000000 ] - [ -0.0029266900000000, 0.0000000000000000, -0.0054387500000000 ] - [ -0.0030458800000000, -0.0000535500000000, -0.0056332400000000 ] - [ -0.0028948800000000, -0.0000214900000000, -0.0054406700000000 ] - [ -0.0030458800000000, 0.0000535500000000, -0.0056332400000000 ] - [ -0.0028948800000000, 0.0000214900000000, -0.0054406700000000 ] - [ 0.0012871800000000, -0.0025335000000000, -0.0024980600000000 ] - [ 0.0013132400000000, -0.0000023900000000, -0.0009755500000000 ] - [ 0.0012226500000000, 0.0000000000000000, -0.0008361700000000 ] - [ 0.0013021900000000, 0.0000000000000000, -0.0009945100000000 ] - [ 0.0012871800000000, 0.0025335000000000, -0.0024980600000000 ] - [ 0.0013132400000000, 0.0000023900000000, -0.0009755500000000 ] - [ -0.0018986700000000, 0.0000000000000000, 0.0006764400000000 ] - [ 0.0005299500000000, 0.0000000000000000, -0.0004217600000000 ] - [ -0.0012227200000000, -0.0000608300000000, 0.0009529500000000 ] - [ -0.0013817600000000, -0.0001444600000000, 0.0009753400000000 ] - [ -0.0012227200000000, 0.0000608300000000, 0.0009529500000000 ] - [ -0.0013817600000000, 0.0001444600000000, 0.0009753400000000 ] - [ 0.0013783100000000, -0.0001358100000000, 0.0009975600000000 ] - [ 0.0012171100000000, -0.0000813500000000, 0.0009604000000000 ] - [ 0.0014573300000000, 0.0000000000000000, 0.0009556500000000 ] - [ 0.0011501500000000, 0.0000000000000000, 0.0009258400000000 ] - [ 0.0013783100000000, 0.0001358100000000, 0.0009975600000000 ] - [ 0.0012171100000000, 0.0000813500000000, 0.0009604000000000 ] - [ -0.0009371200000000, 0.0000000000000000, -0.0024447200000000 ] - [ -0.0012476500000000, 0.0000000000000000, -0.0009896700000000 ] - [ -0.0010176800000000, 0.0005926000000000, -0.0026514200000000 ] - [ -0.0012490600000000, -0.0000062900000000, -0.0009924200000000 ] - [ -0.0010176800000000, -0.0005926000000000, -0.0026514200000000 ] - [ -0.0012490600000000, 0.0000062900000000, -0.0009924200000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000577500000000, 0.0000048100000000, 0.0001749200000000 ] - [ 0.0002485900000000, -0.0002367800000000, -0.0000662400000000 ] - [ 0.0000577500000000, -0.0000048100000000, 0.0001749200000000 ] - [ 0.0002485900000000, 0.0002367800000000, -0.0000662400000000 ] - [ 0.0000944800000000, 0.0000000000000000, 0.0001893000000000 ] - [ 0.0001491600000000, 0.0000000000000000, 0.0000760200000000 ] - [ 0.0154220300000000, 0.0000000000000000, -0.0135353900000000 ] - [ -0.0001388400000000, 0.0000000000000000, -0.0001288300000000 ] - [ -0.0000994300000000, 0.0002822800000000, -0.0002661500000000 ] - [ -0.0001514400000000, 0.0000121300000000, -0.0001353400000000 ] - [ -0.0000994300000000, -0.0002822800000000, -0.0002661500000000 ] - [ -0.0001514400000000, -0.0000121300000000, -0.0001353400000000 ] - [ 0.0001344400000000, 0.0000418000000000, -0.0003161500000000 ] - [ 0.0000971500000000, -0.0000174400000000, -0.0001659600000000 ] - [ 0.0001344400000000, -0.0000418000000000, -0.0003161500000000 ] - [ 0.0000971500000000, 0.0000174400000000, -0.0001659600000000 ] - [ 0.0001375100000000, 0.0000000000000000, -0.0003581300000000 ] - [ 0.0000645600000000, 0.0000000000000000, -0.0001515900000000 ] - [ -0.0000638600000000, 0.0000000000000000, 0.0001932000000000 ] - [ 0.0006628100000000, 0.0000000000000000, 0.0005067000000000 ] - [ -0.0000359700000000, -0.0000413200000000, 0.0001775900000000 ] - [ -0.0001247400000000, -0.0002075200000000, -0.0001551800000000 ] - [ -0.0000359700000000, 0.0000413200000000, 0.0001775900000000 ] - [ -0.0001247400000000, 0.0002075200000000, -0.0001551800000000 ] - [ -0.0515994700000000, 0.0000000000000000, 0.0130169500000000 ] - [ 0.0019049700000000, 0.0000000000000000, 0.0092867500000000 ] - [ 0.0001491800000000, 0.0004434100000000, 0.0084616400000000 ] - [ 0.0018995500000000, -0.0000077400000000, 0.0093091800000000 ] - [ 0.0001491800000000, -0.0004434100000000, 0.0084616400000000 ] - [ 0.0018995500000000, 0.0000077400000000, 0.0093091800000000 ] - [ -0.0010590900000000, 0.0000192900000000, -0.0090692000000000 ] - [ -0.0017264100000000, -0.0007952900000000, -0.0104788500000000 ] - [ -0.0010590900000000, -0.0000192900000000, -0.0090692000000000 ] - [ -0.0017264100000000, 0.0007952900000000, -0.0104788500000000 ] - [ -0.0010733200000000, 0.0000000000000000, -0.0090879300000000 ] - [ -0.0020613600000000, 0.0000000000000000, -0.0095279700000000 ] - [ 0.0016576100000000, 0.0000000000000000, -0.0094519800000000 ] - [ 0.0016629500000000, 0.0000000000000000, -0.0090581500000000 ] - [ 0.0018870500000000, -0.0001660800000000, -0.0095016700000000 ] - [ 0.0018923800000000, 0.0001134400000000, -0.0091307900000000 ] - [ 0.0018870500000000, 0.0001660800000000, -0.0095016700000000 ] - [ 0.0018923800000000, -0.0001134400000000, -0.0091307900000000 ] - [ -0.0014084800000000, 0.0000011700000000, 0.0091520200000000 ] - [ -0.0011149100000000, -0.0000313800000000, 0.0091011100000000 ] - [ -0.0014084800000000, -0.0000011700000000, 0.0091520200000000 ] - [ -0.0011149100000000, 0.0000313800000000, 0.0091011100000000 ] - [ -0.0007225200000000, 0.0000000000000000, 0.0089773000000000 ] - [ -0.0010562000000000, 0.0000000000000000, 0.0090849600000000 ] - [ -0.0036698400000000, -0.0001102100000000, -0.0000209500000000 ] - [ -0.0027370100000000, -0.0000070500000000, 0.0004436700000000 ] - [ -0.0036698400000000, 0.0001102100000000, -0.0000209500000000 ] - [ -0.0027370100000000, 0.0000070500000000, 0.0004436700000000 ] - [ -0.0040266500000000, 0.0000000000000000, -0.0000475900000000 ] - [ -0.0027197600000000, 0.0000000000000000, 0.0004327900000000 ] - [ 0.0033557700000000, 0.0000000000000000, -0.0001418600000000 ] - [ 0.0040350500000000, 0.0000000000000000, 0.0020920200000000 ] - [ 0.0034461300000000, -0.0000113500000000, -0.0001143800000000 ] - [ 0.0038007600000000, 0.0017441300000000, 0.0010842000000000 ] - [ 0.0034461300000000, 0.0000113500000000, -0.0001143800000000 ] - [ 0.0038007600000000, -0.0017441300000000, 0.0010842000000000 ] - [ -0.0028287800000000, -0.0000439700000000, -0.0003587100000000 ] - [ -0.0023213500000000, -0.0011124700000000, -0.0013583000000000 ] - [ -0.0028287800000000, 0.0000439700000000, -0.0003587100000000 ] - [ -0.0023213500000000, 0.0011124700000000, -0.0013583000000000 ] - [ -0.0028261200000000, 0.0000000000000000, -0.0004080900000000 ] - [ -0.0031182400000000, 0.0000000000000000, -0.0002676700000000 ] - [ 0.0098181800000000, 0.0000000000000000, 0.0001565600000000 ] - [ 0.0034621800000000, 0.0000000000000000, 0.0000513800000000 ] - [ 0.0034839500000000, -0.0010990100000000, -0.0005887600000000 ] - [ 0.0034559600000000, 0.0001169200000000, 0.0000389200000000 ] - [ 0.0034839500000000, 0.0010990100000000, -0.0005887600000000 ] - [ 0.0034559600000000, -0.0001169200000000, 0.0000389200000000 ] - [ -0.0025997900000000, 0.0000000000000000, -0.0008157900000000 ] - [ -0.0020275800000000, 0.0000000000000000, -0.0014916600000000 ] - [ -0.0026655000000000, -0.0011230100000000, -0.0001009200000000 ] - [ -0.0019799900000000, 0.0000362200000000, -0.0014909100000000 ] - [ -0.0026655000000000, 0.0011230100000000, -0.0001009200000000 ] - [ -0.0019799900000000, -0.0000362200000000, -0.0014909100000000 ] - [ 0.0031276800000000, 0.0001637100000000, 0.0014829800000000 ] - [ 0.0051236600000000, -0.0015260200000000, 0.0022761800000000 ] - [ 0.0031276800000000, -0.0001637100000000, 0.0014829800000000 ] - [ 0.0051236600000000, 0.0015260200000000, 0.0022761800000000 ] - [ 0.0027844300000000, 0.0000000000000000, 0.0015562900000000 ] - [ 0.0022266900000000, 0.0000000000000000, 0.0015360700000000 ] - [ -0.0020586000000000, 0.0000000000000000, 0.0014800700000000 ] - [ -0.0025632300000000, 0.0000000000000000, 0.0018103700000000 ] - [ -0.0019994600000000, 0.0000282800000000, 0.0014218000000000 ] - [ -0.0026292100000000, 0.0001706100000000, 0.0015606600000000 ] - [ -0.0019994600000000, -0.0000282800000000, 0.0014218000000000 ] - [ -0.0026292100000000, -0.0001706100000000, 0.0015606600000000 ] - [ 0.0036091400000000, 0.0030162500000000, -0.0054630400000000 ] - [ 0.0030044500000000, -0.0000093900000000, -0.0015074900000000 ] - [ 0.0036091400000000, -0.0030162500000000, -0.0054630400000000 ] - [ 0.0030044500000000, 0.0000093900000000, -0.0015074900000000 ] - [ 0.0018256800000000, 0.0000000000000000, -0.0012561400000000 ] - [ 0.0028000700000000, 0.0000000000000000, -0.0015742100000000 ] - [ 0.0026279400000000, 0.0000000000000000, -0.0054707100000000 ] - [ 0.0025038500000000, 0.0000000000000000, -0.0049070400000000 ] - [ 0.0023678400000000, -0.0002336700000000, -0.0052199300000000 ] - [ 0.0027412500000000, -0.0003468400000000, -0.0051003100000000 ] - [ 0.0023678400000000, 0.0002336700000000, -0.0052199300000000 ] - [ 0.0027412500000000, 0.0003468400000000, -0.0051003100000000 ] - [ -0.0037604400000000, -0.0011930200000000, 0.0059855400000000 ] - [ -0.0041451800000000, -0.0001196700000000, 0.0053180900000000 ] - [ -0.0037604400000000, 0.0011930200000000, 0.0059855400000000 ] - [ -0.0041451800000000, 0.0001196700000000, 0.0053180900000000 ] - [ -0.0029329900000000, 0.0000000000000000, 0.0058761900000000 ] - [ -0.0033671800000000, 0.0000000000000000, 0.0056338500000000 ] - [ 0.0043547600000000, 0.0000000000000000, 0.0058749100000000 ] - [ 0.0024151600000000, 0.0000000000000000, 0.0052671500000000 ] - [ 0.0044659400000000, -0.0005454700000000, 0.0059924000000000 ] - [ 0.0023870400000000, 0.0000492500000000, 0.0052975900000000 ] - [ 0.0044659400000000, 0.0005454700000000, 0.0059924000000000 ] - [ 0.0023870400000000, -0.0000492500000000, 0.0052975900000000 ] - [ -0.0037789800000000, 0.0000776800000000, -0.0055217400000000 ] - [ 0.0006360500000000, -0.0014854200000000, -0.0030525600000000 ] - [ -0.0037789800000000, -0.0000776800000000, -0.0055217400000000 ] - [ 0.0006360500000000, 0.0014854200000000, -0.0030525600000000 ] - [ -0.0036407500000000, 0.0000000000000000, -0.0056167400000000 ] - [ -0.0019249100000000, 0.0000000000000000, -0.0048214100000000 ] - [ 0.0003253500000000, 0.0000000000000000, -0.0013199800000000 ] - [ 0.0024689400000000, 0.0000000000000000, -0.0000658800000000 ] - [ 0.0008101200000000, 0.0000681100000000, -0.0010677100000000 ] - [ 0.0017289700000000, -0.0007423200000000, -0.0007932400000000 ] - [ 0.0008101200000000, -0.0000681100000000, -0.0010677100000000 ] - [ 0.0017289700000000, 0.0007423200000000, -0.0007932400000000 ] - [ 0.0039001300000000, 0.0026752800000000, 0.0045842200000000 ] - [ -0.0018507800000000, 0.0000209200000000, 0.0009987200000000 ] - [ 0.0039001300000000, -0.0026752800000000, 0.0045842200000000 ] - [ -0.0018507800000000, -0.0000209200000000, 0.0009987200000000 ] - [ -0.0000935200000000, 0.0000000000000000, 0.0013469000000000 ] - [ -0.0017737000000000, 0.0000000000000000, 0.0010395300000000 ] - [ 0.0016544400000000, 0.0000000000000000, 0.0013634000000000 ] - [ 0.0007584000000000, 0.0000000000000000, 0.0008910900000000 ] - [ 0.0017067700000000, 0.0006860100000000, 0.0015404400000000 ] - [ 0.0007061400000000, -0.0000023200000000, 0.0009668900000000 ] - [ 0.0017067700000000, -0.0006860100000000, 0.0015404400000000 ] - [ 0.0007061400000000, 0.0000023200000000, 0.0009668900000000 ] - [ -0.0016526200000000, 0.0000641700000000, -0.0008485300000000 ] - [ -0.0016060500000000, 0.0002860000000000, -0.0014478300000000 ] - [ -0.0016526200000000, -0.0000641700000000, -0.0008485300000000 ] - [ -0.0016060500000000, -0.0002860000000000, -0.0014478300000000 ] - [ -0.0018887000000000, 0.0000000000000000, -0.0009090200000000 ] - [ -0.0019405300000000, 0.0000000000000000, -0.0013819000000000 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001746900000000, -0.0000043800000000, 0.0001271700000000 ] - [ -0.0000079000000000, 0.0002350700000000, 0.0003655000000000 ] - [ 0.0001746900000000, 0.0000043800000000, 0.0001271700000000 ] - [ -0.0000079000000000, -0.0002350700000000, 0.0003655000000000 ] - [ 0.0001367200000000, 0.0000000000000000, 0.0001073100000000 ] - [ 0.0000840400000000, 0.0000000000000000, 0.0002190200000000 ] - [ -0.0165036500000000, 0.0000000000000000, 0.0140185800000000 ] - [ -0.0000896500000000, 0.0000000000000000, -0.0001600800000000 ] - [ -0.0001319200000000, -0.0002789100000000, -0.0000301400000000 ] - [ -0.0000797000000000, -0.0000113200000000, -0.0001583000000000 ] - [ -0.0001319200000000, 0.0002789100000000, -0.0000301400000000 ] - [ -0.0000797000000000, 0.0000113200000000, -0.0001583000000000 ] - [ 0.0000963400000000, -0.0000437500000000, 0.0000185700000000 ] - [ 0.0001352400000000, 0.0000170500000000, -0.0001335800000000 ] - [ 0.0000963400000000, 0.0000437500000000, 0.0000185700000000 ] - [ 0.0001352400000000, -0.0000170500000000, -0.0001335800000000 ] - [ 0.0000918200000000, 0.0000000000000000, 0.0000640000000000 ] - [ 0.0001671500000000, 0.0000000000000000, -0.0001377600000000 ] - [ -0.0001698200000000, 0.0000000000000000, 0.0001106800000000 ] - [ -0.0008890800000000, 0.0000000000000000, -0.0002049500000000 ] - [ -0.0001955000000000, 0.0000402900000000, 0.0001191400000000 ] - [ -0.0001045700000000, 0.0002026400000000, 0.0004411400000000 ] - [ -0.0001955000000000, -0.0000402900000000, 0.0001191400000000 ] - [ -0.0001045700000000, -0.0002026400000000, 0.0004411400000000 ] - [ 0.0554746300000000, 0.0000000000000000, 0.0049015700000000 ] - [ 0.0010185700000000, 0.0000000000000000, 0.0090867100000000 ] - [ 0.0027717000000000, -0.0004553700000000, 0.0099164500000000 ] - [ 0.0010211800000000, 0.0000080100000000, 0.0090649100000000 ] - [ 0.0027717000000000, 0.0004553700000000, 0.0099164500000000 ] - [ 0.0010211800000000, -0.0000080100000000, 0.0090649100000000 ] - [ -0.0018547200000000, -0.0000198700000000, -0.0093073700000000 ] - [ -0.0011970000000000, 0.0007989900000000, -0.0078917800000000 ] - [ -0.0018547200000000, 0.0000198700000000, -0.0093073700000000 ] - [ -0.0011970000000000, -0.0007989900000000, -0.0078917800000000 ] - [ -0.0018422800000000, 0.0000000000000000, -0.0092868000000000 ] - [ -0.0008537900000000, 0.0000000000000000, -0.0088503600000000 ] - [ 0.0012580400000000, 0.0000000000000000, -0.0089356000000000 ] - [ 0.0012575800000000, 0.0000000000000000, -0.0093113600000000 ] - [ 0.0010280100000000, 0.0001614800000000, -0.0088791400000000 ] - [ 0.0010312200000000, -0.0001119800000000, -0.0092379000000000 ] - [ 0.0010280100000000, -0.0001614800000000, -0.0088791400000000 ] - [ 0.0010312200000000, 0.0001119800000000, -0.0092379000000000 ] - [ -0.0015120400000000, -0.0000002500000000, 0.0092165000000000 ] - [ -0.0017969400000000, 0.0000312600000000, 0.0092733900000000 ] - [ -0.0015120400000000, 0.0000002500000000, 0.0092165000000000 ] - [ -0.0017969400000000, -0.0000312600000000, 0.0092733900000000 ] - [ -0.0022028200000000, 0.0000000000000000, 0.0093877500000000 ] - [ -0.0018600200000000, 0.0000000000000000, 0.0092853500000000 ] - [ -0.0024224900000000, 0.0001087600000000, 0.0005321400000000 ] - [ -0.0033597000000000, 0.0000072700000000, 0.0000768300000000 ] - [ -0.0024224900000000, -0.0001087600000000, 0.0005321400000000 ] - [ -0.0033597000000000, -0.0000072700000000, 0.0000768300000000 ] - [ -0.0020589200000000, 0.0000000000000000, 0.0005550300000000 ] - [ -0.0033729900000000, 0.0000000000000000, 0.0000844900000000 ] - [ 0.0027499200000000, 0.0000000000000000, -0.0003811900000000 ] - [ 0.0020350500000000, 0.0000000000000000, -0.0026065100000000 ] - [ 0.0026540500000000, 0.0000110900000000, -0.0004059300000000 ] - [ 0.0022813800000000, -0.0017575500000000, -0.0016094700000000 ] - [ 0.0026540500000000, -0.0000110900000000, -0.0004059300000000 ] - [ 0.0022813800000000, 0.0017575500000000, -0.0016094700000000 ] - [ -0.0032648900000000, 0.0000435300000000, -0.0001609700000000 ] - [ -0.0037628500000000, 0.0010887400000000, 0.0008159000000000 ] - [ -0.0032648900000000, -0.0000435300000000, -0.0001609700000000 ] - [ -0.0037628500000000, -0.0010887400000000, 0.0008159000000000 ] - [ -0.0032673600000000, 0.0000000000000000, -0.0001096900000000 ] - [ -0.0029822100000000, 0.0000000000000000, -0.0002530300000000 ] - [ -0.0038447700000000, 0.0000000000000000, 0.0003620100000000 ] - [ 0.0026248000000000, 0.0000000000000000, 0.0004630700000000 ] - [ 0.0026041200000000, 0.0011030500000000, 0.0011152400000000 ] - [ 0.0026342000000000, -0.0001158300000000, 0.0004774700000000 ] - [ 0.0026041200000000, -0.0011030500000000, 0.0011152400000000 ] - [ 0.0026342000000000, 0.0001158300000000, 0.0004774700000000 ] - [ -0.0021775800000000, 0.0000000000000000, -0.0022321700000000 ] - [ -0.0027459800000000, 0.0000000000000000, -0.0015618900000000 ] - [ -0.0021089900000000, 0.0011307300000000, -0.0029543300000000 ] - [ -0.0027914600000000, -0.0000394100000000, -0.0015587300000000 ] - [ -0.0021089900000000, -0.0011307300000000, -0.0029543300000000 ] - [ -0.0027914600000000, 0.0000394100000000, -0.0015587300000000 ] - [ 0.0016485800000000, -0.0001613500000000, 0.0015748900000000 ] - [ -0.0003120600000000, 0.0014890400000000, 0.0007814900000000 ] - [ 0.0016485800000000, 0.0001613500000000, 0.0015748900000000 ] - [ -0.0003120600000000, -0.0014890400000000, 0.0007814900000000 ] - [ 0.0019912900000000, 0.0000000000000000, 0.0014972400000000 ] - [ 0.0025438800000000, 0.0000000000000000, 0.0015075100000000 ] - [ -0.0027148700000000, 0.0000000000000000, 0.0015663000000000 ] - [ -0.0022151100000000, 0.0000000000000000, 0.0012414100000000 ] - [ -0.0027741600000000, -0.0000309100000000, 0.0016227200000000 ] - [ -0.0021477200000000, -0.0001711800000000, 0.0014878400000000 ] - [ -0.0027741600000000, 0.0000309100000000, 0.0016227200000000 ] - [ -0.0021477200000000, 0.0001711800000000, 0.0014878400000000 ] - [ 0.0011727500000000, -0.0030162300000000, 0.0024246600000000 ] - [ 0.0017719900000000, 0.0000063700000000, -0.0015333900000000 ] - [ 0.0011727500000000, 0.0030162300000000, 0.0024246600000000 ] - [ 0.0017719900000000, -0.0000063700000000, -0.0015333900000000 ] - [ 0.0029495700000000, 0.0000000000000000, -0.0017892800000000 ] - [ 0.0019734000000000, 0.0000000000000000, -0.0014687200000000 ] - [ 0.0033401700000000, 0.0000000000000000, -0.0053888100000000 ] - [ 0.0034617300000000, 0.0000000000000000, -0.0059462700000000 ] - [ 0.0036041900000000, 0.0002339500000000, -0.0056387400000000 ] - [ 0.0032246000000000, 0.0003393700000000, -0.0057553000000000 ] - [ 0.0036041900000000, -0.0002339500000000, -0.0056387400000000 ] - [ 0.0032246000000000, -0.0003393700000000, -0.0057553000000000 ] - [ -0.0022538500000000, 0.0011807200000000, 0.0048720200000000 ] - [ -0.0018290100000000, 0.0001177800000000, 0.0055415500000000 ] - [ -0.0022538500000000, -0.0011807200000000, 0.0048720200000000 ] - [ -0.0018290100000000, -0.0001177800000000, 0.0055415500000000 ] - [ -0.0030459600000000, 0.0000000000000000, 0.0049820400000000 ] - [ -0.0026014400000000, 0.0000000000000000, 0.0052283600000000 ] - [ 0.0016230100000000, 0.0000000000000000, 0.0049904400000000 ] - [ 0.0035510900000000, 0.0000000000000000, 0.0055941000000000 ] - [ 0.0015057700000000, 0.0005467200000000, 0.0048721100000000 ] - [ 0.0035796900000000, -0.0000507000000000, 0.0055633900000000 ] - [ 0.0015057700000000, -0.0005467200000000, 0.0048721100000000 ] - [ 0.0035796900000000, 0.0000507000000000, 0.0055633900000000 ] - [ -0.0021862600000000, -0.0000766700000000, -0.0053399600000000 ] - [ -0.0066096400000000, 0.0014701200000000, -0.0078109800000000 ] - [ -0.0021862600000000, 0.0000766700000000, -0.0053399600000000 ] - [ -0.0066096400000000, -0.0014701200000000, -0.0078109800000000 ] - [ -0.0023274700000000, 0.0000000000000000, -0.0052448000000000 ] - [ -0.0040407100000000, 0.0000000000000000, -0.0060423100000000 ] - [ 0.0021982100000000, 0.0000000000000000, -0.0006306300000000 ] - [ 0.0001911400000000, 0.0000000000000000, -0.0019742300000000 ] - [ 0.0017111900000000, -0.0000681200000000, -0.0008868900000000 ] - [ 0.0008007400000000, 0.0007378200000000, -0.0011653700000000 ] - [ 0.0017111900000000, 0.0000681200000000, -0.0008868900000000 ] - [ 0.0008007400000000, -0.0007378200000000, -0.0011653700000000 ] - [ -0.0064954100000000, -0.0028074900000000, -0.0027546500000000 ] - [ -0.0006754000000000, -0.0000198500000000, 0.0009515400000000 ] - [ -0.0064954100000000, 0.0028074900000000, -0.0027546500000000 ] - [ -0.0006754000000000, 0.0000198500000000, 0.0009515400000000 ] - [ -0.0024328900000000, 0.0000000000000000, 0.0005969800000000 ] - [ -0.0007509400000000, 0.0000000000000000, 0.0009115500000000 ] - [ 0.0008667100000000, 0.0000000000000000, 0.0006042600000000 ] - [ 0.0017618800000000, 0.0000000000000000, 0.0010650600000000 ] - [ 0.0008148900000000, -0.0006796600000000, 0.0004286700000000 ] - [ 0.0018139200000000, 0.0000018000000000, 0.0009889800000000 ] - [ 0.0008148900000000, 0.0006796600000000, 0.0004286700000000 ] - [ 0.0018139200000000, -0.0000018000000000, 0.0009889800000000 ] - [ -0.0008733000000000, -0.0000651300000000, -0.0011064300000000 ] - [ -0.0009085600000000, -0.0002873000000000, -0.0005035400000000 ] - [ -0.0008733000000000, 0.0000651300000000, -0.0011064300000000 ] - [ -0.0009085600000000, 0.0002873000000000, -0.0005035400000000 ] - [ -0.0006345000000000, 0.0000000000000000, -0.0010437400000000 ] - [ -0.0005743800000000, 0.0000000000000000, -0.0005652900000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000741800000000, -0.0000126900000000, 0.0001055000000000 ] - [ 0.0003130900000000, 0.0000099100000000, 0.0000723300000000 ] - [ 0.0001472100000000, -0.0000121200000000, 0.0001810900000000 ] - [ -0.0000883800000000, 0.0000093400000000, 0.0001898800000000 ] - [ 0.0001131900000000, 0.0000314800000000, 0.0001302100000000 ] - [ 0.0001113500000000, 0.0000212200000000, 0.0001436700000000 ] - [ -0.0000431900000000, -0.0008335700000000, -0.0001716700000000 ] - [ -0.0001076800000000, -0.0000153700000000, -0.0001304300000000 ] - [ -0.0000339000000000, -0.0002500900000000, -0.0003425400000000 ] - [ -0.0001139900000000, 0.0000037700000000, -0.0001333100000000 ] - [ -0.0002020800000000, -0.0002546000000000, 0.0000528400000000 ] - [ -0.0001081300000000, 0.0000057900000000, -0.0001354200000000 ] - [ 0.0001331800000000, 0.0001535300000000, -0.0002425000000000 ] - [ 0.0001151400000000, -0.0000219200000000, -0.0001304600000000 ] - [ 0.0000908200000000, 0.0001548300000000, -0.0000327400000000 ] - [ 0.0001040000000000, -0.0000209200000000, -0.0001252800000000 ] - [ 0.0001096000000000, -0.0012727800000000, -0.0001282300000000 ] - [ 0.0001123300000000, 0.0000129400000000, -0.0001322300000000 ] - [ -0.0001079300000000, -0.0000131000000000, 0.0001276300000000 ] - [ -0.0001197900000000, -0.0000405600000000, 0.0001451200000000 ] - [ -0.0001314700000000, 0.0000265300000000, 0.0001773400000000 ] - [ -0.0001020600000000, -0.0000898600000000, 0.0000600600000000 ] - [ -0.0000987600000000, 0.0000263500000000, 0.0001226200000000 ] - [ -0.0001299400000000, -0.0000920500000000, 0.0002236400000000 ] - [ 0.0013710100000000, -0.0509493600000000, 0.0088637300000000 ] - [ 0.0014599700000000, -0.0000414200000000, 0.0092035600000000 ] - [ 0.0010010300000000, 0.0054822500000000, 0.0091093100000000 ] - [ 0.0014667700000000, 0.0000187600000000, 0.0092041400000000 ] - [ 0.0019074200000000, 0.0054109500000000, 0.0093000300000000 ] - [ 0.0014510400000000, 0.0000203100000000, 0.0092065300000000 ] - [ -0.0014377100000000, 0.0000006300000000, -0.0092045900000000 ] - [ -0.0022512500000000, 0.0008723100000000, -0.0075508300000000 ] - [ -0.0014756300000000, 0.0000005700000000, -0.0092076400000000 ] - [ -0.0006559800000000, 0.0008735400000000, -0.0108761800000000 ] - [ -0.0014547700000000, 0.0000124300000000, -0.0092088000000000 ] - [ -0.0014582100000000, 0.0003177000000000, -0.0092058400000000 ] - [ 0.0014573500000000, -0.0001933200000000, -0.0092077500000000 ] - [ 0.0014647700000000, -0.0001924000000000, -0.0092021600000000 ] - [ 0.0013457400000000, 0.0002118900000000, -0.0091898200000000 ] - [ 0.0016227200000000, 0.0002118900000000, -0.0089048900000000 ] - [ 0.0015691800000000, 0.0002127800000000, -0.0092221200000000 ] - [ 0.0012974000000000, 0.0002120100000000, -0.0095067400000000 ] - [ -0.0014595500000000, -0.0001656100000000, 0.0092325800000000 ] - [ -0.0014859800000000, -0.0000445300000000, 0.0091937900000000 ] - [ -0.0014620200000000, -0.0001649200000000, 0.0091753600000000 ] - [ -0.0014234300000000, -0.0000455200000000, 0.0092229400000000 ] - [ -0.0014581000000000, 0.0007886500000000, 0.0092028000000000 ] - [ -0.0014585000000000, 0.0000883900000000, 0.0092071300000000 ] - [ -0.0029576400000000, -0.0001632600000000, 0.0003256300000000 ] - [ -0.0030582700000000, -0.0000191200000000, 0.0002586000000000 ] - [ -0.0031381600000000, -0.0001638000000000, 0.0002290500000000 ] - [ -0.0030511100000000, -0.0000190100000000, 0.0003046900000000 ] - [ -0.0030505600000000, 0.0006681700000000, 0.0002770800000000 ] - [ -0.0030494700000000, 0.0000590000000000, 0.0002790400000000 ] - [ 0.0030526300000000, -0.0000210400000000, -0.0002811500000000 ] - [ 0.0030417100000000, -0.0017653300000000, -0.0002815300000000 ] - [ 0.0030289700000000, 0.0000532700000000, -0.0002652900000000 ] - [ 0.0047502500000000, 0.0049208300000000, 0.0024111000000000 ] - [ 0.0030755400000000, 0.0000541200000000, -0.0002951400000000 ] - [ 0.0013583500000000, 0.0049047200000000, -0.0029594100000000 ] - [ -0.0029939600000000, -0.0000642400000000, -0.0002595300000000 ] - [ -0.0031072400000000, -0.0000682900000000, -0.0001402300000000 ] - [ -0.0031081800000000, -0.0000642700000000, -0.0003017700000000 ] - [ -0.0030002000000000, -0.0000748700000000, -0.0004166100000000 ] - [ -0.0030526800000000, 0.0000767600000000, -0.0002814500000000 ] - [ -0.0030493400000000, 0.0001647500000000, -0.0002789800000000 ] - [ 0.0030633800000000, -0.0011129300000000, 0.0002756500000000 ] - [ 0.0030496400000000, -0.0001728200000000, 0.0002762900000000 ] - [ 0.0020597400000000, 0.0013013100000000, 0.0015048800000000 ] - [ 0.0031655800000000, 0.0001486800000000, 0.0002307700000000 ] - [ 0.0040436800000000, 0.0013048500000000, -0.0009446700000000 ] - [ 0.0029342800000000, 0.0001496200000000, 0.0003251600000000 ] - [ -0.0023802600000000, -0.0005903200000000, -0.0015227500000000 ] - [ -0.0023848400000000, -0.0000276300000000, -0.0015321600000000 ] - [ -0.0024907300000000, 0.0020122900000000, -0.0034190500000000 ] - [ -0.0023749600000000, 0.0000179200000000, -0.0015275000000000 ] - [ -0.0022782400000000, 0.0019979100000000, 0.0003528200000000 ] - [ -0.0023941500000000, 0.0000267000000000, -0.0015317500000000 ] - [ 0.0024531300000000, -0.0000041800000000, 0.0015345800000000 ] - [ -0.0006259700000000, 0.0006347600000000, 0.0011932000000000 ] - [ 0.0023182700000000, -0.0000079700000000, 0.0015219800000000 ] - [ 0.0054053400000000, 0.0006427200000000, 0.0018507000000000 ] - [ 0.0023852800000000, 0.0000881000000000, 0.0015275900000000 ] - [ 0.0023874000000000, 0.0003274300000000, 0.0015265000000000 ] - [ -0.0023850300000000, -0.0000280200000000, 0.0015286000000000 ] - [ -0.0023850200000000, -0.0002175900000000, 0.0015312300000000 ] - [ -0.0024086400000000, 0.0000522000000000, 0.0014410800000000 ] - [ -0.0021647200000000, 0.0002464500000000, 0.0013211900000000 ] - [ -0.0023612600000000, 0.0000484300000000, 0.0016179800000000 ] - [ -0.0026026100000000, 0.0002519400000000, 0.0017351400000000 ] - [ 0.0045252700000000, 0.0013776400000000, -0.0043841500000000 ] - [ 0.0021649800000000, -0.0000676400000000, -0.0016180200000000 ] - [ 0.0002375100000000, 0.0013697200000000, 0.0013226200000000 ] - [ 0.0026062000000000, -0.0000673500000000, -0.0014361500000000 ] - [ 0.0023829800000000, 0.0002464600000000, -0.0015290800000000 ] - [ 0.0023853800000000, 0.0000577000000000, -0.0015274700000000 ] - [ 0.0029862300000000, 0.0001531600000000, -0.0054303300000000 ] - [ 0.0029924800000000, 0.0002142200000000, -0.0054328700000000 ] - [ 0.0036562100000000, 0.0000029700000000, -0.0051483100000000 ] - [ 0.0029356500000000, -0.0001034200000000, -0.0054135000000000 ] - [ 0.0023234200000000, 0.0000030300000000, -0.0057091500000000 ] - [ 0.0030531200000000, -0.0000939900000000, -0.0054466300000000 ] - [ -0.0034534800000000, 0.0006947100000000, 0.0052721900000000 ] - [ -0.0021818900000000, 0.0002479400000000, 0.0056792800000000 ] - [ -0.0025307000000000, 0.0007101300000000, 0.0055827100000000 ] - [ -0.0037848500000000, 0.0002551100000000, 0.0051805400000000 ] - [ -0.0029880300000000, -0.0009746100000000, 0.0054340300000000 ] - [ -0.0029869400000000, -0.0002169400000000, 0.0054258100000000 ] - [ 0.0029912400000000, 0.0005921900000000, 0.0054255100000000 ] - [ 0.0029838300000000, 0.0000293500000000, 0.0054279800000000 ] - [ 0.0027240000000000, -0.0000885800000000, 0.0056496200000000 ] - [ 0.0029850000000000, -0.0000205400000000, 0.0054278600000000 ] - [ 0.0032499400000000, -0.0000915400000000, 0.0052053400000000 ] - [ 0.0029894000000000, -0.0000138000000000, 0.0054309700000000 ] - [ -0.0029581200000000, 0.0000056300000000, -0.0054229900000000 ] - [ -0.0054230300000000, 0.0103495300000000, -0.0140416300000000 ] - [ -0.0030187100000000, 0.0000071000000000, -0.0054386600000000 ] - [ -0.0003965100000000, 0.0107573800000000, 0.0036961300000000 ] - [ -0.0029883400000000, -0.0000368200000000, -0.0054281800000000 ] - [ -0.0029963100000000, -0.0042154400000000, -0.0054367900000000 ] - [ 0.0012576300000000, 0.0001158700000000, -0.0009808900000000 ] - [ 0.0012684600000000, 0.0011833700000000, -0.0009885900000000 ] - [ 0.0013576200000000, -0.0000549900000000, -0.0009447300000000 ] - [ 0.0007735800000000, -0.0005910100000000, -0.0005031900000000 ] - [ 0.0011690600000000, -0.0000564800000000, -0.0010245800000000 ] - [ 0.0017481800000000, -0.0005988500000000, -0.0014623800000000 ] - [ 0.0011105300000000, 0.0030613400000000, 0.0030748100000000 ] - [ -0.0012521700000000, 0.0000455400000000, 0.0009905000000000 ] - [ -0.0038017000000000, 0.0032007400000000, -0.0012158500000000 ] - [ -0.0012768100000000, 0.0000374600000000, 0.0009656700000000 ] - [ -0.0012552300000000, -0.0020953200000000, 0.0009845900000000 ] - [ -0.0012629600000000, -0.0001180900000000, 0.0009763900000000 ] - [ 0.0012613600000000, 0.0009353900000000, 0.0009781400000000 ] - [ 0.0012644400000000, 0.0000800000000000, 0.0009849400000000 ] - [ 0.0013526400000000, -0.0007791600000000, 0.0003070200000000 ] - [ 0.0011395500000000, -0.0000255700000000, 0.0008732200000000 ] - [ 0.0011819100000000, -0.0007885900000000, 0.0016618000000000 ] - [ 0.0013878200000000, -0.0000232100000000, 0.0011000100000000 ] - [ -0.0012774800000000, 0.0000350300000000, -0.0009844200000000 ] - [ -0.0011680800000000, 0.0005079500000000, -0.0007946000000000 ] - [ -0.0012445500000000, 0.0000379700000000, -0.0009773000000000 ] - [ -0.0013611400000000, 0.0005169300000000, -0.0011748300000000 ] - [ -0.0012588200000000, -0.0000959200000000, -0.0009818600000000 ] - [ -0.0012697400000000, -0.0016459900000000, -0.0009837400000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000813100000000, -0.0000203500000000, 0.0001213500000000 ] - [ 0.0003225800000000, 0.0001959200000000, 0.0000450100000000 ] - [ 0.0000813100000000, 0.0000203500000000, 0.0001213500000000 ] - [ 0.0003225800000000, -0.0001959200000000, 0.0000450100000000 ] - [ 0.0000986900000000, 0.0000000000000000, 0.0001470800000000 ] - [ 0.0001551200000000, 0.0000000000000000, 0.0001043900000000 ] - [ -0.0128589100000000, 0.0000000000000000, 0.0096135200000000 ] - [ -0.0001041400000000, 0.0000000000000000, -0.0001262000000000 ] - [ -0.0002128800000000, 0.0000038000000000, 0.0001298000000000 ] - [ -0.0001198400000000, 0.0000018500000000, -0.0001479000000000 ] - [ -0.0002128800000000, -0.0000038000000000, 0.0001298000000000 ] - [ -0.0001198400000000, -0.0000018500000000, -0.0001479000000000 ] - [ 0.0001683100000000, 0.0000487000000000, -0.0003566300000000 ] - [ 0.0000550000000000, 0.0000013800000000, -0.0001892700000000 ] - [ 0.0001683100000000, -0.0000487000000000, -0.0003566300000000 ] - [ 0.0000550000000000, -0.0000013800000000, -0.0001892700000000 ] - [ 0.0001692700000000, 0.0000000000000000, -0.0006796300000000 ] - [ 0.0000456000000000, 0.0000000000000000, -0.0002151000000000 ] - [ -0.0001002600000000, 0.0000000000000000, 0.0001925600000000 ] - [ 0.0005792400000000, 0.0000000000000000, 0.0007553500000000 ] - [ -0.0001137200000000, 0.0000465900000000, 0.0001868000000000 ] - [ -0.0001451300000000, 0.0000867300000000, 0.0001778000000000 ] - [ -0.0001137200000000, -0.0000465900000000, 0.0001868000000000 ] - [ -0.0001451300000000, -0.0000867300000000, 0.0001778000000000 ] - [ 0.0056405000000000, 0.0000000000000000, -0.0499850700000000 ] - [ 0.0015588600000000, 0.0000000000000000, 0.0091770200000000 ] - [ 0.0007253500000000, 0.0000943500000000, 0.0078176000000000 ] - [ 0.0015803100000000, 0.0000015000000000, 0.0091794600000000 ] - [ 0.0007253500000000, -0.0000943500000000, 0.0078176000000000 ] - [ 0.0015803100000000, -0.0000015000000000, 0.0091794600000000 ] - [ -0.0013319100000000, 0.0000006000000000, -0.0091830400000000 ] - [ -0.0027338000000000, 0.0016465300000000, -0.0065385600000000 ] - [ -0.0013319100000000, -0.0000006000000000, -0.0091830400000000 ] - [ -0.0027338000000000, -0.0016465300000000, -0.0065385600000000 ] - [ -0.0013506500000000, 0.0000000000000000, -0.0091928000000000 ] - [ -0.0017895500000000, 0.0000000000000000, -0.0092843300000000 ] - [ 0.0013173200000000, 0.0000000000000000, -0.0091840600000000 ] - [ 0.0017105900000000, 0.0000000000000000, -0.0091756400000000 ] - [ 0.0013965400000000, 0.0003003900000000, -0.0093511600000000 ] - [ 0.0017665400000000, 0.0000151200000000, -0.0093495200000000 ] - [ 0.0013965400000000, -0.0003003900000000, -0.0093511600000000 ] - [ 0.0017665400000000, -0.0000151200000000, -0.0093495200000000 ] - [ -0.0014264700000000, -0.0000270100000000, 0.0094877500000000 ] - [ -0.0013635200000000, 0.0000149000000000, 0.0094983200000000 ] - [ -0.0014264700000000, 0.0000270100000000, 0.0094877500000000 ] - [ -0.0013635200000000, -0.0000149000000000, 0.0094983200000000 ] - [ -0.0012499200000000, 0.0000000000000000, 0.0103254900000000 ] - [ -0.0013526200000000, 0.0000000000000000, 0.0095482300000000 ] - [ -0.0030338900000000, -0.0000366000000000, 0.0007929800000000 ] - [ -0.0029479600000000, -0.0000013700000000, 0.0003867000000000 ] - [ -0.0030338900000000, 0.0000366000000000, 0.0007929800000000 ] - [ -0.0029479600000000, 0.0000013700000000, 0.0003867000000000 ] - [ -0.0030766200000000, 0.0000000000000000, 0.0011571300000000 ] - [ -0.0029576200000000, 0.0000000000000000, 0.0003798700000000 ] - [ 0.0031274200000000, 0.0000000000000000, -0.0002211900000000 ] - [ 0.0058827000000000, 0.0000000000000000, 0.0037736600000000 ] - [ 0.0030913700000000, 0.0000390400000000, -0.0002267300000000 ] - [ 0.0046412700000000, 0.0029381800000000, 0.0020797800000000 ] - [ 0.0030913700000000, -0.0000390400000000, -0.0002267300000000 ] - [ 0.0046412700000000, -0.0029381800000000, 0.0020797800000000 ] - [ -0.0028770400000000, 0.0000136500000000, -0.0002954700000000 ] - [ -0.0036242600000000, 0.0008248100000000, 0.0006109600000000 ] - [ -0.0028770400000000, -0.0000136500000000, -0.0002954700000000 ] - [ -0.0036242600000000, -0.0008248100000000, 0.0006109600000000 ] - [ -0.0029185200000000, 0.0000000000000000, -0.0003305400000000 ] - [ -0.0030101400000000, 0.0000000000000000, -0.0002819100000000 ] - [ 0.0021613200000000, 0.0000000000000000, -0.0005968600000000 ] - [ 0.0032166600000000, 0.0000000000000000, 0.0000783900000000 ] - [ 0.0040153200000000, -0.0012046300000000, -0.0014613100000000 ] - [ 0.0032277300000000, 0.0000482900000000, 0.0001350200000000 ] - [ 0.0040153200000000, 0.0012046300000000, -0.0014613100000000 ] - [ 0.0032277300000000, -0.0000482900000000, 0.0001350200000000 ] - [ -0.0022634800000000, 0.0000000000000000, -0.0009748800000000 ] - [ -0.0023951800000000, 0.0000000000000000, -0.0015311500000000 ] - [ -0.0023181600000000, -0.0014561000000000, 0.0004203300000000 ] - [ -0.0024083200000000, -0.0000469800000000, -0.0014861900000000 ] - [ -0.0023181600000000, 0.0014561000000000, 0.0004203300000000 ] - [ -0.0024083200000000, 0.0000469800000000, -0.0014861900000000 ] - [ 0.0023088100000000, -0.0000346100000000, 0.0014934300000000 ] - [ 0.0037414200000000, -0.0002994400000000, 0.0008032000000000 ] - [ 0.0023088100000000, 0.0000346100000000, 0.0014934300000000 ] - [ 0.0037414200000000, 0.0002994400000000, 0.0008032000000000 ] - [ 0.0026344300000000, 0.0000000000000000, 0.0014497600000000 ] - [ 0.0022858500000000, 0.0000000000000000, 0.0011591700000000 ] - [ -0.0022191000000000, 0.0000000000000000, 0.0016149400000000 ] - [ -0.0024973400000000, 0.0000000000000000, 0.0021330700000000 ] - [ -0.0022508700000000, -0.0000293200000000, 0.0016783000000000 ] - [ -0.0026413500000000, -0.0003058500000000, 0.0022871600000000 ] - [ -0.0022508700000000, 0.0000293200000000, 0.0016783000000000 ] - [ -0.0026413500000000, 0.0003058500000000, 0.0022871600000000 ] - [ -0.0007472500000000, -0.0035084500000000, 0.0022408800000000 ] - [ 0.0025883400000000, 0.0000223300000000, -0.0015088400000000 ] - [ -0.0007472500000000, 0.0035084500000000, 0.0022408800000000 ] - [ 0.0025883400000000, -0.0000223300000000, -0.0015088400000000 ] - [ 0.0020903800000000, 0.0000000000000000, -0.0018137000000000 ] - [ 0.0025187500000000, 0.0000000000000000, -0.0015574200000000 ] - [ 0.0024035100000000, 0.0000000000000000, -0.0056311100000000 ] - [ 0.0032118800000000, 0.0000000000000000, -0.0058624200000000 ] - [ 0.0020886200000000, -0.0000177200000000, -0.0057592100000000 ] - [ 0.0030217200000000, 0.0002821500000000, -0.0057713300000000 ] - [ 0.0020886200000000, 0.0000177200000000, -0.0057592100000000 ] - [ 0.0030217200000000, -0.0002821500000000, -0.0057713300000000 ] - [ -0.0021415800000000, 0.0006573700000000, 0.0064265400000000 ] - [ -0.0035069200000000, 0.0000075700000000, 0.0055235600000000 ] - [ -0.0021415800000000, -0.0006573700000000, 0.0064265400000000 ] - [ -0.0035069200000000, -0.0000075700000000, 0.0055235600000000 ] - [ -0.0029673600000000, 0.0000000000000000, 0.0065081500000000 ] - [ -0.0031431700000000, 0.0000000000000000, 0.0056503900000000 ] - [ 0.0032003500000000, 0.0000000000000000, 0.0046848600000000 ] - [ 0.0028630900000000, 0.0000000000000000, 0.0053622200000000 ] - [ 0.0034921900000000, 0.0001543300000000, 0.0051129700000000 ] - [ 0.0028710700000000, 0.0000097100000000, 0.0053683000000000 ] - [ 0.0034921900000000, -0.0001543300000000, 0.0051129700000000 ] - [ 0.0028710700000000, -0.0000097100000000, 0.0053683000000000 ] - [ -0.0031031100000000, -0.0000172800000000, -0.0054590900000000 ] - [ -0.0002445500000000, -0.0082921300000000, 0.0068257100000000 ] - [ -0.0031031100000000, 0.0000172800000000, -0.0054590900000000 ] - [ -0.0002445500000000, 0.0082921300000000, 0.0068257100000000 ] - [ -0.0031916500000000, 0.0000000000000000, -0.0054052900000000 ] - [ -0.0023635100000000, 0.0000000000000000, -0.0041475100000000 ] - [ 0.0011142000000000, 0.0000000000000000, -0.0008239300000000 ] - [ 0.0022147500000000, 0.0000000000000000, -0.0011407000000000 ] - [ 0.0010174200000000, -0.0000238800000000, -0.0009256000000000 ] - [ 0.0015326200000000, 0.0002843800000000, -0.0002699000000000 ] - [ 0.0010174200000000, 0.0000238800000000, -0.0009256000000000 ] - [ 0.0015326200000000, -0.0002843800000000, -0.0002699000000000 ] - [ 0.0003790500000000, -0.0005415100000000, 0.0029264600000000 ] - [ -0.0013302000000000, -0.0000099800000000, 0.0011097000000000 ] - [ 0.0003790500000000, 0.0005415100000000, 0.0029264600000000 ] - [ -0.0013302000000000, 0.0000099800000000, 0.0011097000000000 ] - [ -0.0004951600000000, 0.0000000000000000, 0.0014866600000000 ] - [ -0.0013910900000000, 0.0000000000000000, 0.0011013900000000 ] - [ 0.0015056000000000, 0.0000000000000000, 0.0000196300000000 ] - [ 0.0010299000000000, 0.0000000000000000, 0.0007632900000000 ] - [ 0.0013803500000000, -0.0010363500000000, -0.0004175400000000 ] - [ 0.0011038100000000, 0.0000018300000000, 0.0008459300000000 ] - [ 0.0013803500000000, 0.0010363500000000, -0.0004175400000000 ] - [ 0.0011038100000000, -0.0000018300000000, 0.0008459300000000 ] - [ -0.0013434200000000, 0.0000839000000000, -0.0010933500000000 ] - [ -0.0021801100000000, 0.0005873800000000, -0.0018315300000000 ] - [ -0.0013434200000000, -0.0000839000000000, -0.0010933500000000 ] - [ -0.0021801100000000, -0.0005873800000000, -0.0018315300000000 ] - [ -0.0013877400000000, 0.0000000000000000, -0.0011551200000000 ] - [ -0.0025538700000000, 0.0000000000000000, -0.0020489300000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001580900000000, 0.0000198600000000, 0.0001922700000000 ] - [ -0.0000816000000000, -0.0001979000000000, 0.0002654000000000 ] - [ 0.0001580900000000, -0.0000198600000000, 0.0001922700000000 ] - [ -0.0000816000000000, 0.0001979000000000, 0.0002654000000000 ] - [ 0.0001434700000000, 0.0000000000000000, 0.0001554300000000 ] - [ 0.0000881900000000, 0.0000000000000000, 0.0002027900000000 ] - [ 0.0121167500000000, 0.0000000000000000, -0.0096885300000000 ] - [ -0.0001350400000000, 0.0000000000000000, -0.0001757900000000 ] - [ -0.0000323400000000, -0.0000014900000000, -0.0004350800000000 ] - [ -0.0001200900000000, -0.0000015400000000, -0.0001560500000000 ] - [ -0.0000323400000000, 0.0000014900000000, -0.0004350800000000 ] - [ -0.0001200900000000, 0.0000015400000000, -0.0001560500000000 ] - [ 0.0000659600000000, -0.0000489400000000, 0.0000601500000000 ] - [ 0.0001858700000000, -0.0000029700000000, -0.0001170900000000 ] - [ 0.0000659600000000, 0.0000489400000000, 0.0000601500000000 ] - [ 0.0001858700000000, 0.0000029700000000, -0.0001170900000000 ] - [ 0.0000658000000000, 0.0000000000000000, 0.0003816600000000 ] - [ 0.0001955300000000, 0.0000000000000000, -0.0000870500000000 ] - [ -0.0001433600000000, 0.0000000000000000, 0.0001220400000000 ] - [ -0.0008156000000000, 0.0000000000000000, -0.0004489100000000 ] - [ -0.0001284600000000, -0.0000466700000000, 0.0001264400000000 ] - [ -0.0000935200000000, -0.0000863400000000, 0.0001263800000000 ] - [ -0.0001284600000000, 0.0000466700000000, 0.0001264400000000 ] - [ -0.0000935200000000, 0.0000863400000000, 0.0001263800000000 ] - [ -0.0024674800000000, 0.0000000000000000, 0.0676111200000000 ] - [ 0.0013556200000000, 0.0000000000000000, 0.0092193400000000 ] - [ 0.0021807000000000, -0.0001012100000000, 0.0105823800000000 ] - [ 0.0013312300000000, -0.0000021200000000, 0.0092192300000000 ] - [ 0.0021807000000000, 0.0001012100000000, 0.0105823800000000 ] - [ 0.0013312300000000, 0.0000021200000000, 0.0092192300000000 ] - [ -0.0015709900000000, -0.0000002500000000, -0.0092198800000000 ] - [ -0.0001467800000000, -0.0016770700000000, -0.0119109200000000 ] - [ -0.0015709900000000, 0.0000002500000000, -0.0092198800000000 ] - [ -0.0001467800000000, 0.0016770700000000, -0.0119109200000000 ] - [ -0.0015496100000000, 0.0000000000000000, -0.0092122600000000 ] - [ -0.0011123700000000, 0.0000000000000000, -0.0091200300000000 ] - [ 0.0015794900000000, 0.0000000000000000, -0.0092297700000000 ] - [ 0.0011964400000000, 0.0000000000000000, -0.0092281800000000 ] - [ 0.0015037900000000, -0.0003027400000000, -0.0090551900000000 ] - [ 0.0011415100000000, -0.0000157000000000, -0.0090561400000000 ] - [ 0.0015037900000000, 0.0003027400000000, -0.0090551900000000 ] - [ 0.0011415100000000, 0.0000157000000000, -0.0090561400000000 ] - [ -0.0014858200000000, 0.0000269900000000, 0.0089100200000000 ] - [ -0.0015376400000000, -0.0000152700000000, 0.0089038600000000 ] - [ -0.0014858200000000, -0.0000269900000000, 0.0089100200000000 ] - [ -0.0015376400000000, 0.0000152700000000, 0.0089038600000000 ] - [ -0.0016590900000000, 0.0000000000000000, 0.0080762500000000 ] - [ -0.0015527500000000, 0.0000000000000000, 0.0088505900000000 ] - [ -0.0030703700000000, 0.0000386300000000, -0.0002481200000000 ] - [ -0.0031620500000000, 0.0000008900000000, 0.0001643700000000 ] - [ -0.0030703700000000, -0.0000386300000000, -0.0002481200000000 ] - [ -0.0031620500000000, -0.0000008900000000, 0.0001643700000000 ] - [ -0.0030330600000000, 0.0000000000000000, -0.0006083000000000 ] - [ -0.0031481500000000, 0.0000000000000000, 0.0001684400000000 ] - [ 0.0029940500000000, 0.0000000000000000, -0.0003391500000000 ] - [ 0.0002609200000000, 0.0000000000000000, -0.0042622300000000 ] - [ 0.0030231700000000, -0.0000398200000000, -0.0003276800000000 ] - [ 0.0014677700000000, -0.0029302500000000, -0.0026175200000000 ] - [ 0.0030231700000000, 0.0000398200000000, -0.0003276800000000 ] - [ 0.0014677700000000, 0.0029302500000000, -0.0026175200000000 ] - [ -0.0032324600000000, -0.0000133100000000, -0.0002565000000000 ] - [ -0.0024834100000000, -0.0008316100000000, -0.0011699400000000 ] - [ -0.0032324600000000, 0.0000133100000000, -0.0002565000000000 ] - [ -0.0024834100000000, 0.0008316100000000, -0.0011699400000000 ] - [ -0.0031941600000000, 0.0000000000000000, -0.0002236700000000 ] - [ -0.0031040700000000, 0.0000000000000000, -0.0002705000000000 ] - [ 0.0039758600000000, 0.0000000000000000, 0.0011408800000000 ] - [ 0.0028811600000000, 0.0000000000000000, 0.0004661400000000 ] - [ 0.0020888000000000, 0.0012079800000000, 0.0020211100000000 ] - [ 0.0028717400000000, -0.0000492800000000, 0.0004107900000000 ] - [ 0.0020888000000000, -0.0012079800000000, 0.0020211100000000 ] - [ 0.0028717400000000, 0.0000492800000000, 0.0004107900000000 ] - [ -0.0025164900000000, 0.0000000000000000, -0.0021076000000000 ] - [ -0.0023748700000000, 0.0000000000000000, -0.0015489000000000 ] - [ -0.0024532200000000, 0.0014601200000000, -0.0034928500000000 ] - [ -0.0023608100000000, 0.0000437000000000, -0.0015914100000000 ] - [ -0.0024532200000000, -0.0014601200000000, -0.0034928500000000 ] - [ -0.0023608100000000, -0.0000437000000000, -0.0015914100000000 ] - [ 0.0024648600000000, 0.0000439800000000, 0.0015933300000000 ] - [ 0.0010067100000000, 0.0003131800000000, 0.0022560900000000 ] - [ 0.0024648600000000, -0.0000439800000000, 0.0015933300000000 ] - [ 0.0010067100000000, -0.0003131800000000, 0.0022560900000000 ] - [ 0.0021360000000000, 0.0000000000000000, 0.0016332800000000 ] - [ 0.0024844900000000, 0.0000000000000000, 0.0019126700000000 ] - [ -0.0025533200000000, 0.0000000000000000, 0.0014624500000000 ] - [ -0.0022720600000000, 0.0000000000000000, 0.0009531300000000 ] - [ -0.0025207300000000, 0.0000313000000000, 0.0014011000000000 ] - [ -0.0021278400000000, 0.0003062500000000, 0.0007923600000000 ] - [ -0.0025207300000000, -0.0000313000000000, 0.0014011000000000 ] - [ -0.0021278400000000, -0.0003062500000000, 0.0007923600000000 ] - [ 0.0054971900000000, 0.0034766000000000, -0.0053020800000000 ] - [ 0.0021823400000000, -0.0000242800000000, -0.0015621300000000 ] - [ 0.0054971900000000, -0.0034766000000000, -0.0053020800000000 ] - [ 0.0021823400000000, 0.0000242800000000, -0.0015621300000000 ] - [ 0.0026804900000000, 0.0000000000000000, -0.0012675000000000 ] - [ 0.0022524900000000, 0.0000000000000000, -0.0015131800000000 ] - [ 0.0035636300000000, 0.0000000000000000, -0.0052316100000000 ] - [ 0.0027499500000000, 0.0000000000000000, -0.0049980200000000 ] - [ 0.0038780300000000, 0.0000173300000000, -0.0051019600000000 ] - [ 0.0029418800000000, -0.0002860000000000, -0.0050890500000000 ] - [ 0.0038780300000000, -0.0000173300000000, -0.0051019600000000 ] - [ 0.0029418800000000, 0.0002860000000000, -0.0050890500000000 ] - [ -0.0038464700000000, -0.0006735600000000, 0.0044424600000000 ] - [ -0.0024593400000000, -0.0000038600000000, 0.0053411200000000 ] - [ -0.0038464700000000, 0.0006735600000000, 0.0044424600000000 ] - [ -0.0024593400000000, 0.0000038600000000, 0.0053411200000000 ] - [ -0.0030069600000000, 0.0000000000000000, 0.0043522500000000 ] - [ -0.0028275300000000, 0.0000000000000000, 0.0052100000000000 ] - [ 0.0027803800000000, 0.0000000000000000, 0.0061685800000000 ] - [ 0.0031062000000000, 0.0000000000000000, 0.0054996800000000 ] - [ 0.0024883900000000, -0.0001521500000000, 0.0057475100000000 ] - [ 0.0030993600000000, -0.0000112500000000, 0.0054947500000000 ] - [ 0.0024883900000000, 0.0001521500000000, 0.0057475100000000 ] - [ 0.0030993600000000, 0.0000112500000000, 0.0054947500000000 ] - [ -0.0028558400000000, 0.0000195700000000, -0.0054024200000000 ] - [ -0.0055661700000000, 0.0078412400000000, -0.0173555300000000 ] - [ -0.0028558400000000, -0.0000195700000000, -0.0054024200000000 ] - [ -0.0055661700000000, -0.0078412400000000, -0.0173555300000000 ] - [ -0.0027701800000000, 0.0000000000000000, -0.0054566600000000 ] - [ -0.0036080000000000, 0.0000000000000000, -0.0067107700000000 ] - [ 0.0013981600000000, 0.0000000000000000, -0.0011354300000000 ] - [ 0.0003578600000000, 0.0000000000000000, -0.0008469300000000 ] - [ 0.0014994900000000, 0.0000254500000000, -0.0010349100000000 ] - [ 0.0009859200000000, -0.0002835600000000, -0.0016984100000000 ] - [ 0.0014994900000000, -0.0000254500000000, -0.0010349100000000 ] - [ 0.0009859200000000, 0.0002835600000000, -0.0016984100000000 ] - [ -0.0029603900000000, 0.0004748900000000, -0.0010045100000000 ] - [ -0.0011882400000000, 0.0000115100000000, 0.0008417200000000 ] - [ -0.0029603900000000, -0.0004748900000000, -0.0010045100000000 ] - [ -0.0011882400000000, -0.0000115100000000, 0.0008417200000000 ] - [ -0.0020231600000000, 0.0000000000000000, 0.0004666100000000 ] - [ -0.0011256800000000, 0.0000000000000000, 0.0008515200000000 ] - [ 0.0010132800000000, 0.0000000000000000, 0.0019421100000000 ] - [ 0.0014855400000000, 0.0000000000000000, 0.0011987400000000 ] - [ 0.0011375600000000, 0.0010369700000000, 0.0023782000000000 ] - [ 0.0014125700000000, -0.0000030500000000, 0.0011170700000000 ] - [ 0.0011375600000000, -0.0010369700000000, 0.0023782000000000 ] - [ 0.0014125700000000, 0.0000030500000000, 0.0011170700000000 ] - [ -0.0011729900000000, -0.0000833400000000, -0.0008690800000000 ] - [ -0.0003423000000000, -0.0005800300000000, -0.0001262800000000 ] - [ -0.0011729900000000, 0.0000833400000000, -0.0008690800000000 ] - [ -0.0003423000000000, 0.0005800300000000, -0.0001262800000000 ] - [ -0.0011273100000000, 0.0000000000000000, -0.0008055300000000 ] - [ 0.0000325500000000, 0.0000000000000000, 0.0000960000000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001531400000000, 0.0000000000000000, 0.0002053500000000 ] - [ 0.0008076000000000, 0.0000000000000000, 0.0003879900000000 ] - [ 0.0001332700000000, -0.0000323100000000, 0.0001904300000000 ] - [ 0.0002865300000000, -0.0001469000000000, -0.0001689300000000 ] - [ 0.0001332700000000, 0.0000323100000000, 0.0001904300000000 ] - [ 0.0002865300000000, 0.0001469000000000, -0.0001689300000000 ] - [ -0.0000595900000000, 0.0000425100000000, -0.0002808900000000 ] - [ -0.0001337600000000, 0.0000045600000000, -0.0001213900000000 ] - [ -0.0000413700000000, 0.0000000000000000, -0.0002514400000000 ] - [ -0.0001375100000000, 0.0000000000000000, -0.0001309400000000 ] - [ -0.0000595900000000, -0.0000425100000000, -0.0002808900000000 ] - [ -0.0001337600000000, -0.0000045600000000, -0.0001213900000000 ] - [ 0.0185962000000000, 0.0000000000000000, -0.0178682000000000 ] - [ 0.0000960000000000, 0.0000000000000000, -0.0001657400000000 ] - [ 0.0000869800000000, 0.0002916200000000, -0.0001824400000000 ] - [ 0.0000938400000000, 0.0000087300000000, -0.0001717900000000 ] - [ 0.0000869800000000, -0.0002916200000000, -0.0001824400000000 ] - [ 0.0000938400000000, -0.0000087300000000, -0.0001717900000000 ] - [ -0.0003530700000000, 0.0000012400000000, -0.0000196900000000 ] - [ -0.0002416100000000, 0.0001251900000000, 0.0001142400000000 ] - [ -0.0000977000000000, 0.0000000000000000, 0.0001803300000000 ] - [ -0.0001162700000000, 0.0000000000000000, 0.0000642500000000 ] - [ -0.0003530700000000, -0.0000012400000000, -0.0000196900000000 ] - [ -0.0002416100000000, -0.0001251900000000, 0.0001142400000000 ] - [ 0.0008278400000000, 0.0000920400000000, 0.0092147000000000 ] - [ 0.0017660500000000, -0.0000038500000000, 0.0093069400000000 ] - [ 0.0004697800000000, 0.0000000000000000, 0.0091740400000000 ] - [ 0.0017819000000000, 0.0000000000000000, 0.0092935100000000 ] - [ 0.0008278400000000, -0.0000920400000000, 0.0092147000000000 ] - [ 0.0017660500000000, 0.0000038500000000, 0.0093069400000000 ] - [ -0.0011554200000000, 0.0000000000000000, -0.0091361800000000 ] - [ -0.0004608700000000, 0.0000000000000000, -0.0063866300000000 ] - [ -0.0010552200000000, -0.0000221000000000, -0.0091679000000000 ] - [ -0.0006966600000000, 0.0016879200000000, -0.0076189400000000 ] - [ -0.0010552200000000, 0.0000221000000000, -0.0091679000000000 ] - [ -0.0006966600000000, -0.0016879200000000, -0.0076189400000000 ] - [ 0.0021717300000000, -0.0000531800000000, -0.0086345700000000 ] - [ 0.0016753100000000, 0.0000579500000000, -0.0093772900000000 ] - [ 0.0013857300000000, 0.0000000000000000, -0.0092474900000000 ] - [ 0.0016746700000000, 0.0000000000000000, -0.0093381500000000 ] - [ 0.0021717300000000, 0.0000531800000000, -0.0086345700000000 ] - [ 0.0016753100000000, -0.0000579500000000, -0.0093772900000000 ] - [ 0.0053227300000000, 0.0000000000000000, 0.0101029400000000 ] - [ -0.0010344600000000, 0.0000000000000000, 0.0090284600000000 ] - [ -0.0010179300000000, -0.0009931500000000, 0.0082412300000000 ] - [ -0.0010392400000000, 0.0001158400000000, 0.0090202500000000 ] - [ -0.0010179300000000, 0.0009931500000000, 0.0082412300000000 ] - [ -0.0010392400000000, -0.0001158400000000, 0.0090202500000000 ] - [ -0.0536121100000000, 0.0000000000000000, 0.0045727000000000 ] - [ -0.0027469700000000, 0.0000000000000000, 0.0004207900000000 ] - [ -0.0041559600000000, 0.0008109500000000, -0.0004438200000000 ] - [ -0.0027376800000000, -0.0000080600000000, 0.0004253300000000 ] - [ -0.0041559600000000, -0.0008109500000000, -0.0004438200000000 ] - [ -0.0027376800000000, 0.0000080600000000, 0.0004253300000000 ] - [ 0.0035234100000000, -0.0002493000000000, 0.0000352300000000 ] - [ 0.0033325000000000, 0.0006434300000000, -0.0014158900000000 ] - [ 0.0031894400000000, 0.0000000000000000, -0.0001662800000000 ] - [ 0.0027917700000000, 0.0000000000000000, -0.0004688500000000 ] - [ 0.0035234100000000, 0.0002493000000000, 0.0000352300000000 ] - [ 0.0033325000000000, -0.0006434300000000, -0.0014158900000000 ] - [ -0.0029614200000000, 0.0000000000000000, -0.0004357600000000 ] - [ -0.0029692800000000, 0.0000000000000000, -0.0001320100000000 ] - [ -0.0027400400000000, -0.0000797400000000, -0.0005324800000000 ] - [ -0.0027405000000000, 0.0001630000000000, -0.0002208300000000 ] - [ -0.0027400400000000, 0.0000797400000000, -0.0005324800000000 ] - [ -0.0027405000000000, -0.0001630000000000, -0.0002208300000000 ] - [ 0.0029087300000000, -0.0000604900000000, 0.0004114700000000 ] - [ 0.0033098100000000, 0.0000033400000000, 0.0001381500000000 ] - [ 0.0032193200000000, 0.0000000000000000, 0.0003970100000000 ] - [ 0.0033307900000000, 0.0000000000000000, 0.0001455000000000 ] - [ 0.0029087300000000, 0.0000604900000000, 0.0004114700000000 ] - [ 0.0033098100000000, -0.0000033400000000, 0.0001381500000000 ] - [ -0.0020131400000000, -0.0025198900000000, -0.0050213100000000 ] - [ -0.0018123700000000, 0.0000048400000000, -0.0014463100000000 ] - [ -0.0029231900000000, 0.0000000000000000, -0.0013575300000000 ] - [ -0.0020185900000000, 0.0000000000000000, -0.0014895100000000 ] - [ -0.0020131400000000, 0.0025198900000000, -0.0050213100000000 ] - [ -0.0018123700000000, -0.0000048400000000, -0.0014463100000000 ] - [ 0.0026456300000000, 0.0000000000000000, 0.0016618100000000 ] - [ 0.0024478500000000, 0.0000000000000000, 0.0017248400000000 ] - [ 0.0025917500000000, -0.0000323200000000, 0.0016167400000000 ] - [ 0.0023091800000000, 0.0001191600000000, 0.0016798700000000 ] - [ 0.0025917500000000, 0.0000323200000000, 0.0016167400000000 ] - [ 0.0023091800000000, -0.0001191600000000, 0.0016798700000000 ] - [ -0.0017555400000000, -0.0001982500000000, 0.0013657000000000 ] - [ 0.0001418500000000, 0.0012140700000000, 0.0022025400000000 ] - [ -0.0020898700000000, 0.0000000000000000, 0.0014708800000000 ] - [ -0.0024325900000000, 0.0000000000000000, 0.0015312100000000 ] - [ -0.0017555400000000, 0.0001982500000000, 0.0013657000000000 ] - [ 0.0001418500000000, -0.0012140700000000, 0.0022025400000000 ] - [ 0.0024015600000000, 0.0000000000000000, -0.0004525800000000 ] - [ 0.0027277700000000, 0.0000000000000000, -0.0016066900000000 ] - [ 0.0018156000000000, -0.0006641100000000, -0.0005598000000000 ] - [ 0.0027109100000000, -0.0000124100000000, -0.0016104900000000 ] - [ 0.0018156000000000, 0.0006641100000000, -0.0005598000000000 ] - [ 0.0027109100000000, 0.0000124100000000, -0.0016104900000000 ] - [ 0.0027428900000000, 0.0007529000000000, -0.0048095600000000 ] - [ 0.0018246500000000, 0.0001199200000000, -0.0055088900000000 ] - [ 0.0032501400000000, 0.0000000000000000, -0.0049694000000000 ] - [ 0.0025193600000000, 0.0000000000000000, -0.0052109000000000 ] - [ 0.0027428900000000, -0.0007529000000000, -0.0048095600000000 ] - [ 0.0018246500000000, -0.0001199200000000, -0.0055088900000000 ] - [ -0.0028780000000000, 0.0000000000000000, 0.0051509800000000 ] - [ -0.0034291900000000, 0.0000000000000000, 0.0055870200000000 ] - [ -0.0031765700000000, 0.0001886000000000, 0.0052256600000000 ] - [ -0.0033524600000000, -0.0000337000000000, 0.0055391200000000 ] - [ -0.0031765700000000, -0.0001886000000000, 0.0052256600000000 ] - [ -0.0033524600000000, 0.0000337000000000, 0.0055391200000000 ] - [ 0.0059445900000000, 0.0013870000000000, 0.0079218700000000 ] - [ 0.0022969400000000, -0.0000410400000000, 0.0053674300000000 ] - [ 0.0036609300000000, 0.0000000000000000, 0.0057438400000000 ] - [ 0.0024563000000000, 0.0000000000000000, 0.0052835000000000 ] - [ 0.0059445900000000, -0.0013870000000000, 0.0079218700000000 ] - [ 0.0022969400000000, 0.0000410400000000, 0.0053674300000000 ] - [ -0.0035095000000000, 0.0000000000000000, -0.0056422900000000 ] - [ -0.0019591000000000, 0.0000000000000000, -0.0050940000000000 ] - [ -0.0034502300000000, 0.0001723600000000, -0.0055928300000000 ] - [ -0.0018687700000000, -0.0004291300000000, -0.0049891800000000 ] - [ -0.0034502300000000, -0.0001723600000000, -0.0055928300000000 ] - [ -0.0018687700000000, 0.0004291300000000, -0.0049891800000000 ] - [ 0.0009487500000000, -0.0000425000000000, -0.0009196600000000 ] - [ 0.0010452600000000, -0.0004103500000000, -0.0015892500000000 ] - [ 0.0008910800000000, 0.0000000000000000, -0.0008865200000000 ] - [ 0.0009318500000000, 0.0000000000000000, -0.0016729800000000 ] - [ 0.0009487500000000, 0.0000425000000000, -0.0009196600000000 ] - [ 0.0010452600000000, 0.0004103500000000, -0.0015892500000000 ] - [ -0.0002845700000000, 0.0000000000000000, 0.0009112500000000 ] - [ -0.0016845300000000, 0.0000000000000000, 0.0009160700000000 ] - [ -0.0002821800000000, 0.0004385900000000, 0.0010419400000000 ] - [ -0.0017339900000000, -0.0000235100000000, 0.0009548300000000 ] - [ -0.0002821800000000, -0.0004385900000000, 0.0010419400000000 ] - [ -0.0017339900000000, 0.0000235100000000, 0.0009548300000000 ] - [ 0.0060487500000000, -0.0028794000000000, 0.0044717200000000 ] - [ 0.0007907200000000, -0.0000272700000000, 0.0010573800000000 ] - [ 0.0023218300000000, 0.0000000000000000, 0.0013994700000000 ] - [ 0.0008408200000000, 0.0000000000000000, 0.0010895000000000 ] - [ 0.0060487500000000, 0.0028794000000000, 0.0044717200000000 ] - [ 0.0007907200000000, 0.0000272700000000, 0.0010573800000000 ] - [ -0.0026787300000000, 0.0000000000000000, -0.0018479800000000 ] - [ -0.0027462100000000, 0.0000000000000000, 0.0004499400000000 ] - [ -0.0014397000000000, 0.0002270300000000, -0.0009762500000000 ] - [ -0.0014449800000000, -0.0004715600000000, -0.0006299400000000 ] - [ -0.0014397000000000, -0.0002270300000000, -0.0009762500000000 ] - [ -0.0014449800000000, 0.0004715600000000, -0.0006299400000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000684100000000, 0.0000000000000000, 0.0000751500000000 ] - [ -0.0005804600000000, 0.0000000000000000, -0.0001096900000000 ] - [ 0.0000945000000000, 0.0000306200000000, 0.0000968200000000 ] - [ -0.0000605700000000, 0.0001446900000000, 0.0004455000000000 ] - [ 0.0000945000000000, -0.0000306200000000, 0.0000968200000000 ] - [ -0.0000605700000000, -0.0001446900000000, 0.0004455000000000 ] - [ -0.0001641400000000, -0.0000403900000000, -0.0000027800000000 ] - [ -0.0000915700000000, -0.0000039400000000, -0.0001634700000000 ] - [ -0.0001849200000000, 0.0000000000000000, -0.0000335500000000 ] - [ -0.0000849200000000, 0.0000000000000000, -0.0001495300000000 ] - [ -0.0001641400000000, 0.0000403900000000, -0.0000027800000000 ] - [ -0.0000915700000000, 0.0000039400000000, -0.0001634700000000 ] - [ -0.0191677200000000, 0.0000000000000000, 0.0184680200000000 ] - [ 0.0001257600000000, 0.0000000000000000, -0.0001232100000000 ] - [ 0.0001363300000000, -0.0002885400000000, -0.0001050300000000 ] - [ 0.0001323600000000, -0.0000094300000000, -0.0001142200000000 ] - [ 0.0001363300000000, 0.0002885400000000, -0.0001050300000000 ] - [ 0.0001323600000000, 0.0000094300000000, -0.0001142200000000 ] - [ 0.0001305400000000, -0.0000004900000000, 0.0003064200000000 ] - [ 0.0000196600000000, -0.0001241900000000, 0.0001640400000000 ] - [ -0.0001220500000000, 0.0000000000000000, 0.0001045700000000 ] - [ -0.0001075700000000, 0.0000000000000000, 0.0002182100000000 ] - [ 0.0001305400000000, 0.0000004900000000, 0.0003064200000000 ] - [ 0.0000196600000000, 0.0001241900000000, 0.0001640400000000 ] - [ 0.0020857800000000, -0.0000916300000000, 0.0091523400000000 ] - [ 0.0011473100000000, 0.0000039700000000, 0.0090647600000000 ] - [ 0.0024441900000000, 0.0000000000000000, 0.0091921700000000 ] - [ 0.0011327800000000, 0.0000000000000000, 0.0090773900000000 ] - [ 0.0020857800000000, 0.0000916300000000, 0.0091523400000000 ] - [ 0.0011473100000000, -0.0000039700000000, 0.0090647600000000 ] - [ -0.0017581000000000, 0.0000000000000000, -0.0092350900000000 ] - [ -0.0024656100000000, 0.0000000000000000, -0.0119817100000000 ] - [ -0.0018553400000000, 0.0000226300000000, -0.0092043800000000 ] - [ -0.0022231100000000, -0.0017014900000000, -0.0107670100000000 ] - [ -0.0018553400000000, -0.0000226300000000, -0.0092043800000000 ] - [ -0.0022231100000000, 0.0017014900000000, -0.0107670100000000 ] - [ 0.0007346900000000, 0.0000535400000000, -0.0097450300000000 ] - [ 0.0012386100000000, -0.0000554600000000, -0.0089973800000000 ] - [ 0.0015267300000000, 0.0000000000000000, -0.0091253700000000 ] - [ 0.0012374400000000, 0.0000000000000000, -0.0090334800000000 ] - [ 0.0007346900000000, -0.0000535400000000, -0.0097450300000000 ] - [ 0.0012386100000000, 0.0000554600000000, -0.0089973800000000 ] - [ -0.0083483500000000, 0.0000000000000000, 0.0082626100000000 ] - [ -0.0018796900000000, 0.0000000000000000, 0.0093435300000000 ] - [ -0.0018985900000000, 0.0009973500000000, 0.0101420800000000 ] - [ -0.0018738600000000, -0.0001144700000000, 0.0093507700000000 ] - [ -0.0018985900000000, -0.0009973500000000, 0.0101420800000000 ] - [ -0.0018738600000000, 0.0001144700000000, 0.0093507700000000 ] - [ 0.0486086900000000, 0.0000000000000000, -0.0046939000000000 ] - [ -0.0033482600000000, 0.0000000000000000, 0.0000889400000000 ] - [ -0.0019387700000000, -0.0008236500000000, 0.0009557700000000 ] - [ -0.0033582200000000, 0.0000087400000000, 0.0000839000000000 ] - [ -0.0019387700000000, 0.0008236500000000, 0.0009557700000000 ] - [ -0.0033582200000000, -0.0000087400000000, 0.0000839000000000 ] - [ 0.0025745300000000, 0.0002515800000000, -0.0005478200000000 ] - [ 0.0027693800000000, -0.0006358900000000, 0.0008948000000000 ] - [ 0.0029095400000000, 0.0000000000000000, -0.0003448800000000 ] - [ 0.0033062600000000, 0.0000000000000000, -0.0000421900000000 ] - [ 0.0025745300000000, -0.0002515800000000, -0.0005478200000000 ] - [ 0.0027693800000000, 0.0006358900000000, 0.0008948000000000 ] - [ -0.0031263900000000, 0.0000000000000000, -0.0000776200000000 ] - [ -0.0031305300000000, 0.0000000000000000, -0.0003749300000000 ] - [ -0.0033554900000000, 0.0000760200000000, 0.0000208300000000 ] - [ -0.0033580500000000, -0.0001618000000000, -0.0002866600000000 ] - [ -0.0033554900000000, -0.0000760200000000, 0.0000208300000000 ] - [ -0.0033580500000000, 0.0001618000000000, -0.0002866600000000 ] - [ 0.0031870000000000, 0.0000600300000000, 0.0000930700000000 ] - [ 0.0027881800000000, -0.0000036300000000, 0.0003713800000000 ] - [ 0.0028783600000000, 0.0000000000000000, 0.0001084000000000 ] - [ 0.0027668100000000, 0.0000000000000000, 0.0003631300000000 ] - [ 0.0031870000000000, -0.0000600300000000, 0.0000930700000000 ] - [ 0.0027881800000000, 0.0000036300000000, 0.0003713800000000 ] - [ -0.0027563700000000, 0.0025189200000000, 0.0019825300000000 ] - [ -0.0029608700000000, -0.0000035100000000, -0.0015953300000000 ] - [ -0.0018504400000000, 0.0000000000000000, -0.0016875600000000 ] - [ -0.0027562100000000, 0.0000000000000000, -0.0015529300000000 ] - [ -0.0027563700000000, -0.0025189200000000, 0.0019825300000000 ] - [ -0.0029608700000000, 0.0000035100000000, -0.0015953300000000 ] - [ 0.0021279600000000, 0.0000000000000000, 0.0013825400000000 ] - [ 0.0023256400000000, 0.0000000000000000, 0.0013177800000000 ] - [ 0.0021825900000000, 0.0000309900000000, 0.0014271100000000 ] - [ 0.0024655300000000, -0.0001158100000000, 0.0013601900000000 ] - [ 0.0021825900000000, -0.0000309900000000, 0.0014271100000000 ] - [ 0.0024655300000000, 0.0001158100000000, 0.0013601900000000 ] - [ -0.0030191200000000, 0.0002050000000000, 0.0016802900000000 ] - [ -0.0048874900000000, -0.0011853700000000, 0.0008579700000000 ] - [ -0.0026846800000000, 0.0000000000000000, 0.0015749000000000 ] - [ -0.0023455500000000, 0.0000000000000000, 0.0015150300000000 ] - [ -0.0030191200000000, -0.0002050000000000, 0.0016802900000000 ] - [ -0.0048874900000000, 0.0011853700000000, 0.0008579700000000 ] - [ 0.0023755600000000, 0.0000000000000000, -0.0025900900000000 ] - [ 0.0020470200000000, 0.0000000000000000, -0.0014371700000000 ] - [ 0.0029603200000000, 0.0006752500000000, -0.0024934200000000 ] - [ 0.0020637100000000, 0.0000112900000000, -0.0014328300000000 ] - [ 0.0029603200000000, -0.0006752500000000, -0.0024934200000000 ] - [ 0.0020637100000000, -0.0000112900000000, -0.0014328300000000 ] - [ 0.0031937100000000, -0.0007357000000000, -0.0060525300000000 ] - [ 0.0041415200000000, -0.0001149700000000, -0.0053518800000000 ] - [ 0.0027126000000000, 0.0000000000000000, -0.0058936300000000 ] - [ 0.0034503300000000, 0.0000000000000000, -0.0056490100000000 ] - [ 0.0031937100000000, 0.0007357000000000, -0.0060525300000000 ] - [ 0.0041415200000000, 0.0001149700000000, -0.0053518800000000 ] - [ -0.0031022500000000, 0.0000000000000000, 0.0057104300000000 ] - [ -0.0025381700000000, 0.0000000000000000, 0.0052763000000000 ] - [ -0.0027930600000000, -0.0001898900000000, 0.0056354300000000 ] - [ -0.0026180400000000, 0.0000328300000000, 0.0053201000000000 ] - [ -0.0027930600000000, 0.0001898900000000, 0.0056354300000000 ] - [ -0.0026180400000000, -0.0000328300000000, 0.0053201000000000 ] - [ 0.0000207700000000, -0.0013795900000000, 0.0029255800000000 ] - [ 0.0036729300000000, 0.0000490000000000, 0.0054910700000000 ] - [ 0.0023187300000000, 0.0000000000000000, 0.0051156100000000 ] - [ 0.0035129000000000, 0.0000000000000000, 0.0055767500000000 ] - [ 0.0000207700000000, 0.0013795900000000, 0.0029255800000000 ] - [ 0.0036729300000000, -0.0000490000000000, 0.0054910700000000 ] - [ -0.0024565300000000, 0.0000000000000000, -0.0052158800000000 ] - [ -0.0040062300000000, 0.0000000000000000, -0.0057571600000000 ] - [ -0.0025163200000000, -0.0001753500000000, -0.0052650100000000 ] - [ -0.0041020300000000, 0.0004313000000000, -0.0058639200000000 ] - [ -0.0025163200000000, 0.0001753500000000, -0.0052650100000000 ] - [ -0.0041020300000000, -0.0004313000000000, -0.0058639200000000 ] - [ 0.0015735100000000, 0.0000440500000000, -0.0010170500000000 ] - [ 0.0014853300000000, 0.0004112000000000, -0.0003482300000000 ] - [ 0.0016345200000000, 0.0000000000000000, -0.0010539500000000 ] - [ 0.0016027300000000, 0.0000000000000000, -0.0002634100000000 ] - [ 0.0015735100000000, -0.0000440500000000, -0.0010170500000000 ] - [ 0.0014853300000000, -0.0004112000000000, -0.0003482300000000 ] - [ -0.0022387200000000, 0.0000000000000000, 0.0010489900000000 ] - [ -0.0008432300000000, 0.0000000000000000, 0.0010244300000000 ] - [ -0.0022435500000000, -0.0004338700000000, 0.0009134400000000 ] - [ -0.0007931700000000, 0.0000227400000000, 0.0009850900000000 ] - [ -0.0022435500000000, 0.0004338700000000, 0.0009134400000000 ] - [ -0.0007931700000000, -0.0000227400000000, 0.0009850900000000 ] - [ -0.0036151500000000, 0.0030199500000000, -0.0026439800000000 ] - [ 0.0017359900000000, 0.0000259200000000, 0.0008854300000000 ] - [ 0.0001999600000000, 0.0000000000000000, 0.0005387200000000 ] - [ 0.0016855200000000, 0.0000000000000000, 0.0008538600000000 ] - [ -0.0036151500000000, -0.0030199500000000, -0.0026439800000000 ] - [ 0.0017359900000000, -0.0000259200000000, 0.0008854300000000 ] - [ 0.0001613000000000, 0.0000000000000000, -0.0000829600000000 ] - [ 0.0001992000000000, 0.0000000000000000, -0.0023865200000000 ] - [ -0.0010864800000000, -0.0002304400000000, -0.0009668800000000 ] - [ -0.0010816200000000, 0.0004675400000000, -0.0013129000000000 ] - [ -0.0010864800000000, 0.0002304400000000, -0.0009668800000000 ] - [ -0.0010816200000000, -0.0004675400000000, -0.0013129000000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001083300000000, -0.0000231500000000, 0.0001459200000000 ] - [ 0.0001086300000000, 0.0000128500000000, 0.0001422000000000 ] - [ 0.0000857300000000, 0.0000330800000000, 0.0001833400000000 ] - [ 0.0001906200000000, -0.0000170400000000, 0.0001307700000000 ] - [ 0.0001358900000000, 0.0000318000000000, 0.0000930600000000 ] - [ 0.0000309900000000, -0.0000180900000000, 0.0001565800000000 ] - [ -0.0001370500000000, 0.0001114900000000, -0.0001174100000000 ] - [ -0.0001105000000000, -0.0000204100000000, -0.0001360100000000 ] - [ -0.0001146700000000, -0.0008305600000000, -0.0001439000000000 ] - [ -0.0001079300000000, 0.0000206800000000, -0.0001341700000000 ] - [ -0.0000804600000000, 0.0001100300000000, -0.0001620600000000 ] - [ -0.0001049900000000, -0.0000219500000000, -0.0001378800000000 ] - [ 0.0001594300000000, -0.0004009900000000, -0.0001722300000000 ] - [ 0.0001080500000000, -0.0000161900000000, -0.0001462900000000 ] - [ 0.0001694600000000, -0.0002106300000000, -0.0003265100000000 ] - [ 0.0000991800000000, 0.0000079000000000, -0.0001521700000000 ] - [ 0.0000570600000000, -0.0002163400000000, 0.0000382000000000 ] - [ 0.0001243700000000, 0.0000078500000000, -0.0001244300000000 ] - [ 0.0002613100000000, -0.0000026200000000, 0.0004519100000000 ] - [ -0.0002060800000000, -0.0000473800000000, 0.0001982000000000 ] - [ -0.0001071200000000, 0.0000202400000000, 0.0001439300000000 ] - [ -0.0001100300000000, 0.0000505400000000, 0.0001353700000000 ] - [ -0.0004824400000000, -0.0000039200000000, -0.0001594500000000 ] - [ -0.0000126400000000, -0.0000482300000000, 0.0000864300000000 ] - [ 0.0013472900000000, -0.0001641000000000, 0.0091573900000000 ] - [ 0.0014471900000000, -0.0000189800000000, 0.0091944900000000 ] - [ 0.0014623200000000, 0.0006692700000000, 0.0091898500000000 ] - [ 0.0014546100000000, 0.0000589600000000, 0.0091968300000000 ] - [ 0.0015651700000000, -0.0001631200000000, 0.0092315500000000 ] - [ 0.0014613900000000, -0.0000187600000000, 0.0091962700000000 ] - [ -0.0014569300000000, -0.0000208700000000, -0.0091941600000000 ] - [ -0.0014571900000000, -0.0017665600000000, -0.0092074000000000 ] - [ -0.0014639100000000, 0.0000541400000000, -0.0091569000000000 ] - [ 0.0002988900000000, 0.0049208000000000, -0.0062570000000000 ] - [ -0.0014403300000000, 0.0000530500000000, -0.0092369900000000 ] - [ -0.0032001900000000, 0.0049047500000000, -0.0121262800000000 ] - [ 0.0003531100000000, -0.0000718100000000, -0.0100256400000000 ] - [ 0.0014013600000000, -0.0000641500000000, -0.0092147800000000 ] - [ 0.0014567500000000, 0.0001650100000000, -0.0091940800000000 ] - [ 0.0014492700000000, 0.0000774000000000, -0.0091995100000000 ] - [ 0.0025525100000000, -0.0000714200000000, -0.0083694600000000 ] - [ 0.0014947100000000, -0.0000653300000000, -0.0091844200000000 ] - [ -0.0014337300000000, -0.0011130200000000, 0.0092000200000000 ] - [ -0.0014577400000000, -0.0001726800000000, 0.0091948200000000 ] - [ -0.0025510600000000, 0.0013024600000000, 0.0104078100000000 ] - [ -0.0013364400000000, 0.0001487200000000, 0.0091474500000000 ] - [ -0.0003535100000000, 0.0013035300000000, 0.0079925700000000 ] - [ -0.0015691100000000, 0.0001484900000000, 0.0092462400000000 ] - [ -0.0031997300000000, -0.0534579000000000, -0.0001877100000000 ] - [ -0.0030515700000000, -0.0000286100000000, 0.0002683800000000 ] - [ -0.0038823300000000, 0.0057236300000000, 0.0001868100000000 ] - [ -0.0030479300000000, 0.0000243000000000, 0.0002746700000000 ] - [ -0.0022439300000000, 0.0056508600000000, 0.0003565600000000 ] - [ -0.0030647200000000, 0.0000230300000000, 0.0002695900000000 ] - [ 0.0028034300000000, -0.0000093200000000, -0.0003124100000000 ] - [ 0.0037058400000000, 0.0002228400000000, -0.0009189000000000 ] - [ 0.0030512600000000, 0.0000993200000000, -0.0002681900000000 ] - [ 0.0030627700000000, 0.0001078600000000, -0.0002739500000000 ] - [ 0.0033044600000000, -0.0000073100000000, -0.0002249500000000 ] - [ 0.0024201600000000, 0.0002232000000000, 0.0003684500000000 ] - [ -0.0030515300000000, -0.0002302600000000, -0.0002691000000000 ] - [ -0.0030560100000000, -0.0002306300000000, -0.0002725500000000 ] - [ -0.0032176000000000, 0.0002420600000000, -0.0002643000000000 ] - [ -0.0029741700000000, 0.0002408200000000, -0.0000333100000000 ] - [ -0.0028930200000000, 0.0002431800000000, -0.0002788500000000 ] - [ -0.0031349400000000, 0.0002438900000000, -0.0005083800000000 ] - [ 0.0029926400000000, -0.0002045500000000, 0.0004027300000000 ] - [ 0.0030585000000000, -0.0000390100000000, 0.0002789200000000 ] - [ 0.0030462500000000, 0.0009153200000000, 0.0002656900000000 ] - [ 0.0030549300000000, 0.0000120700000000, 0.0002709000000000 ] - [ 0.0031152100000000, -0.0002038300000000, 0.0001339000000000 ] - [ 0.0030510400000000, -0.0000399900000000, 0.0002601500000000 ] - [ -0.0042366400000000, 0.0018574200000000, 0.0019552800000000 ] - [ -0.0021853100000000, -0.0000389400000000, -0.0014535600000000 ] - [ -0.0023860600000000, 0.0002884100000000, -0.0015337700000000 ] - [ -0.0023832400000000, 0.0000292100000000, -0.0015330100000000 ] - [ -0.0005353700000000, 0.0018642200000000, -0.0050245200000000 ] - [ -0.0025822200000000, -0.0000476600000000, -0.0016052500000000 ] - [ 0.0023826700000000, -0.0002026700000000, 0.0015276300000000 ] - [ 0.0023830900000000, -0.0001680700000000, 0.0015377700000000 ] - [ 0.0022979600000000, 0.0001308400000000, 0.0013225300000000 ] - [ 0.0024072200000000, 0.0002363200000000, 0.0013018000000000 ] - [ 0.0024706700000000, 0.0001349300000000, 0.0017307800000000 ] - [ 0.0023601600000000, 0.0002394200000000, 0.0017754900000000 ] - [ -0.0024572600000000, -0.0000472900000000, 0.0015133600000000 ] - [ 0.0002094400000000, 0.0004843500000000, 0.0017347800000000 ] - [ -0.0023842700000000, 0.0001498700000000, 0.0015329000000000 ] - [ -0.0023814300000000, 0.0002163100000000, 0.0015302900000000 ] - [ -0.0023083900000000, -0.0000516600000000, 0.0015425800000000 ] - [ -0.0049704900000000, 0.0004896400000000, 0.0013275900000000 ] - [ 0.0023856000000000, -0.0004850200000000, -0.0015227200000000 ] - [ 0.0023852300000000, -0.0000313600000000, -0.0015298600000000 ] - [ 0.0026399600000000, 0.0012466300000000, -0.0028051400000000 ] - [ 0.0023405600000000, 0.0000330100000000, -0.0015366400000000 ] - [ 0.0021250700000000, 0.0012550400000000, -0.0002517600000000 ] - [ 0.0024293400000000, 0.0000328200000000, -0.0015239900000000 ] - [ 0.0036599800000000, 0.0006925200000000, -0.0052227600000000 ] - [ 0.0022705600000000, 0.0002226800000000, -0.0056834100000000 ] - [ 0.0029895100000000, -0.0010478400000000, -0.0054341000000000 ] - [ 0.0029858800000000, -0.0002227300000000, -0.0054302600000000 ] - [ 0.0023088100000000, 0.0006762800000000, -0.0056330800000000 ] - [ 0.0037029200000000, 0.0002210000000000, -0.0051767000000000 ] - [ -0.0029900900000000, 0.0006936400000000, 0.0054315400000000 ] - [ -0.0029869800000000, 0.0000432400000000, 0.0054284600000000 ] - [ -0.0026930100000000, -0.0004537500000000, 0.0059337700000000 ] - [ -0.0029451200000000, 0.0000057300000000, 0.0054314100000000 ] - [ -0.0032851000000000, -0.0004528800000000, 0.0049281900000000 ] - [ -0.0030272800000000, 0.0000088900000000, 0.0054308700000000 ] - [ 0.0059166900000000, 0.0130423700000000, 0.0170051200000000 ] - [ 0.0029688100000000, -0.0000004600000000, 0.0053965300000000 ] - [ 0.0029846900000000, -0.0042453800000000, 0.0054238400000000 ] - [ 0.0029838600000000, -0.0000226800000000, 0.0054280200000000 ] - [ 0.0002627400000000, 0.0125628200000000, -0.0055488400000000 ] - [ 0.0029976300000000, -0.0000022900000000, 0.0054618100000000 ] - [ -0.0029872300000000, 0.0002525100000000, -0.0054292400000000 ] - [ -0.0029854600000000, 0.0002258000000000, -0.0054325100000000 ] - [ -0.0028781900000000, -0.0001393300000000, -0.0053981500000000 ] - [ -0.0033692800000000, -0.0000000500000000, -0.0052616400000000 ] - [ -0.0030924100000000, -0.0001423100000000, -0.0054690600000000 ] - [ -0.0026017200000000, 0.0000025000000000, -0.0056002400000000 ] - [ 0.0012785000000000, 0.0000984800000000, -0.0009541200000000 ] - [ 0.0012141800000000, 0.0005412400000000, -0.0011827900000000 ] - [ 0.0012678700000000, -0.0002523500000000, -0.0009669600000000 ] - [ 0.0012604400000000, -0.0018173500000000, -0.0009731400000000 ] - [ 0.0012470600000000, 0.0000935800000000, -0.0009625100000000 ] - [ 0.0013126900000000, 0.0005330700000000, -0.0007556500000000 ] - [ -0.0012680100000000, 0.0010802100000000, 0.0009714200000000 ] - [ -0.0012662800000000, 0.0000577600000000, 0.0009639700000000 ] - [ -0.0012640400000000, -0.0008928000000000, 0.0001451500000000 ] - [ -0.0013057000000000, -0.0000188200000000, 0.0008971900000000 ] - [ -0.0012657800000000, -0.0008963000000000, 0.0017782100000000 ] - [ -0.0012303300000000, -0.0000179600000000, 0.0010221600000000 ] - [ 0.0001987700000000, 0.0029773400000000, -0.0003548900000000 ] - [ 0.0012924700000000, 0.0000493900000000, 0.0009433200000000 ] - [ 0.0012745300000000, -0.0020896100000000, 0.0009754600000000 ] - [ 0.0012657700000000, -0.0001213000000000, 0.0009702800000000 ] - [ 0.0022003900000000, 0.0028525700000000, 0.0021987700000000 ] - [ 0.0012390900000000, 0.0000455600000000, 0.0009900800000000 ] - [ -0.0012682800000000, 0.0004645500000000, -0.0009671400000000 ] - [ -0.0012611300000000, 0.0008443000000000, -0.0009718800000000 ] - [ -0.0009932900000000, -0.0002168000000000, -0.0009335400000000 ] - [ -0.0014891100000000, -0.0003922300000000, -0.0006623900000000 ] - [ -0.0015302000000000, -0.0002099200000000, -0.0009970300000000 ] - [ -0.0010447100000000, -0.0003943600000000, -0.0012723400000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001374600000000, 0.0000000000000000, 0.0001978900000000 ] - [ 0.0006139200000000, 0.0000000000000000, 0.0005400600000000 ] - [ 0.0001182500000000, 0.0000491400000000, 0.0001846900000000 ] - [ 0.0000966000000000, 0.0000898300000000, 0.0001794500000000 ] - [ 0.0001182500000000, -0.0000491400000000, 0.0001846900000000 ] - [ 0.0000966000000000, -0.0000898300000000, 0.0001794500000000 ] - [ -0.0000316200000000, 0.0001855800000000, -0.0002789400000000 ] - [ -0.0001171600000000, 0.0000025000000000, -0.0001255800000000 ] - [ 0.0000072500000000, 0.0000000000000000, -0.0004893600000000 ] - [ -0.0001099300000000, 0.0000000000000000, -0.0001192500000000 ] - [ -0.0000316200000000, -0.0001855800000000, -0.0002789400000000 ] - [ -0.0001171600000000, -0.0000025000000000, -0.0001255800000000 ] - [ -0.0167150600000000, 0.0000000000000000, 0.0155095500000000 ] - [ 0.0001131100000000, 0.0000000000000000, -0.0001326400000000 ] - [ 0.0000454400000000, 0.0000492500000000, 0.0001698700000000 ] - [ 0.0001136500000000, 0.0000005700000000, -0.0001409700000000 ] - [ 0.0000454400000000, -0.0000492500000000, 0.0001698700000000 ] - [ 0.0001136500000000, -0.0000005700000000, -0.0001409700000000 ] - [ -0.0004676700000000, -0.0000046900000000, -0.0001324200000000 ] - [ 0.0000668700000000, -0.0000419000000000, -0.0000459900000000 ] - [ -0.0001136300000000, 0.0000000000000000, 0.0001543000000000 ] - [ -0.0000913200000000, 0.0000000000000000, 0.0000721100000000 ] - [ -0.0004676700000000, 0.0000046900000000, -0.0001324200000000 ] - [ 0.0000668700000000, 0.0000419000000000, -0.0000459900000000 ] - [ 0.0011887100000000, 0.0000467100000000, 0.0096789000000000 ] - [ 0.0016503500000000, -0.0000230100000000, 0.0092692800000000 ] - [ 0.0011662300000000, 0.0000000000000000, 0.0100395300000000 ] - [ 0.0016410100000000, 0.0000000000000000, 0.0092649100000000 ] - [ 0.0011887100000000, -0.0000467100000000, 0.0096789000000000 ] - [ 0.0016503500000000, 0.0000230100000000, 0.0092692800000000 ] - [ -0.0013469200000000, 0.0000000000000000, -0.0090956600000000 ] - [ 0.0008947600000000, 0.0000000000000000, -0.0051082800000000 ] - [ -0.0013210200000000, 0.0000147600000000, -0.0091078200000000 ] - [ -0.0001185700000000, 0.0026874200000000, -0.0068054100000000 ] - [ -0.0013210200000000, -0.0000147600000000, -0.0091078200000000 ] - [ -0.0001185700000000, -0.0026874200000000, -0.0068054100000000 ] - [ 0.0025512300000000, -0.0001367900000000, -0.0082673400000000 ] - [ 0.0015653000000000, -0.0000195100000000, -0.0091774400000000 ] - [ 0.0014737900000000, 0.0000000000000000, -0.0091632000000000 ] - [ 0.0016150100000000, 0.0000000000000000, -0.0092106300000000 ] - [ 0.0025512300000000, 0.0001367900000000, -0.0082673400000000 ] - [ 0.0015653000000000, 0.0000195100000000, -0.0091774400000000 ] - [ -0.0013545300000000, 0.0000000000000000, 0.0082922800000000 ] - [ -0.0012662200000000, 0.0000000000000000, 0.0089631600000000 ] - [ -0.0006174200000000, -0.0012188100000000, 0.0074230000000000 ] - [ -0.0012480700000000, 0.0000464100000000, 0.0090226200000000 ] - [ -0.0006174200000000, 0.0012188100000000, 0.0074230000000000 ] - [ -0.0012480700000000, -0.0000464100000000, 0.0090226200000000 ] - [ 0.0017892600000000, 0.0000000000000000, -0.0650054400000000 ] - [ -0.0028810300000000, 0.0000000000000000, 0.0002644700000000 ] - [ -0.0037507400000000, 0.0000835900000000, -0.0011094400000000 ] - [ -0.0028841100000000, -0.0000030100000000, 0.0002865700000000 ] - [ -0.0037507400000000, -0.0000835900000000, -0.0011094400000000 ] - [ -0.0028841100000000, 0.0000030100000000, 0.0002865700000000 ] - [ 0.0033442700000000, -0.0000435800000000, -0.0001297400000000 ] - [ 0.0019055000000000, -0.0006347700000000, 0.0008780600000000 ] - [ 0.0031408800000000, 0.0000000000000000, -0.0001442300000000 ] - [ 0.0028393100000000, 0.0000000000000000, -0.0002935600000000 ] - [ 0.0033442700000000, 0.0000435800000000, -0.0001297400000000 ] - [ 0.0019055000000000, 0.0006347700000000, 0.0008780600000000 ] - [ -0.0031708900000000, 0.0000000000000000, -0.0002605500000000 ] - [ -0.0028670600000000, 0.0000000000000000, -0.0002585100000000 ] - [ -0.0030868400000000, 0.0002349200000000, -0.0004356300000000 ] - [ -0.0027773200000000, 0.0000070700000000, -0.0004383800000000 ] - [ -0.0030868400000000, -0.0002349200000000, -0.0004356300000000 ] - [ -0.0027773200000000, -0.0000070700000000, -0.0004383800000000 ] - [ 0.0028940300000000, -0.0001334000000000, 0.0009128200000000 ] - [ 0.0031693200000000, -0.0000084200000000, 0.0002305100000000 ] - [ 0.0029070100000000, 0.0000000000000000, 0.0011056900000000 ] - [ 0.0031608800000000, 0.0000000000000000, 0.0001587600000000 ] - [ 0.0028940300000000, 0.0001334000000000, 0.0009128200000000 ] - [ 0.0031693200000000, 0.0000084200000000, 0.0002305100000000 ] - [ -0.0050837500000000, 0.0034529700000000, 0.0022098800000000 ] - [ -0.0021213600000000, -0.0000109200000000, -0.0014446100000000 ] - [ -0.0027907200000000, 0.0000000000000000, -0.0018033800000000 ] - [ -0.0021790000000000, 0.0000000000000000, -0.0014723600000000 ] - [ -0.0050837500000000, -0.0034529700000000, 0.0022098800000000 ] - [ -0.0021213600000000, 0.0000109200000000, -0.0014446100000000 ] - [ 0.0026959300000000, 0.0000000000000000, 0.0017366200000000 ] - [ 0.0022149400000000, 0.0000000000000000, 0.0018729200000000 ] - [ 0.0025802000000000, -0.0001084900000000, 0.0017300800000000 ] - [ 0.0023106000000000, -0.0002320500000000, 0.0021470600000000 ] - [ 0.0025802000000000, 0.0001084900000000, 0.0017300800000000 ] - [ 0.0023106000000000, 0.0002320500000000, 0.0021470600000000 ] - [ -0.0023595800000000, -0.0000193400000000, 0.0013444800000000 ] - [ -0.0012498300000000, 0.0001570800000000, 0.0008646400000000 ] - [ -0.0021026100000000, 0.0000000000000000, 0.0013333300000000 ] - [ -0.0023912700000000, 0.0000000000000000, 0.0013035700000000 ] - [ -0.0023595800000000, 0.0000193400000000, 0.0013444800000000 ] - [ -0.0012498300000000, -0.0001570800000000, 0.0008646400000000 ] - [ 0.0033048500000000, 0.0000000000000000, 0.0005812500000000 ] - [ 0.0025673700000000, 0.0000000000000000, -0.0015361800000000 ] - [ 0.0019478700000000, -0.0009037200000000, -0.0001590500000000 ] - [ 0.0025850900000000, -0.0000214000000000, -0.0015158100000000 ] - [ 0.0019478700000000, 0.0009037200000000, -0.0001590500000000 ] - [ 0.0025850900000000, 0.0000214000000000, -0.0015158100000000 ] - [ 0.0040067600000000, -0.0003130400000000, -0.0043763900000000 ] - [ 0.0023959700000000, -0.0000130500000000, -0.0053629300000000 ] - [ 0.0031587100000000, 0.0000000000000000, -0.0044459000000000 ] - [ 0.0026918600000000, 0.0000000000000000, -0.0052210500000000 ] - [ 0.0040067600000000, 0.0003130400000000, -0.0043763900000000 ] - [ 0.0023959700000000, 0.0000130500000000, -0.0053629300000000 ] - [ -0.0031386200000000, 0.0000000000000000, 0.0049445900000000 ] - [ -0.0031182600000000, 0.0000000000000000, 0.0054423700000000 ] - [ -0.0033016100000000, 0.0003590600000000, 0.0048261500000000 ] - [ -0.0032694000000000, 0.0000053900000000, 0.0054803300000000 ] - [ -0.0033016100000000, -0.0003590600000000, 0.0048261500000000 ] - [ -0.0032694000000000, -0.0000053900000000, 0.0054803300000000 ] - [ 0.0066522100000000, 0.0113582200000000, 0.0202409600000000 ] - [ 0.0027041500000000, 0.0000066100000000, 0.0053708400000000 ] - [ 0.0036240300000000, 0.0000000000000000, 0.0065687900000000 ] - [ 0.0026629200000000, 0.0000000000000000, 0.0053833200000000 ] - [ 0.0066522100000000, -0.0113582200000000, 0.0202409600000000 ] - [ 0.0027041500000000, -0.0000066100000000, 0.0053708400000000 ] - [ -0.0033692600000000, 0.0000000000000000, -0.0055359000000000 ] - [ -0.0022247500000000, 0.0000000000000000, -0.0058180000000000 ] - [ -0.0033040900000000, 0.0001146000000000, -0.0055217900000000 ] - [ -0.0022906800000000, 0.0001104900000000, -0.0057188600000000 ] - [ -0.0033040900000000, -0.0001146000000000, -0.0055217900000000 ] - [ -0.0022906800000000, -0.0001104900000000, -0.0057188600000000 ] - [ 0.0011329200000000, -0.0000344100000000, -0.0011245500000000 ] - [ 0.0006148400000000, -0.0006130100000000, -0.0017382100000000 ] - [ 0.0011384800000000, 0.0000000000000000, -0.0011408200000000 ] - [ 0.0001862900000000, 0.0000000000000000, -0.0018812500000000 ] - [ 0.0011329200000000, 0.0000344100000000, -0.0011245500000000 ] - [ 0.0006148400000000, 0.0006130100000000, -0.0017382100000000 ] - [ -0.0006045900000000, 0.0000000000000000, -0.0001933800000000 ] - [ -0.0015316300000000, 0.0000000000000000, 0.0008740800000000 ] - [ -0.0010765800000000, -0.0007711600000000, -0.0002005200000000 ] - [ -0.0015180800000000, -0.0000043500000000, 0.0008963900000000 ] - [ -0.0010765800000000, 0.0007711600000000, -0.0002005200000000 ] - [ -0.0015180800000000, 0.0000043500000000, 0.0008963900000000 ] - [ 0.0012062000000000, 0.0014622700000000, 0.0018042700000000 ] - [ 0.0010236400000000, 0.0000084300000000, 0.0010767600000000 ] - [ 0.0019872500000000, 0.0000000000000000, 0.0012674500000000 ] - [ 0.0010145400000000, 0.0000000000000000, 0.0010400900000000 ] - [ 0.0012062000000000, -0.0014622700000000, 0.0018042700000000 ] - [ 0.0010236400000000, -0.0000084300000000, 0.0010767600000000 ] - [ -0.0017026300000000, 0.0000000000000000, -0.0007295100000000 ] - [ -0.0000944500000000, 0.0000000000000000, -0.0008608300000000 ] - [ -0.0015426600000000, 0.0001611100000000, -0.0008654600000000 ] - [ -0.0011231500000000, -0.0000043400000000, -0.0004999600000000 ] - [ -0.0015426600000000, -0.0001611100000000, -0.0008654600000000 ] - [ -0.0011231500000000, 0.0000043400000000, -0.0004999600000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000865400000000, 0.0000000000000000, 0.0000821800000000 ] - [ -0.0003940400000000, 0.0000000000000000, -0.0002679800000000 ] - [ 0.0000954400000000, -0.0000507100000000, 0.0000737100000000 ] - [ 0.0001162700000000, -0.0000910800000000, 0.0000826200000000 ] - [ 0.0000954400000000, 0.0000507100000000, 0.0000737100000000 ] - [ 0.0001162700000000, 0.0000910800000000, 0.0000826200000000 ] - [ -0.0001820300000000, -0.0001878500000000, 0.0000198100000000 ] - [ -0.0001043900000000, -0.0000014400000000, -0.0001447700000000 ] - [ -0.0002245200000000, 0.0000000000000000, 0.0002242000000000 ] - [ -0.0001144600000000, 0.0000000000000000, -0.0001530800000000 ] - [ -0.0001820300000000, 0.0001878500000000, 0.0000198100000000 ] - [ -0.0001043900000000, 0.0000014400000000, -0.0001447700000000 ] - [ 0.0162547300000000, 0.0000000000000000, -0.0153822400000000 ] - [ 0.0001104700000000, 0.0000000000000000, -0.0001469600000000 ] - [ 0.0001700400000000, -0.0000464800000000, -0.0004317200000000 ] - [ 0.0001090600000000, -0.0000021500000000, -0.0001312200000000 ] - [ 0.0001700400000000, 0.0000464800000000, -0.0004317200000000 ] - [ 0.0001090600000000, 0.0000021500000000, -0.0001312200000000 ] - [ 0.0002542100000000, 0.0000053500000000, 0.0003870300000000 ] - [ -0.0002831200000000, 0.0000440200000000, 0.0003069400000000 ] - [ -0.0001085800000000, 0.0000000000000000, 0.0001209900000000 ] - [ -0.0001292800000000, 0.0000000000000000, 0.0001997900000000 ] - [ 0.0002542100000000, -0.0000053500000000, 0.0003870300000000 ] - [ -0.0002831200000000, -0.0000440200000000, 0.0003069400000000 ] - [ 0.0017259300000000, -0.0000467400000000, 0.0086962400000000 ] - [ 0.0012671400000000, 0.0000229400000000, 0.0091085200000000 ] - [ 0.0017513400000000, 0.0000000000000000, 0.0083342600000000 ] - [ 0.0012767200000000, 0.0000000000000000, 0.0091133800000000 ] - [ 0.0017259300000000, 0.0000467400000000, 0.0086962400000000 ] - [ 0.0012671400000000, -0.0000229400000000, 0.0091085200000000 ] - [ -0.0015723500000000, 0.0000000000000000, -0.0092805800000000 ] - [ -0.0037837400000000, 0.0000000000000000, -0.0132075200000000 ] - [ -0.0015917700000000, -0.0000145600000000, -0.0092725900000000 ] - [ -0.0027976700000000, -0.0026832500000000, -0.0115611400000000 ] - [ -0.0015917700000000, 0.0000145600000000, -0.0092725900000000 ] - [ -0.0027976700000000, 0.0026832500000000, -0.0115611400000000 ] - [ 0.0003591900000000, 0.0001389400000000, -0.0101117900000000 ] - [ 0.0013529200000000, 0.0000204900000000, -0.0091991400000000 ] - [ 0.0014427200000000, 0.0000000000000000, -0.0092140000000000 ] - [ 0.0013012500000000, 0.0000000000000000, -0.0091655100000000 ] - [ 0.0003591900000000, -0.0001389400000000, -0.0101117900000000 ] - [ 0.0013529200000000, -0.0000204900000000, -0.0091991400000000 ] - [ -0.0015409300000000, 0.0000000000000000, 0.0100920300000000 ] - [ -0.0016567600000000, 0.0000000000000000, 0.0094128300000000 ] - [ -0.0023090200000000, 0.0012247600000000, 0.0109658600000000 ] - [ -0.0016709700000000, -0.0000477100000000, 0.0093537100000000 ] - [ -0.0023090200000000, -0.0012247600000000, 0.0109658600000000 ] - [ -0.0016709700000000, 0.0000477100000000, 0.0093537100000000 ] - [ -0.0074627400000000, 0.0000000000000000, 0.0644724200000000 ] - [ -0.0032063300000000, 0.0000000000000000, 0.0002474700000000 ] - [ -0.0023407500000000, -0.0000894400000000, 0.0016218600000000 ] - [ -0.0032077700000000, 0.0000028600000000, 0.0002291700000000 ] - [ -0.0023407500000000, 0.0000894400000000, 0.0016218600000000 ] - [ -0.0032077700000000, -0.0000028600000000, 0.0002291700000000 ] - [ 0.0027513300000000, 0.0000422100000000, -0.0003850100000000 ] - [ 0.0042051500000000, 0.0006470600000000, -0.0014084000000000 ] - [ 0.0029534200000000, 0.0000000000000000, -0.0003708700000000 ] - [ 0.0032545600000000, 0.0000000000000000, -0.0002207800000000 ] - [ 0.0027513300000000, -0.0000422100000000, -0.0003850100000000 ] - [ 0.0042051500000000, -0.0006470600000000, -0.0014084000000000 ] - [ -0.0029161700000000, 0.0000000000000000, -0.0002542500000000 ] - [ -0.0032204600000000, 0.0000000000000000, -0.0002558400000000 ] - [ -0.0030097100000000, -0.0002372500000000, -0.0000812500000000 ] - [ -0.0033141200000000, -0.0000075600000000, -0.0000783500000000 ] - [ -0.0030097100000000, 0.0002372500000000, -0.0000812500000000 ] - [ -0.0033141200000000, 0.0000075600000000, -0.0000783500000000 ] - [ 0.0031967100000000, 0.0001349500000000, -0.0004005300000000 ] - [ 0.0029245200000000, 0.0000094700000000, 0.0002844900000000 ] - [ 0.0031852300000000, 0.0000000000000000, -0.0005900800000000 ] - [ 0.0029314200000000, 0.0000000000000000, 0.0003566700000000 ] - [ 0.0031967100000000, -0.0001349500000000, -0.0004005300000000 ] - [ 0.0029245200000000, -0.0000094700000000, 0.0002844900000000 ] - [ 0.0002929600000000, -0.0034248100000000, -0.0052392400000000 ] - [ -0.0026551500000000, 0.0000158700000000, -0.0015943700000000 ] - [ -0.0019832600000000, 0.0000000000000000, -0.0012370000000000 ] - [ -0.0025958300000000, 0.0000000000000000, -0.0015679200000000 ] - [ 0.0002929600000000, 0.0034248100000000, -0.0052392400000000 ] - [ -0.0026551500000000, -0.0000158700000000, -0.0015943700000000 ] - [ 0.0020778600000000, 0.0000000000000000, 0.0013049100000000 ] - [ 0.0025632400000000, 0.0000000000000000, 0.0011714200000000 ] - [ 0.0021952100000000, 0.0001073300000000, 0.0013114200000000 ] - [ 0.0024669700000000, 0.0002348100000000, 0.0008944900000000 ] - [ 0.0021952100000000, -0.0001073300000000, 0.0013114200000000 ] - [ 0.0024669700000000, -0.0002348100000000, 0.0008944900000000 ] - [ -0.0024138900000000, 0.0000225400000000, 0.0016975000000000 ] - [ -0.0035422000000000, -0.0001621400000000, 0.0021663000000000 ] - [ -0.0026752100000000, 0.0000000000000000, 0.0017126900000000 ] - [ -0.0023845500000000, 0.0000000000000000, 0.0017355700000000 ] - [ -0.0024138900000000, -0.0000225400000000, 0.0016975000000000 ] - [ -0.0035422000000000, 0.0001621400000000, 0.0021663000000000 ] - [ 0.0014493600000000, 0.0000000000000000, -0.0036688500000000 ] - [ 0.0022089000000000, 0.0000000000000000, -0.0015031900000000 ] - [ 0.0028270400000000, 0.0009018100000000, -0.0028822500000000 ] - [ 0.0021905000000000, 0.0000206700000000, -0.0015260800000000 ] - [ 0.0028270400000000, -0.0009018100000000, -0.0028822500000000 ] - [ 0.0021905000000000, -0.0000206700000000, -0.0015260800000000 ] - [ 0.0019541600000000, 0.0003298400000000, -0.0064799300000000 ] - [ 0.0035820200000000, 0.0000141100000000, -0.0054932400000000 ] - [ 0.0028148500000000, 0.0000000000000000, -0.0064164200000000 ] - [ 0.0032821900000000, 0.0000000000000000, -0.0056364400000000 ] - [ 0.0019541600000000, -0.0003298400000000, -0.0064799300000000 ] - [ 0.0035820200000000, -0.0000141100000000, -0.0054932400000000 ] - [ -0.0028301300000000, 0.0000000000000000, 0.0059138500000000 ] - [ -0.0028578400000000, 0.0000000000000000, 0.0054189300000000 ] - [ -0.0026718900000000, -0.0003632100000000, 0.0060338400000000 ] - [ -0.0027063600000000, -0.0000064500000000, 0.0053789800000000 ] - [ -0.0026718900000000, 0.0003632100000000, 0.0060338400000000 ] - [ -0.0027063600000000, 0.0000064500000000, 0.0053789800000000 ] - [ -0.0004949900000000, -0.0108425900000000, -0.0090288600000000 ] - [ 0.0032677900000000, -0.0000060700000000, 0.0054892600000000 ] - [ 0.0023513200000000, 0.0000000000000000, 0.0042948000000000 ] - [ 0.0033070100000000, 0.0000000000000000, 0.0054765400000000 ] - [ -0.0004949900000000, 0.0108425900000000, -0.0090288600000000 ] - [ 0.0032677900000000, 0.0000060700000000, 0.0054892600000000 ] - [ -0.0026035600000000, 0.0000000000000000, -0.0053240300000000 ] - [ -0.0037521200000000, 0.0000000000000000, -0.0050473600000000 ] - [ -0.0026698300000000, -0.0001153900000000, -0.0053382500000000 ] - [ -0.0036835900000000, -0.0001135400000000, -0.0051378100000000 ] - [ -0.0026698300000000, 0.0001153900000000, -0.0053382500000000 ] - [ -0.0036835900000000, 0.0001135400000000, -0.0051378100000000 ] - [ 0.0013915900000000, 0.0000364400000000, -0.0008190800000000 ] - [ 0.0019048200000000, 0.0006073800000000, -0.0002102500000000 ] - [ 0.0013919200000000, 0.0000000000000000, -0.0008115200000000 ] - [ 0.0023383800000000, 0.0000000000000000, -0.0000707600000000 ] - [ 0.0013915900000000, -0.0000364400000000, -0.0008190800000000 ] - [ 0.0019048200000000, -0.0006073800000000, -0.0002102500000000 ] - [ -0.0019194400000000, 0.0000000000000000, 0.0021618800000000 ] - [ -0.0009953800000000, 0.0000000000000000, 0.0010781500000000 ] - [ -0.0014496600000000, 0.0007735700000000, 0.0021544500000000 ] - [ -0.0010107100000000, 0.0000029900000000, 0.0010516300000000 ] - [ -0.0014496600000000, -0.0007735700000000, 0.0021544500000000 ] - [ -0.0010107100000000, -0.0000029900000000, 0.0010516300000000 ] - [ 0.0012927700000000, -0.0014217600000000, 0.0001202900000000 ] - [ 0.0015032800000000, -0.0000071600000000, 0.0008698600000000 ] - [ 0.0005380400000000, 0.0000000000000000, 0.0006896700000000 ] - [ 0.0015110000000000, 0.0000000000000000, 0.0009104600000000 ] - [ 0.0012927700000000, 0.0014217600000000, 0.0001202900000000 ] - [ 0.0015032800000000, 0.0000071600000000, 0.0008698600000000 ] - [ -0.0008286600000000, 0.0000000000000000, -0.0012227800000000 ] - [ -0.0024381800000000, 0.0000000000000000, -0.0011019100000000 ] - [ -0.0009770500000000, -0.0001663900000000, -0.0010892100000000 ] - [ -0.0014043000000000, 0.0000053900000000, -0.0014571100000000 ] - [ -0.0009770500000000, 0.0001663900000000, -0.0010892100000000 ] - [ -0.0014043000000000, -0.0000053900000000, -0.0014571100000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000892700000000, 0.0001072600000000, 0.0000292700000000 ] - [ -0.0000195100000000, -0.0001759000000000, 0.0003144700000000 ] - [ -0.0000892700000000, -0.0001072600000000, 0.0000292700000000 ] - [ -0.0000195100000000, 0.0001759000000000, 0.0003144700000000 ] - [ 0.0001034900000000, 0.0000000000000000, 0.0002200500000000 ] - [ 0.0001230100000000, 0.0000000000000000, 0.0000851800000000 ] - [ 0.0000262500000000, 0.0000000000000000, -0.0001633100000000 ] - [ -0.0001599100000000, 0.0000000000000000, -0.0001112600000000 ] - [ -0.0000711000000000, 0.0000220000000000, -0.0002084600000000 ] - [ -0.0001879100000000, 0.0000019500000000, -0.0000967500000000 ] - [ -0.0000711000000000, -0.0000220000000000, -0.0002084600000000 ] - [ -0.0001879100000000, -0.0000019500000000, -0.0000967500000000 ] - [ 0.0003130800000000, -0.0011208400000000, -0.0005759800000000 ] - [ 0.0000503800000000, -0.0000079900000000, -0.0001661200000000 ] - [ 0.0003130800000000, 0.0011208400000000, -0.0005759800000000 ] - [ 0.0000503800000000, 0.0000079900000000, -0.0001661200000000 ] - [ 0.0000841600000000, 0.0000000000000000, -0.0001337600000000 ] - [ 0.0001310100000000, 0.0000000000000000, -0.0001578100000000 ] - [ -0.0001030000000000, 0.0000000000000000, 0.0001905200000000 ] - [ -0.0001691500000000, 0.0000000000000000, 0.0001072100000000 ] - [ -0.0001055500000000, -0.0000581800000000, 0.0002202800000000 ] - [ -0.0001365300000000, 0.0001050300000000, 0.0000446600000000 ] - [ -0.0001055500000000, 0.0000581800000000, 0.0002202800000000 ] - [ -0.0001365300000000, -0.0001050300000000, 0.0000446600000000 ] - [ 0.0012577400000000, 0.0000000000000000, 0.0093132700000000 ] - [ 0.0018223300000000, 0.0000000000000000, 0.0091774500000000 ] - [ 0.0011841300000000, 0.0001041000000000, 0.0092484500000000 ] - [ 0.0018722000000000, -0.0000096500000000, 0.0091622600000000 ] - [ 0.0011841300000000, -0.0001041000000000, 0.0092484500000000 ] - [ 0.0018722000000000, 0.0000096500000000, 0.0091622600000000 ] - [ -0.0007250500000000, 0.0000675500000000, -0.0092654500000000 ] - [ 0.0012721300000000, -0.0030312800000000, -0.0078192500000000 ] - [ -0.0007250500000000, -0.0000675500000000, -0.0092654500000000 ] - [ 0.0012721300000000, 0.0030312800000000, -0.0078192500000000 ] - [ -0.0010644100000000, 0.0000000000000000, -0.0089403900000000 ] - [ -0.0016219100000000, 0.0000000000000000, -0.0092889200000000 ] - [ 0.0012896700000000, 0.0000000000000000, -0.0090786700000000 ] - [ 0.0017898000000000, 0.0000000000000000, -0.0093571800000000 ] - [ 0.0012215300000000, -0.0002185100000000, -0.0089334300000000 ] - [ 0.0018503000000000, 0.0000238900000000, -0.0093238800000000 ] - [ 0.0012215300000000, 0.0002185100000000, -0.0089334300000000 ] - [ 0.0018503000000000, -0.0000238900000000, -0.0093238800000000 ] - [ -0.0002436700000000, 0.0021369800000000, 0.0123021800000000 ] - [ -0.0008481400000000, -0.0002216900000000, 0.0089825000000000 ] - [ -0.0002436700000000, -0.0021369800000000, 0.0123021800000000 ] - [ -0.0008481400000000, 0.0002216900000000, 0.0089825000000000 ] - [ -0.0020239500000000, 0.0000000000000000, 0.0094819400000000 ] - [ -0.0010546000000000, 0.0000000000000000, 0.0090519700000000 ] - [ -0.0026791000000000, -0.0018511600000000, -0.0024255500000000 ] - [ -0.0024680200000000, 0.0001980200000000, 0.0005267400000000 ] - [ -0.0026791000000000, 0.0018511600000000, -0.0024255500000000 ] - [ -0.0024680200000000, -0.0001980200000000, 0.0005267400000000 ] - [ -0.0035793600000000, 0.0000000000000000, -0.0001413600000000 ] - [ -0.0026698300000000, 0.0000000000000000, 0.0004667700000000 ] - [ 0.0033031300000000, 0.0000000000000000, 0.0000452300000000 ] - [ 0.0031052500000000, 0.0000000000000000, -0.0004408100000000 ] - [ 0.0032491200000000, -0.0000856500000000, -0.0000709800000000 ] - [ 0.0029647100000000, 0.0000245000000000, -0.0003435400000000 ] - [ 0.0032491200000000, 0.0000856500000000, -0.0000709800000000 ] - [ 0.0029647100000000, -0.0000245000000000, -0.0003435400000000 ] - [ -0.0005390500000000, 0.0025763300000000, -0.0014018000000000 ] - [ -0.0024173700000000, -0.0000745200000000, -0.0002930300000000 ] - [ -0.0005390500000000, -0.0025763300000000, -0.0014018000000000 ] - [ -0.0024173700000000, 0.0000745200000000, -0.0002930300000000 ] - [ -0.0030852200000000, 0.0000000000000000, -0.0002591300000000 ] - [ -0.0027492300000000, 0.0000000000000000, -0.0005506900000000 ] - [ 0.0030532100000000, 0.0000000000000000, -0.0006715000000000 ] - [ 0.0033823500000000, 0.0000000000000000, 0.0000820900000000 ] - [ 0.0024700900000000, 0.0002568200000000, 0.0006966200000000 ] - [ 0.0033608000000000, -0.0000441100000000, 0.0000611400000000 ] - [ 0.0024700900000000, -0.0002568200000000, 0.0006966200000000 ] - [ 0.0033608000000000, 0.0000441100000000, 0.0000611400000000 ] - [ -0.0776162200000000, 0.0000000000000000, -0.0012295500000000 ] - [ -0.0008841200000000, 0.0000000000000000, -0.0014728100000000 ] - [ -0.0032331600000000, 0.0000029200000000, -0.0017616800000000 ] - [ -0.0019022400000000, -0.0000045000000000, -0.0014576900000000 ] - [ -0.0032331600000000, -0.0000029200000000, -0.0017616800000000 ] - [ -0.0019022400000000, 0.0000045000000000, -0.0014576900000000 ] - [ 0.0023629600000000, 0.0000573400000000, 0.0013728100000000 ] - [ 0.0024618300000000, -0.0000218800000000, 0.0017424600000000 ] - [ 0.0023629600000000, -0.0000573400000000, 0.0013728100000000 ] - [ 0.0024618300000000, 0.0000218800000000, 0.0017424600000000 ] - [ 0.0022509000000000, 0.0000000000000000, 0.0011960700000000 ] - [ 0.0025878700000000, 0.0000000000000000, 0.0021491200000000 ] - [ 0.0043075900000000, 0.0000000000000000, 0.0036049700000000 ] - [ 0.0043602000000000, 0.0000000000000000, -0.0002202900000000 ] - [ -0.0022280000000000, -0.0002274500000000, 0.0016692400000000 ] - [ -0.0022289500000000, 0.0001930600000000, 0.0013552900000000 ] - [ -0.0022280000000000, 0.0002274500000000, 0.0016692400000000 ] - [ -0.0022289500000000, -0.0001930600000000, 0.0013552900000000 ] - [ 0.0019819000000000, 0.0000362500000000, -0.0014695100000000 ] - [ 0.0027380800000000, 0.0000054100000000, -0.0015909300000000 ] - [ 0.0019819000000000, -0.0000362500000000, -0.0014695100000000 ] - [ 0.0027380800000000, -0.0000054100000000, -0.0015909300000000 ] - [ 0.0020308500000000, 0.0000000000000000, -0.0013402500000000 ] - [ 0.0027633300000000, 0.0000000000000000, -0.0016066400000000 ] - [ 0.0250663800000000, 0.0000000000000000, 0.0045027700000000 ] - [ 0.0007634500000000, 0.0000000000000000, -0.0057593400000000 ] - [ 0.0039115300000000, 0.0007504100000000, -0.0055807500000000 ] - [ 0.0023578900000000, -0.0001940600000000, -0.0052317200000000 ] - [ 0.0039115300000000, -0.0007504100000000, -0.0055807500000000 ] - [ 0.0023578900000000, 0.0001940600000000, -0.0052317200000000 ] - [ -0.0025733600000000, -0.0003505900000000, 0.0052790600000000 ] - [ -0.0034843100000000, -0.0000088200000000, 0.0056134000000000 ] - [ -0.0025733600000000, 0.0003505900000000, 0.0052790600000000 ] - [ -0.0034843100000000, 0.0000088200000000, 0.0056134000000000 ] - [ -0.0024245100000000, 0.0000000000000000, 0.0050578800000000 ] - [ -0.0036103700000000, 0.0000000000000000, 0.0055939100000000 ] - [ 0.0262523300000000, 0.0000000000000000, -0.0069026100000000 ] - [ 0.0007864000000000, 0.0000000000000000, 0.0057502600000000 ] - [ 0.0039849600000000, -0.0006154900000000, 0.0057301400000000 ] - [ 0.0023894600000000, 0.0001383200000000, 0.0052240000000000 ] - [ 0.0039849600000000, 0.0006154900000000, 0.0057301400000000 ] - [ 0.0023894600000000, -0.0001383200000000, 0.0052240000000000 ] - [ -0.0033946600000000, -0.0000278200000000, -0.0055643100000000 ] - [ -0.0025738800000000, 0.0000991900000000, -0.0053309400000000 ] - [ -0.0033946600000000, 0.0000278200000000, -0.0055643100000000 ] - [ -0.0025738800000000, -0.0000991900000000, -0.0053309400000000 ] - [ -0.0033663800000000, 0.0000000000000000, -0.0054948900000000 ] - [ -0.0024219600000000, 0.0000000000000000, -0.0054925600000000 ] - [ 0.0005883000000000, 0.0000000000000000, -0.0002599400000000 ] - [ 0.0007673900000000, 0.0000000000000000, -0.0017525600000000 ] - [ 0.0005612500000000, 0.0007880300000000, -0.0002566900000000 ] - [ 0.0006857900000000, -0.0009138300000000, -0.0017590000000000 ] - [ 0.0005612500000000, -0.0007880300000000, -0.0002566900000000 ] - [ 0.0006857900000000, 0.0009138300000000, -0.0017590000000000 ] - [ -0.0000386800000000, -0.0003833500000000, 0.0019810600000000 ] - [ -0.0019371700000000, 0.0000127100000000, 0.0010452800000000 ] - [ -0.0000386800000000, 0.0003833500000000, 0.0019810600000000 ] - [ -0.0019371700000000, -0.0000127100000000, 0.0010452800000000 ] - [ -0.0007727700000000, 0.0000000000000000, 0.0011258400000000 ] - [ -0.0017167300000000, 0.0000000000000000, 0.0009591900000000 ] - [ 0.0029525700000000, 0.0000000000000000, 0.0007928100000000 ] - [ 0.0006649200000000, 0.0000000000000000, 0.0009805900000000 ] - [ 0.0026393100000000, 0.0000758100000000, 0.0009413000000000 ] - [ 0.0006544200000000, -0.0000142400000000, 0.0009652500000000 ] - [ 0.0026393100000000, -0.0000758100000000, 0.0009413000000000 ] - [ 0.0006544200000000, 0.0000142400000000, 0.0009652500000000 ] - [ -0.0017503900000000, -0.0004159000000000, -0.0018107600000000 ] - [ -0.0016244100000000, 0.0005331700000000, -0.0003484600000000 ] - [ -0.0017503900000000, 0.0004159000000000, -0.0018107600000000 ] - [ -0.0016244100000000, -0.0005331700000000, -0.0003484600000000 ] - [ -0.0011574000000000, 0.0000000000000000, -0.0011027300000000 ] - [ -0.0014394900000000, 0.0000000000000000, -0.0008485000000000 ]- atom: 73 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003176600000000, -0.0001098900000000, 0.0002683300000000 ] - [ 0.0002602800000000, 0.0001745700000000, -0.0000116100000000 ] - [ 0.0003176600000000, 0.0001098900000000, 0.0002683300000000 ] - [ 0.0002602800000000, -0.0001745700000000, -0.0000116100000000 ] - [ 0.0001300800000000, 0.0000000000000000, 0.0000691200000000 ] - [ 0.0001113200000000, 0.0000000000000000, 0.0002125800000000 ] - [ -0.0002539500000000, 0.0000000000000000, -0.0001315700000000 ] - [ -0.0000695800000000, 0.0000000000000000, -0.0001795200000000 ] - [ -0.0001649300000000, -0.0000223500000000, -0.0000872900000000 ] - [ -0.0000411600000000, -0.0000013500000000, -0.0001896300000000 ] - [ -0.0001649300000000, 0.0000223500000000, -0.0000872900000000 ] - [ -0.0000411600000000, 0.0000013500000000, -0.0001896300000000 ] - [ -0.0000992500000000, 0.0012235400000000, 0.0003508200000000 ] - [ 0.0001819300000000, 0.0000073900000000, -0.0001268800000000 ] - [ -0.0000992500000000, -0.0012235400000000, 0.0003508200000000 ] - [ 0.0001819300000000, -0.0000073900000000, -0.0001268800000000 ] - [ 0.0001453100000000, 0.0000000000000000, -0.0001643600000000 ] - [ 0.0001016300000000, 0.0000000000000000, -0.0001314900000000 ] - [ -0.0001302900000000, 0.0000000000000000, 0.0001139200000000 ] - [ -0.0000614900000000, 0.0000000000000000, 0.0001811900000000 ] - [ -0.0001283800000000, 0.0000584900000000, 0.0000851200000000 ] - [ -0.0000951300000000, -0.0001061400000000, 0.0002466000000000 ] - [ -0.0001283800000000, -0.0000584900000000, 0.0000851200000000 ] - [ -0.0000951300000000, 0.0001061400000000, 0.0002466000000000 ] - [ 0.0016668300000000, 0.0000000000000000, 0.0090599400000000 ] - [ 0.0010971100000000, 0.0000000000000000, 0.0091953700000000 ] - [ 0.0017300800000000, -0.0001095100000000, 0.0091120800000000 ] - [ 0.0010501500000000, 0.0000094700000000, 0.0092081800000000 ] - [ 0.0017300800000000, 0.0001095100000000, 0.0091120800000000 ] - [ 0.0010501500000000, -0.0000094700000000, 0.0092081800000000 ] - [ -0.0021926300000000, -0.0000680300000000, -0.0091084500000000 ] - [ -0.0041587300000000, 0.0029999000000000, -0.0105467400000000 ] - [ -0.0021926300000000, 0.0000680300000000, -0.0091084500000000 ] - [ -0.0041587300000000, -0.0029999000000000, -0.0105467400000000 ] - [ -0.0018508300000000, 0.0000000000000000, -0.0094358700000000 ] - [ -0.0012961600000000, 0.0000000000000000, -0.0090877400000000 ] - [ 0.0016203000000000, 0.0000000000000000, -0.0093057300000000 ] - [ 0.0011264600000000, 0.0000000000000000, -0.0090187300000000 ] - [ 0.0016910900000000, 0.0002192000000000, -0.0094461200000000 ] - [ 0.0010690700000000, -0.0000240900000000, -0.0090490700000000 ] - [ 0.0016910900000000, -0.0002192000000000, -0.0094461200000000 ] - [ 0.0010690700000000, 0.0000240900000000, -0.0090490700000000 ] - [ -0.0026681700000000, -0.0021499800000000, 0.0060571100000000 ] - [ -0.0020694700000000, 0.0002198200000000, 0.0093886000000000 ] - [ -0.0026681700000000, 0.0021499800000000, 0.0060571100000000 ] - [ -0.0020694700000000, -0.0002198200000000, 0.0093886000000000 ] - [ -0.0008916000000000, 0.0000000000000000, 0.0088907100000000 ] - [ -0.0018671700000000, 0.0000000000000000, 0.0093184400000000 ] - [ -0.0034317800000000, 0.0018503700000000, 0.0029412300000000 ] - [ -0.0036255000000000, -0.0001996200000000, -0.0000168500000000 ] - [ -0.0034317800000000, -0.0018503700000000, 0.0029412300000000 ] - [ -0.0036255000000000, 0.0001996200000000, -0.0000168500000000 ] - [ -0.0025121800000000, 0.0000000000000000, 0.0006550900000000 ] - [ -0.0034192000000000, 0.0000000000000000, 0.0000415700000000 ] - [ 0.0028013900000000, 0.0000000000000000, -0.0005664700000000 ] - [ 0.0029863900000000, 0.0000000000000000, -0.0000771100000000 ] - [ 0.0028496100000000, 0.0000850500000000, -0.0004455500000000 ] - [ 0.0031241300000000, -0.0000228700000000, -0.0001709600000000 ] - [ 0.0028496100000000, -0.0000850500000000, -0.0004455500000000 ] - [ 0.0031241300000000, 0.0000228700000000, -0.0001709600000000 ] - [ -0.0055780100000000, -0.0026044200000000, 0.0009005500000000 ] - [ -0.0036832600000000, 0.0000744400000000, -0.0002241300000000 ] - [ -0.0055780100000000, 0.0026044200000000, 0.0009005500000000 ] - [ -0.0036832600000000, -0.0000744400000000, -0.0002241300000000 ] - [ -0.0030064200000000, 0.0000000000000000, -0.0002539400000000 ] - [ -0.0033493900000000, 0.0000000000000000, 0.0000342500000000 ] - [ 0.0030383100000000, 0.0000000000000000, 0.0011742900000000 ] - [ 0.0027050300000000, 0.0000000000000000, 0.0004295700000000 ] - [ 0.0036231600000000, -0.0002595400000000, -0.0001942400000000 ] - [ 0.0027217300000000, 0.0000448000000000, 0.0004468000000000 ] - [ 0.0036231600000000, 0.0002595400000000, -0.0001942400000000 ] - [ 0.0027217300000000, -0.0000448000000000, 0.0004468000000000 ] - [ 0.0729703300000000, 0.0000000000000000, -0.0006672200000000 ] - [ -0.0038931800000000, 0.0000000000000000, -0.0015673400000000 ] - [ -0.0015395100000000, -0.0000201400000000, -0.0012730800000000 ] - [ -0.0028746100000000, 0.0000019900000000, -0.0015807300000000 ] - [ -0.0015395100000000, 0.0000201400000000, -0.0012730800000000 ] - [ -0.0028746100000000, -0.0000019900000000, -0.0015807300000000 ] - [ 0.0024158500000000, -0.0000533300000000, 0.0016794400000000 ] - [ 0.0023110700000000, 0.0000238600000000, 0.0012989100000000 ] - [ 0.0024158500000000, 0.0000533300000000, 0.0016794400000000 ] - [ 0.0023110700000000, -0.0000238600000000, 0.0012989100000000 ] - [ 0.0025289200000000, 0.0000000000000000, 0.0018541500000000 ] - [ 0.0021830200000000, 0.0000000000000000, 0.0008939000000000 ] - [ -0.0091364300000000, 0.0000000000000000, -0.0005777400000000 ] - [ -0.0090837400000000, 0.0000000000000000, 0.0032686200000000 ] - [ -0.0025472400000000, 0.0002275900000000, 0.0013720000000000 ] - [ -0.0025491500000000, -0.0001978600000000, 0.0016916800000000 ] - [ -0.0025472400000000, -0.0002275900000000, 0.0013720000000000 ] - [ -0.0025491500000000, 0.0001978600000000, 0.0016916800000000 ] - [ 0.0027939100000000, -0.0000379500000000, -0.0015660800000000 ] - [ 0.0020377700000000, -0.0000024600000000, -0.0014451100000000 ] - [ 0.0027939100000000, 0.0000379500000000, -0.0015660800000000 ] - [ 0.0020377700000000, 0.0000024600000000, -0.0014451100000000 ] - [ 0.0027461600000000, 0.0000000000000000, -0.0016996700000000 ] - [ 0.0020112100000000, 0.0000000000000000, -0.0014282300000000 ] - [ -0.0203199900000000, 0.0000000000000000, -0.0159567000000000 ] - [ 0.0051958300000000, 0.0000000000000000, -0.0051063900000000 ] - [ 0.0020444400000000, -0.0007532400000000, -0.0052787000000000 ] - [ 0.0036114200000000, 0.0001923900000000, -0.0056293600000000 ] - [ 0.0020444400000000, 0.0007532400000000, -0.0052787000000000 ] - [ 0.0036114200000000, -0.0001923900000000, -0.0056293600000000 ] - [ -0.0034139900000000, 0.0003486700000000, 0.0055898700000000 ] - [ -0.0024871100000000, 0.0000102900000000, 0.0052497000000000 ] - [ -0.0034139900000000, -0.0003486700000000, 0.0055898700000000 ] - [ -0.0024871100000000, -0.0000102900000000, 0.0052497000000000 ] - [ -0.0035595900000000, 0.0000000000000000, 0.0058117900000000 ] - [ -0.0023595600000000, 0.0000000000000000, 0.0052674500000000 ] - [ -0.0190864400000000, 0.0000000000000000, 0.0170902800000000 ] - [ 0.0051941800000000, 0.0000000000000000, 0.0051098400000000 ] - [ 0.0020032000000000, 0.0006148000000000, 0.0051378600000000 ] - [ 0.0035818300000000, -0.0001409400000000, 0.0056398300000000 ] - [ 0.0020032000000000, -0.0006148000000000, 0.0051378600000000 ] - [ 0.0035818300000000, 0.0001409400000000, 0.0056398300000000 ] - [ -0.0025669300000000, 0.0000296500000000, -0.0052987800000000 ] - [ -0.0033952200000000, -0.0000966000000000, -0.0055271900000000 ] - [ -0.0025669300000000, -0.0000296500000000, -0.0052987800000000 ] - [ -0.0033952200000000, 0.0000966000000000, -0.0055271900000000 ] - [ -0.0025973500000000, 0.0000000000000000, -0.0053659500000000 ] - [ -0.0035471800000000, 0.0000000000000000, -0.0053632000000000 ] - [ 0.0019296000000000, 0.0000000000000000, -0.0016956700000000 ] - [ 0.0017560100000000, 0.0000000000000000, -0.0002112300000000 ] - [ 0.0019619200000000, -0.0007924500000000, -0.0017016700000000 ] - [ 0.0018352500000000, 0.0009086400000000, -0.0002047800000000 ] - [ 0.0019619200000000, 0.0007924500000000, -0.0017016700000000 ] - [ 0.0018352500000000, -0.0009086400000000, -0.0002047800000000 ] - [ -0.0024918400000000, 0.0003647800000000, -0.0000338800000000 ] - [ -0.0005826700000000, -0.0000097400000000, 0.0008994400000000 ] - [ -0.0024918400000000, -0.0003647800000000, -0.0000338800000000 ] - [ -0.0005826700000000, 0.0000097400000000, 0.0008994400000000 ] - [ -0.0017471200000000, 0.0000000000000000, 0.0008270400000000 ] - [ -0.0008037700000000, 0.0000000000000000, 0.0009872900000000 ] - [ -0.0004378000000000, 0.0000000000000000, 0.0011558400000000 ] - [ 0.0018567000000000, 0.0000000000000000, 0.0009721900000000 ] - [ -0.0001223300000000, -0.0000755000000000, 0.0010140400000000 ] - [ 0.0018669600000000, 0.0000120500000000, 0.0009885900000000 ] - [ -0.0001223300000000, 0.0000755000000000, 0.0010140400000000 ] - [ 0.0018669600000000, -0.0000120500000000, 0.0009885900000000 ] - [ -0.0007731200000000, 0.0004189200000000, -0.0001415200000000 ] - [ -0.0008920900000000, -0.0005305800000000, -0.0016010800000000 ] - [ -0.0007731200000000, -0.0004189200000000, -0.0001415200000000 ] - [ -0.0008920900000000, 0.0005305800000000, -0.0016010800000000 ] - [ -0.0013640500000000, 0.0000000000000000, -0.0008540700000000 ] - [ -0.0010782800000000, 0.0000000000000000, -0.0011031400000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000084800000000, 0.0001128000000000, -0.0000346600000000 ] - [ 0.0002661500000000, 0.0001381700000000, -0.0000662700000000 ] - [ 0.0002160200000000, 0.0001128900000000, 0.0003216200000000 ] - [ -0.0000436800000000, 0.0001379100000000, 0.0003561600000000 ] - [ 0.0001105100000000, 0.0000212100000000, 0.0001354000000000 ] - [ 0.0001100400000000, 0.0000321000000000, 0.0001430500000000 ] - [ -0.0001088100000000, -0.0001610700000000, -0.0001410000000000 ] - [ -0.0001093000000000, -0.0000180900000000, -0.0001367700000000 ] - [ -0.0000874500000000, 0.0001834600000000, -0.0002294700000000 ] - [ -0.0000982500000000, -0.0000051400000000, -0.0001485500000000 ] - [ -0.0001379200000000, 0.0001808400000000, -0.0000574200000000 ] - [ -0.0001234000000000, -0.0000045000000000, -0.0001409900000000 ] - [ -0.0006668900000000, 0.0121998900000000, 0.0105793500000000 ] - [ 0.0001166500000000, -0.0000231600000000, -0.0001412200000000 ] - [ 0.0009190100000000, 0.0129486500000000, -0.0115353000000000 ] - [ 0.0001004500000000, -0.0000229900000000, -0.0001350500000000 ] - [ 0.0001096600000000, -0.0006609300000000, -0.0001361100000000 ] - [ 0.0001110900000000, 0.0000076800000000, -0.0001367700000000 ] - [ -0.0001076000000000, -0.0000211300000000, 0.0001384100000000 ] - [ -0.0001114500000000, -0.0000304200000000, 0.0001396100000000 ] - [ -0.0000911700000000, 0.0000245500000000, 0.0001386700000000 ] - [ -0.0001310200000000, -0.0000100700000000, 0.0001804400000000 ] - [ -0.0001312400000000, 0.0000238400000000, 0.0001461500000000 ] - [ -0.0000920400000000, -0.0000088800000000, 0.0001025200000000 ] - [ 0.0014600700000000, -0.0005882400000000, 0.0091842100000000 ] - [ 0.0014548900000000, -0.0000275400000000, 0.0091806200000000 ] - [ 0.0025951400000000, 0.0020136300000000, 0.0106447900000000 ] - [ 0.0014160400000000, 0.0000223900000000, 0.0092255800000000 ] - [ 0.0003324800000000, 0.0019949400000000, 0.0077318200000000 ] - [ 0.0014922900000000, 0.0000226000000000, 0.0091367200000000 ] - [ -0.0012945600000000, -0.0000048800000000, -0.0092237500000000 ] - [ -0.0029581300000000, 0.0006359600000000, -0.0094894100000000 ] - [ -0.0016170600000000, -0.0000054300000000, -0.0091367900000000 ] - [ 0.0000595200000000, 0.0006386600000000, -0.0088764300000000 ] - [ -0.0014566000000000, 0.0000857600000000, -0.0091794800000000 ] - [ -0.0014576400000000, 0.0003291700000000, -0.0091816900000000 ] - [ 0.0014588500000000, -0.0002177800000000, -0.0091768700000000 ] - [ 0.0014533800000000, -0.0000286800000000, -0.0091811000000000 ] - [ 0.0012870400000000, 0.0002468800000000, -0.0094820400000000 ] - [ 0.0014271100000000, 0.0000504900000000, -0.0092092800000000 ] - [ 0.0016299700000000, 0.0002508500000000, -0.0088710600000000 ] - [ 0.0014834900000000, 0.0000510500000000, -0.0091510900000000 ] - [ 0.0015510500000000, 0.0013735400000000, 0.0126575800000000 ] - [ -0.0014671700000000, -0.0000675000000000, 0.0091542800000000 ] - [ -0.0044836300000000, 0.0013675800000000, 0.0056756100000000 ] - [ -0.0014481100000000, -0.0000687100000000, 0.0092041100000000 ] - [ -0.0014541500000000, 0.0002522200000000, 0.0091807700000000 ] - [ -0.0014570000000000, 0.0000584900000000, 0.0091784500000000 ] - [ -0.0055606100000000, 0.0018608600000000, 0.0036691400000000 ] - [ -0.0030448400000000, -0.0000422800000000, 0.0002283500000000 ] - [ -0.0005267800000000, 0.0018580200000000, -0.0032056300000000 ] - [ -0.0030531300000000, -0.0000428100000000, 0.0002653500000000 ] - [ -0.0030535200000000, 0.0002925000000000, 0.0002478100000000 ] - [ -0.0030498600000000, 0.0000284500000000, 0.0002466200000000 ] - [ 0.0030492100000000, -0.0002030200000000, -0.0002459600000000 ] - [ 0.0030548500000000, -0.0001735300000000, -0.0002468900000000 ] - [ 0.0030173000000000, 0.0001325200000000, -0.0003533200000000 ] - [ 0.0031674900000000, 0.0002382700000000, -0.0004770700000000 ] - [ 0.0030804700000000, 0.0001333600000000, -0.0001376500000000 ] - [ 0.0029403300000000, 0.0002414600000000, -0.0000130300000000 ] - [ -0.0018568300000000, 0.0004883000000000, -0.0004080000000000 ] - [ -0.0032532600000000, -0.0000481200000000, -0.0002265600000000 ] - [ -0.0042531800000000, 0.0004891200000000, -0.0000924000000000 ] - [ -0.0028450200000000, -0.0000500800000000, -0.0002687500000000 ] - [ -0.0030500400000000, 0.0002116800000000, -0.0002477400000000 ] - [ -0.0030500500000000, 0.0001489600000000, -0.0002469400000000 ] - [ 0.0030540700000000, -0.0004842400000000, 0.0002413100000000 ] - [ 0.0030530800000000, -0.0000329700000000, 0.0002482700000000 ] - [ 0.0023730100000000, 0.0012537500000000, 0.0011492100000000 ] - [ 0.0030428700000000, 0.0000335000000000, 0.0002705200000000 ] - [ 0.0037202600000000, 0.0012463000000000, -0.0006469200000000 ] - [ 0.0030648400000000, 0.0000327700000000, 0.0002265100000000 ] - [ -0.0024455300000000, -0.0589107500000000, -0.0010023500000000 ] - [ -0.0023875200000000, -0.0002412700000000, -0.0015125900000000 ] - [ -0.0023990100000000, 0.0058938400000000, -0.0014503000000000 ] - [ -0.0023844400000000, 0.0000547300000000, -0.0015065600000000 ] - [ -0.0023772000000000, 0.0058190600000000, -0.0015800500000000 ] - [ -0.0023897200000000, 0.0000544900000000, -0.0015165700000000 ] - [ 0.0024449100000000, -0.0000715000000000, 0.0015417400000000 ] - [ 0.0023673400000000, -0.0000817400000000, 0.0015466700000000 ] - [ 0.0023300900000000, -0.0000719900000000, 0.0014796200000000 ] - [ 0.0024112000000000, -0.0000854900000000, 0.0014831500000000 ] - [ 0.0023867800000000, 0.0003095800000000, 0.0015108300000000 ] - [ 0.0023911700000000, 0.0005242700000000, 0.0015146400000000 ] - [ -0.0023796600000000, -0.0001848700000000, 0.0015171700000000 ] - [ -0.0023969900000000, -0.0001825500000000, 0.0015152400000000 ] - [ -0.0025838700000000, 0.0001021300000000, 0.0014846300000000 ] - [ -0.0021607200000000, 0.0001015600000000, 0.0014563900000000 ] - [ -0.0021894800000000, 0.0001041300000000, 0.0015397200000000 ] - [ -0.0026179800000000, 0.0001019100000000, 0.0015671700000000 ] - [ 0.0024244200000000, -0.0003510100000000, -0.0013198100000000 ] - [ 0.0023908000000000, -0.0000065300000000, -0.0015299400000000 ] - [ 0.0023492300000000, -0.0003536900000000, -0.0017019300000000 ] - [ 0.0023860700000000, -0.0000050400000000, -0.0014976000000000 ] - [ 0.0023864100000000, 0.0004296200000000, -0.0015086400000000 ] - [ 0.0023881200000000, 0.0000503000000000, -0.0015142600000000 ] - [ 0.0030388100000000, 0.0022893800000000, -0.0054033500000000 ] - [ 0.0029883000000000, 0.0003327400000000, -0.0054301200000000 ] - [ 0.0034075500000000, -0.0000589500000000, -0.0055631800000000 ] - [ 0.0028493300000000, -0.0001081800000000, -0.0054020700000000 ] - [ 0.0025637800000000, -0.0000712200000000, -0.0052956400000000 ] - [ 0.0031302500000000, -0.0001048700000000, -0.0054574400000000 ] - [ -0.0031765200000000, 0.0004477500000000, 0.0054171200000000 ] - [ -0.0029553700000000, 0.0000018700000000, 0.0054550300000000 ] - [ -0.0027921100000000, 0.0004585300000000, 0.0054411700000000 ] - [ -0.0030257700000000, 0.0000008700000000, 0.0054085700000000 ] - [ -0.0029841100000000, -0.0007931300000000, 0.0054299300000000 ] - [ -0.0029884300000000, 0.0000019500000000, 0.0054281800000000 ] - [ 0.0029371000000000, 0.0031664600000000, 0.0054652400000000 ] - [ 0.0029848700000000, 0.0001613400000000, 0.0054320800000000 ] - [ 0.0025954300000000, -0.0000977100000000, 0.0051786400000000 ] - [ 0.0031128700000000, -0.0000545200000000, 0.0054301500000000 ] - [ 0.0033872600000000, -0.0001157000000000, 0.0056923500000000 ] - [ 0.0028630900000000, -0.0000543200000000, 0.0054343300000000 ] - [ -0.0030484000000000, 0.0000522800000000, -0.0054156700000000 ] - [ -0.0027857000000000, 0.0004921700000000, -0.0053503600000000 ] - [ -0.0029343500000000, 0.0000561300000000, -0.0054513200000000 ] - [ -0.0031880500000000, 0.0004908900000000, -0.0055239600000000 ] - [ -0.0029917200000000, -0.0000908600000000, -0.0054328100000000 ] - [ -0.0029886200000000, -0.0010624500000000, -0.0054389100000000 ] - [ 0.0012581600000000, 0.0003835100000000, -0.0009751200000000 ] - [ 0.0012597400000000, 0.0004484600000000, -0.0009787700000000 ] - [ 0.0014527900000000, -0.0003132700000000, -0.0011316900000000 ] - [ 0.0008291800000000, -0.0003909900000000, -0.0010199900000000 ] - [ 0.0010693200000000, -0.0003141000000000, -0.0008241300000000 ] - [ 0.0016869100000000, -0.0003928500000000, -0.0009363400000000 ] - [ -0.0014619100000000, 0.0014441900000000, -0.0027639800000000 ] - [ -0.0012862200000000, 0.0000279600000000, 0.0010376100000000 ] - [ -0.0010481300000000, 0.0015098600000000, 0.0048670600000000 ] - [ -0.0012384900000000, 0.0000241600000000, 0.0009229200000000 ] - [ -0.0012599000000000, -0.0017314500000000, 0.0009789600000000 ] - [ -0.0012624300000000, -0.0000402700000000, 0.0009796600000000 ] - [ 0.0012595500000000, 0.0014652400000000, 0.0009697200000000 ] - [ 0.0012603900000000, 0.0000104900000000, 0.0009788600000000 ] - [ 0.0013396000000000, -0.0009276200000000, 0.0016149700000000 ] - [ 0.0012659600000000, 0.0000074100000000, 0.0009532800000000 ] - [ 0.0011830800000000, -0.0009372500000000, 0.0003359000000000 ] - [ 0.0012549700000000, 0.0000077200000000, 0.0010074100000000 ] - [ -0.0019684700000000, 0.0002467600000000, -0.0012750800000000 ] - [ -0.0010461000000000, 0.0001109000000000, -0.0011013400000000 ] - [ -0.0005501900000000, 0.0002515500000000, -0.0006852900000000 ] - [ -0.0014763500000000, 0.0001158700000000, -0.0008691200000000 ] - [ -0.0012597700000000, -0.0002816000000000, -0.0009798700000000 ] - [ -0.0012613500000000, -0.0002201700000000, -0.0009835300000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0003380300000000, -0.0000827500000000, 0.0004023200000000 ] - [ -0.0001618300000000, -0.0000965900000000, 0.0003980600000000 ] - [ 0.0003380300000000, 0.0000827500000000, 0.0004023200000000 ] - [ -0.0001618300000000, 0.0000965900000000, 0.0003980600000000 ] - [ 0.0001617000000000, 0.0000000000000000, 0.0001915600000000 ] - [ -0.0000136200000000, 0.0000000000000000, 0.0002151600000000 ] - [ -0.0001609100000000, 0.0000000000000000, -0.0001039400000000 ] - [ -0.0001008100000000, 0.0000000000000000, -0.0001366400000000 ] - [ -0.0000715800000000, 0.0001740400000000, -0.0004361400000000 ] - [ -0.0001049900000000, -0.0000083900000000, -0.0001614200000000 ] - [ -0.0000715800000000, -0.0001740400000000, -0.0004361400000000 ] - [ -0.0001049900000000, 0.0000083900000000, -0.0001614200000000 ] - [ -0.0002190600000000, 0.0088257000000000, 0.0085632200000000 ] - [ 0.0001080400000000, 0.0000076200000000, -0.0001200800000000 ] - [ -0.0002190600000000, -0.0088257000000000, 0.0085632200000000 ] - [ 0.0001080400000000, -0.0000076200000000, -0.0001200800000000 ] - [ 0.0001119200000000, 0.0000000000000000, 0.0000082000000000 ] - [ 0.0001081700000000, 0.0000000000000000, -0.0001342100000000 ] - [ -0.0001701600000000, 0.0000000000000000, 0.0001608000000000 ] - [ -0.0000481300000000, 0.0000000000000000, 0.0001018700000000 ] - [ -0.0002088700000000, -0.0000371300000000, 0.0001152200000000 ] - [ -0.0000238700000000, 0.0000038900000000, 0.0000803700000000 ] - [ -0.0002088700000000, 0.0000371300000000, 0.0001152200000000 ] - [ -0.0000238700000000, -0.0000038900000000, 0.0000803700000000 ] - [ 0.0021792300000000, 0.0000000000000000, 0.0097720600000000 ] - [ 0.0014965300000000, 0.0000000000000000, 0.0092068300000000 ] - [ 0.0028946600000000, 0.0018984800000000, 0.0111649700000000 ] - [ 0.0014982000000000, -0.0000025300000000, 0.0092470500000000 ] - [ 0.0028946600000000, -0.0018984800000000, 0.0111649700000000 ] - [ 0.0014982000000000, 0.0000025300000000, 0.0092470500000000 ] - [ -0.0015056000000000, 0.0000061100000000, -0.0092515000000000 ] - [ -0.0007154400000000, -0.0003261500000000, -0.0099308100000000 ] - [ -0.0015056000000000, -0.0000061100000000, -0.0092515000000000 ] - [ -0.0007154400000000, 0.0003261500000000, -0.0099308100000000 ] - [ -0.0014274500000000, 0.0000000000000000, -0.0092922500000000 ] - [ -0.0014459700000000, 0.0000000000000000, -0.0095752800000000 ] - [ 0.0011755000000000, 0.0000000000000000, -0.0086069600000000 ] - [ 0.0015113500000000, 0.0000000000000000, -0.0091176100000000 ] - [ 0.0014198000000000, -0.0002080800000000, -0.0084502400000000 ] - [ 0.0015648200000000, -0.0000903800000000, -0.0090580900000000 ] - [ 0.0014198000000000, 0.0002080800000000, -0.0084502400000000 ] - [ 0.0015648200000000, 0.0000903800000000, -0.0090580900000000 ] - [ 0.0024581600000000, 0.0028447900000000, 0.0129546300000000 ] - [ -0.0014705000000000, 0.0000917000000000, 0.0092227700000000 ] - [ 0.0024581600000000, -0.0028447900000000, 0.0129546300000000 ] - [ -0.0014705000000000, -0.0000917000000000, 0.0092227700000000 ] - [ -0.0017249600000000, 0.0000000000000000, 0.0089274100000000 ] - [ -0.0014056700000000, 0.0000000000000000, 0.0091733400000000 ] - [ -0.0065071100000000, 0.0034762300000000, 0.0039481800000000 ] - [ -0.0029538000000000, 0.0000764100000000, 0.0003177000000000 ] - [ -0.0065071100000000, -0.0034762300000000, 0.0039481800000000 ] - [ -0.0029538000000000, -0.0000764100000000, 0.0003177000000000 ] - [ -0.0028689800000000, 0.0000000000000000, -0.0000373000000000 ] - [ -0.0029949300000000, 0.0000000000000000, 0.0002925500000000 ] - [ 0.0031697000000000, 0.0000000000000000, -0.0000266000000000 ] - [ 0.0032313300000000, 0.0000000000000000, 0.0001134400000000 ] - [ 0.0031262400000000, -0.0002040700000000, -0.0000333300000000 ] - [ 0.0031917000000000, -0.0002390700000000, 0.0003888800000000 ] - [ 0.0031262400000000, 0.0002040700000000, -0.0000333300000000 ] - [ 0.0031917000000000, 0.0002390700000000, 0.0003888800000000 ] - [ -0.0036994100000000, -0.0002033700000000, -0.0008985700000000 ] - [ -0.0028734300000000, 0.0000159200000000, -0.0004191900000000 ] - [ -0.0036994100000000, 0.0002033700000000, -0.0008985700000000 ] - [ -0.0028734300000000, -0.0000159200000000, -0.0004191900000000 ] - [ -0.0030370000000000, 0.0000000000000000, -0.0004628600000000 ] - [ -0.0029765700000000, 0.0000000000000000, -0.0004303000000000 ] - [ 0.0019452900000000, 0.0000000000000000, 0.0023883800000000 ] - [ 0.0031140800000000, 0.0000000000000000, 0.0002244500000000 ] - [ 0.0020580300000000, 0.0012842300000000, 0.0016109800000000 ] - [ 0.0031151200000000, 0.0000060200000000, 0.0002438500000000 ] - [ 0.0020580300000000, -0.0012842300000000, 0.0016109800000000 ] - [ 0.0031151200000000, -0.0000060200000000, 0.0002438500000000 ] - [ -0.0027521200000000, 0.0000000000000000, -0.0598972600000000 ] - [ -0.0023387000000000, 0.0000000000000000, -0.0017459700000000 ] - [ -0.0026315500000000, -0.0000761500000000, -0.0027065000000000 ] - [ -0.0023242200000000, -0.0000063400000000, -0.0015487700000000 ] - [ -0.0026315500000000, 0.0000761500000000, -0.0027065000000000 ] - [ -0.0023242200000000, 0.0000063400000000, -0.0015487700000000 ] - [ 0.0022348400000000, 0.0000308000000000, 0.0015728600000000 ] - [ 0.0026067200000000, 0.0000270300000000, 0.0016200100000000 ] - [ 0.0022348400000000, -0.0000308000000000, 0.0015728600000000 ] - [ 0.0026067200000000, -0.0000270300000000, 0.0016200100000000 ] - [ 0.0020565100000000, 0.0000000000000000, 0.0017243900000000 ] - [ 0.0030136300000000, 0.0000000000000000, 0.0017599300000000 ] - [ -0.0006242800000000, 0.0000000000000000, 0.0023889600000000 ] - [ -0.0044862900000000, 0.0000000000000000, 0.0023856500000000 ] - [ -0.0022156800000000, -0.0000541500000000, 0.0013241100000000 ] - [ -0.0025353600000000, -0.0000259600000000, 0.0013233200000000 ] - [ -0.0022156800000000, 0.0000541500000000, 0.0013241100000000 ] - [ -0.0025353600000000, 0.0000259600000000, 0.0013233200000000 ] - [ 0.0023372000000000, -0.0001955200000000, -0.0011780800000000 ] - [ 0.0024581400000000, 0.0000197000000000, -0.0014931300000000 ] - [ 0.0023372000000000, 0.0001955200000000, -0.0011780800000000 ] - [ 0.0024581400000000, -0.0000197000000000, -0.0014931300000000 ] - [ 0.0022045500000000, 0.0000000000000000, -0.0007383800000000 ] - [ 0.0024747600000000, 0.0000000000000000, -0.0014951800000000 ] - [ 0.0099867500000000, 0.0000000000000000, -0.0004644600000000 ] - [ 0.0032880400000000, 0.0000000000000000, -0.0050687300000000 ] - [ 0.0029487000000000, 0.0004421300000000, -0.0042839800000000 ] - [ 0.0029963600000000, -0.0000228500000000, -0.0053264800000000 ] - [ 0.0029487000000000, -0.0004421300000000, -0.0042839800000000 ] - [ 0.0029963600000000, 0.0000228500000000, -0.0053264800000000 ] - [ -0.0024388600000000, 0.0002465000000000, 0.0046415500000000 ] - [ -0.0031694900000000, -0.0000174400000000, 0.0053974000000000 ] - [ -0.0024388600000000, -0.0002465000000000, 0.0046415500000000 ] - [ -0.0031694900000000, 0.0000174400000000, 0.0053974000000000 ] - [ -0.0025716400000000, 0.0000000000000000, 0.0041758500000000 ] - [ -0.0033039200000000, 0.0000000000000000, 0.0054001800000000 ] - [ -0.0045176100000000, 0.0000000000000000, 0.0124962400000000 ] - [ 0.0024726100000000, 0.0000000000000000, 0.0057118500000000 ] - [ 0.0034184200000000, 0.0005769600000000, 0.0069636200000000 ] - [ 0.0028481700000000, 0.0000122000000000, 0.0054787000000000 ] - [ 0.0034184200000000, -0.0005769600000000, 0.0069636200000000 ] - [ 0.0028481700000000, -0.0000122000000000, 0.0054787000000000 ] - [ -0.0029985200000000, -0.0000241800000000, -0.0055719100000000 ] - [ -0.0032649600000000, -0.0002387700000000, -0.0061977500000000 ] - [ -0.0029985200000000, 0.0000241800000000, -0.0055719100000000 ] - [ -0.0032649600000000, 0.0002387700000000, -0.0061977500000000 ] - [ -0.0028849700000000, 0.0000000000000000, -0.0055694400000000 ] - [ -0.0032431000000000, 0.0000000000000000, -0.0070203400000000 ] - [ 0.0013834500000000, 0.0000000000000000, -0.0008647000000000 ] - [ 0.0009542200000000, 0.0000000000000000, -0.0007400500000000 ] - [ 0.0013685500000000, -0.0000337000000000, -0.0009193800000000 ] - [ 0.0008276100000000, -0.0000104700000000, -0.0006659300000000 ] - [ 0.0013685500000000, 0.0000337000000000, -0.0009193800000000 ] - [ 0.0008276100000000, 0.0000104700000000, -0.0006659300000000 ] - [ -0.0007821100000000, -0.0018577600000000, 0.0047350900000000 ] - [ -0.0013548400000000, -0.0000190200000000, 0.0009755200000000 ] - [ -0.0007821100000000, 0.0018577600000000, 0.0047350900000000 ] - [ -0.0013548400000000, 0.0000190200000000, 0.0009755200000000 ] - [ -0.0010460200000000, 0.0000000000000000, 0.0019997300000000 ] - [ -0.0013520800000000, 0.0000000000000000, 0.0009919900000000 ] - [ 0.0011737600000000, 0.0000000000000000, -0.0001602800000000 ] - [ 0.0011797600000000, 0.0000000000000000, 0.0009055600000000 ] - [ 0.0011598400000000, 0.0010700200000000, -0.0002776400000000 ] - [ 0.0011663900000000, 0.0000607100000000, 0.0008881600000000 ] - [ 0.0011598400000000, -0.0010700200000000, -0.0002776400000000 ] - [ 0.0011663900000000, -0.0000607100000000, 0.0008881600000000 ] - [ -0.0020004600000000, 0.0000248300000000, -0.0016775700000000 ] - [ -0.0010875100000000, -0.0001914100000000, -0.0014431100000000 ] - [ -0.0020004600000000, -0.0000248300000000, -0.0016775700000000 ] - [ -0.0010875100000000, 0.0001914100000000, -0.0014431100000000 ] - [ -0.0012223700000000, 0.0000000000000000, -0.0010363000000000 ] - [ -0.0013239700000000, 0.0000000000000000, -0.0010492200000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001112900000000, 0.0000826100000000, -0.0001087500000000 ] - [ 0.0003860000000000, 0.0000978400000000, -0.0001054500000000 ] - [ -0.0001112900000000, -0.0000826100000000, -0.0001087500000000 ] - [ 0.0003860000000000, -0.0000978400000000, -0.0001054500000000 ] - [ 0.0000574100000000, 0.0000000000000000, 0.0000760900000000 ] - [ 0.0002355900000000, 0.0000000000000000, 0.0000584100000000 ] - [ -0.0000663700000000, 0.0000000000000000, -0.0002006400000000 ] - [ -0.0001167700000000, 0.0000000000000000, -0.0001355300000000 ] - [ -0.0001551500000000, -0.0001701200000000, 0.0001522400000000 ] - [ -0.0001160600000000, 0.0000089800000000, -0.0001102800000000 ] - [ -0.0001551500000000, 0.0001701200000000, 0.0001522400000000 ] - [ -0.0001160600000000, -0.0000089800000000, -0.0001102800000000 ] - [ 0.0004519300000000, -0.0093483400000000, -0.0091045900000000 ] - [ 0.0001114000000000, -0.0000077300000000, -0.0001577700000000 ] - [ 0.0004519300000000, 0.0093483400000000, -0.0091045900000000 ] - [ 0.0001114000000000, 0.0000077300000000, -0.0001577700000000 ] - [ 0.0000999900000000, 0.0000000000000000, -0.0002863100000000 ] - [ 0.0001122500000000, 0.0000000000000000, -0.0001362100000000 ] - [ -0.0000563000000000, 0.0000000000000000, 0.0001366500000000 ] - [ -0.0001747300000000, 0.0000000000000000, 0.0001729600000000 ] - [ -0.0000149400000000, 0.0000368800000000, 0.0001739900000000 ] - [ -0.0001988400000000, -0.0000055700000000, 0.0001937000000000 ] - [ -0.0000149400000000, -0.0000368800000000, 0.0001739900000000 ] - [ -0.0001988400000000, 0.0000055700000000, 0.0001937000000000 ] - [ 0.0007836400000000, 0.0000000000000000, 0.0085978900000000 ] - [ 0.0014400900000000, 0.0000000000000000, 0.0091459800000000 ] - [ 0.0000575200000000, -0.0018760800000000, 0.0072128800000000 ] - [ 0.0014428000000000, 0.0000022600000000, 0.0091002700000000 ] - [ 0.0000575200000000, 0.0018760800000000, 0.0072128800000000 ] - [ 0.0014428000000000, -0.0000022600000000, 0.0091002700000000 ] - [ -0.0014264700000000, -0.0000057600000000, -0.0091027900000000 ] - [ -0.0022268200000000, 0.0003300800000000, -0.0084357500000000 ] - [ -0.0014264700000000, 0.0000057600000000, -0.0091027900000000 ] - [ -0.0022268200000000, -0.0003300800000000, -0.0084357500000000 ] - [ -0.0015059600000000, 0.0000000000000000, -0.0090613400000000 ] - [ -0.0014943500000000, 0.0000000000000000, -0.0087827600000000 ] - [ 0.0017604400000000, 0.0000000000000000, -0.0097379400000000 ] - [ 0.0014387700000000, 0.0000000000000000, -0.0092259700000000 ] - [ 0.0015097800000000, 0.0002057600000000, -0.0098994200000000 ] - [ 0.0013777000000000, 0.0000907300000000, -0.0092918100000000 ] - [ 0.0015097800000000, -0.0002057600000000, -0.0098994200000000 ] - [ 0.0013777000000000, -0.0000907300000000, -0.0092918100000000 ] - [ -0.0054483500000000, -0.0028664400000000, 0.0053674700000000 ] - [ -0.0014627900000000, -0.0000906500000000, 0.0091319300000000 ] - [ -0.0054483500000000, 0.0028664400000000, 0.0053674700000000 ] - [ -0.0014627900000000, 0.0000906500000000, 0.0091319300000000 ] - [ -0.0012130400000000, 0.0000000000000000, 0.0094265600000000 ] - [ -0.0015289700000000, 0.0000000000000000, 0.0091791200000000 ] - [ 0.0004855000000000, -0.0035076700000000, -0.0034950600000000 ] - [ -0.0031217000000000, -0.0000755100000000, 0.0001760800000000 ] - [ 0.0004855000000000, 0.0035076700000000, -0.0034950600000000 ] - [ -0.0031217000000000, 0.0000755100000000, 0.0001760800000000 ] - [ -0.0032029400000000, 0.0000000000000000, 0.0005304400000000 ] - [ -0.0030809000000000, 0.0000000000000000, 0.0001996600000000 ] - [ 0.0029055200000000, 0.0000000000000000, -0.0004644400000000 ] - [ 0.0028324700000000, 0.0000000000000000, -0.0005916700000000 ] - [ 0.0029508600000000, 0.0002038200000000, -0.0004609700000000 ] - [ 0.0028851200000000, 0.0002355100000000, -0.0008719300000000 ] - [ 0.0029508600000000, -0.0002038200000000, -0.0004609700000000 ] - [ 0.0028851200000000, -0.0002355100000000, -0.0008719300000000 ] - [ -0.0023721400000000, 0.0002058600000000, 0.0003945200000000 ] - [ -0.0032022400000000, -0.0000138000000000, -0.0000736700000000 ] - [ -0.0023721400000000, -0.0002058600000000, 0.0003945200000000 ] - [ -0.0032022400000000, 0.0000138000000000, -0.0000736700000000 ] - [ -0.0030356500000000, 0.0000000000000000, -0.0000335900000000 ] - [ -0.0030983900000000, 0.0000000000000000, -0.0000618100000000 ] - [ 0.0040989500000000, 0.0000000000000000, -0.0018567800000000 ] - [ 0.0029609300000000, 0.0000000000000000, 0.0002671500000000 ] - [ 0.0040097900000000, -0.0012701600000000, -0.0011024800000000 ] - [ 0.0029554100000000, -0.0000057800000000, 0.0002438100000000 ] - [ 0.0040097900000000, 0.0012701600000000, -0.0011024800000000 ] - [ 0.0029554100000000, 0.0000057800000000, 0.0002438100000000 ] - [ -0.0021904000000000, 0.0000000000000000, 0.0570684700000000 ] - [ -0.0024358100000000, 0.0000000000000000, -0.0012827600000000 ] - [ -0.0021453800000000, 0.0000503200000000, -0.0003203800000000 ] - [ -0.0024489500000000, 0.0000044200000000, -0.0014766000000000 ] - [ -0.0021453800000000, -0.0000503200000000, -0.0003203800000000 ] - [ -0.0024489500000000, -0.0000044200000000, -0.0014766000000000 ] - [ 0.0025394200000000, -0.0000330400000000, 0.0014503800000000 ] - [ 0.0021712000000000, -0.0000349600000000, 0.0013901500000000 ] - [ 0.0025394200000000, 0.0000330400000000, 0.0014503800000000 ] - [ 0.0021712000000000, 0.0000349600000000, 0.0013901500000000 ] - [ 0.0027151700000000, 0.0000000000000000, 0.0013001600000000 ] - [ 0.0017685300000000, 0.0000000000000000, 0.0012546800000000 ] - [ -0.0041220800000000, 0.0000000000000000, 0.0006370200000000 ] - [ -0.0003052500000000, 0.0000000000000000, 0.0006315800000000 ] - [ -0.0025580400000000, 0.0000555200000000, 0.0016992800000000 ] - [ -0.0022407000000000, 0.0000272500000000, 0.0016979600000000 ] - [ -0.0025580400000000, -0.0000555200000000, 0.0016992800000000 ] - [ -0.0022407000000000, -0.0000272500000000, 0.0016979600000000 ] - [ 0.0024367400000000, 0.0001869600000000, -0.0018342000000000 ] - [ 0.0023168700000000, -0.0000157700000000, -0.0015253800000000 ] - [ 0.0024367400000000, -0.0001869600000000, -0.0018342000000000 ] - [ 0.0023168700000000, 0.0000157700000000, -0.0015253800000000 ] - [ 0.0025681000000000, 0.0000000000000000, -0.0022827500000000 ] - [ 0.0022989400000000, 0.0000000000000000, -0.0015203300000000 ] - [ -0.0041621400000000, 0.0000000000000000, -0.0103194200000000 ] - [ 0.0026902300000000, 0.0000000000000000, -0.0057955000000000 ] - [ 0.0030070900000000, -0.0004374200000000, -0.0065829400000000 ] - [ 0.0029782400000000, 0.0000221800000000, -0.0055378400000000 ] - [ 0.0030070900000000, 0.0004374200000000, -0.0065829400000000 ] - [ 0.0029782400000000, -0.0000221800000000, -0.0055378400000000 ] - [ -0.0035326200000000, -0.0002471200000000, 0.0062116200000000 ] - [ -0.0028052200000000, 0.0000166100000000, 0.0054643300000000 ] - [ -0.0035326200000000, 0.0002471200000000, 0.0062116200000000 ] - [ -0.0028052200000000, -0.0000166100000000, 0.0054643300000000 ] - [ -0.0033957100000000, 0.0000000000000000, 0.0066771300000000 ] - [ -0.0026728700000000, 0.0000000000000000, 0.0054604500000000 ] - [ 0.0107073800000000, 0.0000000000000000, -0.0015815200000000 ] - [ 0.0034919500000000, 0.0000000000000000, 0.0051499200000000 ] - [ 0.0025750700000000, -0.0005750000000000, 0.0038921200000000 ] - [ 0.0031235100000000, -0.0000117200000000, 0.0053824500000000 ] - [ 0.0025750700000000, 0.0005750000000000, 0.0038921200000000 ] - [ 0.0031235100000000, 0.0000117200000000, 0.0053824500000000 ] - [ -0.0029688500000000, 0.0000246700000000, -0.0052906900000000 ] - [ -0.0027130600000000, 0.0002334300000000, -0.0046727600000000 ] - [ -0.0029688500000000, -0.0000246700000000, -0.0052906900000000 ] - [ -0.0027130600000000, -0.0002334300000000, -0.0046727600000000 ] - [ -0.0030822200000000, 0.0000000000000000, -0.0052918200000000 ] - [ -0.0027390300000000, 0.0000000000000000, -0.0038570600000000 ] - [ 0.0011421000000000, 0.0000000000000000, -0.0010565500000000 ] - [ 0.0015762400000000, 0.0000000000000000, -0.0011835900000000 ] - [ 0.0011597400000000, 0.0000365700000000, -0.0010045500000000 ] - [ 0.0017010100000000, 0.0000147700000000, -0.0012550200000000 ] - [ 0.0011597400000000, -0.0000365700000000, -0.0010045500000000 ] - [ 0.0017010100000000, -0.0000147700000000, -0.0012550200000000 ] - [ -0.0017202300000000, 0.0017157500000000, -0.0026597100000000 ] - [ -0.0011771300000000, 0.0000213000000000, 0.0009469400000000 ] - [ -0.0017202300000000, -0.0017157500000000, -0.0026597100000000 ] - [ -0.0011771300000000, -0.0000213000000000, 0.0009469400000000 ] - [ -0.0014791200000000, 0.0000000000000000, -0.0000417200000000 ] - [ -0.0011793400000000, 0.0000000000000000, 0.0009291700000000 ] - [ 0.0013547200000000, 0.0000000000000000, 0.0020604300000000 ] - [ 0.0013479700000000, 0.0000000000000000, 0.0010190500000000 ] - [ 0.0013713400000000, -0.0010622200000000, 0.0021934500000000 ] - [ 0.0013625600000000, -0.0000610100000000, 0.0010366900000000 ] - [ 0.0013713400000000, 0.0010622200000000, 0.0021934500000000 ] - [ 0.0013625600000000, 0.0000610100000000, 0.0010366900000000 ] - [ -0.0005226300000000, -0.0000302400000000, -0.0002553300000000 ] - [ -0.0014460700000000, 0.0001890700000000, -0.0004858200000000 ] - [ -0.0005226300000000, 0.0000302400000000, -0.0002553300000000 ] - [ -0.0014460700000000, -0.0001890700000000, -0.0004858200000000 ] - [ -0.0013033200000000, 0.0000000000000000, -0.0008945200000000 ] - [ -0.0012075600000000, 0.0000000000000000, -0.0008771500000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0027201100000000, 0.0024331800000000, -0.0011612100000000 ] - [ 0.0001805200000000, 0.0000677600000000, 0.0000482300000000 ] - [ 0.0027201100000000, -0.0024331800000000, -0.0011612100000000 ] - [ 0.0001805200000000, -0.0000677600000000, 0.0000482300000000 ] - [ 0.0002013700000000, 0.0000000000000000, -0.0002449000000000 ] - [ 0.0001003800000000, 0.0000000000000000, 0.0001517800000000 ] - [ -0.0001416300000000, 0.0000000000000000, -0.0001917600000000 ] - [ -0.0000159500000000, 0.0000000000000000, -0.0001750600000000 ] - [ -0.0001988300000000, 0.0000129400000000, -0.0001024400000000 ] - [ -0.0000771500000000, 0.0000202400000000, -0.0001404800000000 ] - [ -0.0001988300000000, -0.0000129400000000, -0.0001024400000000 ] - [ -0.0000771500000000, -0.0000202400000000, -0.0001404800000000 ] - [ 0.0007123000000000, -0.0014440700000000, -0.0016981300000000 ] - [ 0.0001678000000000, -0.0000728700000000, -0.0001579800000000 ] - [ 0.0007123000000000, 0.0014440700000000, -0.0016981300000000 ] - [ 0.0001678000000000, 0.0000728700000000, -0.0001579800000000 ] - [ 0.0001225100000000, 0.0000000000000000, -0.0005809400000000 ] - [ 0.0001217000000000, 0.0000000000000000, -0.0000984200000000 ] - [ -0.0002748300000000, 0.0000000000000000, -0.0000045400000000 ] - [ -0.0000274400000000, 0.0000000000000000, 0.0002046100000000 ] - [ -0.0002092800000000, -0.0000495300000000, 0.0001199900000000 ] - [ -0.0000551900000000, -0.0000503900000000, 0.0002315700000000 ] - [ -0.0002092800000000, 0.0000495300000000, 0.0001199900000000 ] - [ -0.0000551900000000, 0.0000503900000000, 0.0002315700000000 ] - [ 0.0011086400000000, 0.0000000000000000, 0.0085813800000000 ] - [ 0.0009808800000000, 0.0000000000000000, 0.0093978900000000 ] - [ 0.0008436700000000, -0.0006700000000000, 0.0082645600000000 ] - [ 0.0012197500000000, 0.0000566600000000, 0.0092036200000000 ] - [ 0.0008436700000000, 0.0006700000000000, 0.0082645600000000 ] - [ 0.0012197500000000, -0.0000566600000000, 0.0092036200000000 ] - [ -0.0022213000000000, -0.0004610100000000, -0.0083085300000000 ] - [ -0.0026204600000000, 0.0008020500000000, -0.0096847000000000 ] - [ -0.0022213000000000, 0.0004610100000000, -0.0083085300000000 ] - [ -0.0026204600000000, -0.0008020500000000, -0.0096847000000000 ] - [ -0.0014068300000000, 0.0000000000000000, -0.0091412800000000 ] - [ -0.0018450600000000, 0.0000000000000000, -0.0093205300000000 ] - [ 0.0028266500000000, 0.0000000000000000, -0.0093696300000000 ] - [ 0.0008937400000000, 0.0000000000000000, -0.0090389500000000 ] - [ 0.0029379900000000, 0.0002643600000000, -0.0096632900000000 ] - [ 0.0008672400000000, 0.0000038100000000, -0.0090469000000000 ] - [ 0.0029379900000000, -0.0002643600000000, -0.0096632900000000 ] - [ 0.0008672400000000, -0.0000038100000000, -0.0090469000000000 ] - [ 0.0021494900000000, -0.0024884400000000, 0.0065285500000000 ] - [ -0.0022615000000000, 0.0000302000000000, 0.0092879500000000 ] - [ 0.0021494900000000, 0.0024884400000000, 0.0065285500000000 ] - [ -0.0022615000000000, -0.0000302000000000, 0.0092879500000000 ] - [ -0.0004014700000000, 0.0000000000000000, 0.0085389800000000 ] - [ -0.0021201900000000, 0.0000000000000000, 0.0093740900000000 ] - [ -0.0032610200000000, 0.0006739500000000, 0.0012546000000000 ] - [ -0.0041977500000000, -0.0007171700000000, -0.0003673100000000 ] - [ -0.0032610200000000, -0.0006739500000000, 0.0012546000000000 ] - [ -0.0041977500000000, 0.0007171700000000, -0.0003673100000000 ] - [ -0.0027678900000000, 0.0000000000000000, 0.0003999500000000 ] - [ -0.0035080100000000, 0.0000000000000000, -0.0000699100000000 ] - [ 0.0031553800000000, 0.0000000000000000, -0.0003822000000000 ] - [ 0.0025926300000000, 0.0000000000000000, -0.0003562800000000 ] - [ 0.0028516900000000, 0.0002962500000000, -0.0005430900000000 ] - [ 0.0026729300000000, 0.0000408200000000, -0.0005085000000000 ] - [ 0.0028516900000000, -0.0002962500000000, -0.0005430900000000 ] - [ 0.0026729300000000, -0.0000408200000000, -0.0005085000000000 ] - [ -0.0000740000000000, 0.0028390900000000, -0.0038229300000000 ] - [ -0.0037286100000000, -0.0000148900000000, 0.0000569700000000 ] - [ -0.0000740000000000, -0.0028390900000000, -0.0038229300000000 ] - [ -0.0037286100000000, 0.0000148900000000, 0.0000569700000000 ] - [ -0.0023729800000000, 0.0000000000000000, -0.0008645400000000 ] - [ -0.0035705300000000, 0.0000000000000000, 0.0000963100000000 ] - [ 0.0040667900000000, 0.0000000000000000, -0.0005402900000000 ] - [ 0.0025084100000000, 0.0000000000000000, 0.0006096300000000 ] - [ 0.0041590700000000, -0.0003861500000000, -0.0004716800000000 ] - [ 0.0025701600000000, 0.0001080400000000, 0.0005430700000000 ] - [ 0.0041590700000000, 0.0003861500000000, -0.0004716800000000 ] - [ 0.0025701600000000, -0.0001080400000000, 0.0005430700000000 ] - [ 0.0208977400000000, 0.0000000000000000, 0.0058227700000000 ] - [ -0.0046056200000000, 0.0000000000000000, -0.0012017500000000 ] - [ -0.0014526300000000, -0.0004223900000000, -0.0015263000000000 ] - [ -0.0030152000000000, 0.0001440200000000, -0.0014905800000000 ] - [ -0.0014526300000000, 0.0004223900000000, -0.0015263000000000 ] - [ -0.0030152000000000, -0.0001440200000000, -0.0014905800000000 ] - [ 0.0028099200000000, -0.0001948300000000, 0.0020486900000000 ] - [ 0.0018905600000000, 0.0000372800000000, 0.0013140700000000 ] - [ 0.0028099200000000, 0.0001948300000000, 0.0020486900000000 ] - [ 0.0018905600000000, -0.0000372800000000, 0.0013140700000000 ] - [ 0.0029577000000000, 0.0000000000000000, 0.0019136600000000 ] - [ 0.0017645700000000, 0.0000000000000000, 0.0011817900000000 ] - [ 0.0196935000000000, 0.0000000000000000, 0.0088497800000000 ] - [ -0.0045932300000000, 0.0000000000000000, 0.0020074200000000 ] - [ -0.0014033600000000, 0.0003940900000000, 0.0010767700000000 ] - [ -0.0029857000000000, -0.0001232600000000, 0.0016371800000000 ] - [ -0.0014033600000000, -0.0003940900000000, 0.0010767700000000 ] - [ -0.0029857000000000, 0.0001232600000000, 0.0016371800000000 ] - [ 0.0027999500000000, 0.0002009400000000, -0.0012244500000000 ] - [ 0.0019766400000000, -0.0000569000000000, -0.0014806700000000 ] - [ 0.0027999500000000, -0.0002009400000000, -0.0012244500000000 ] - [ 0.0019766400000000, 0.0000569000000000, -0.0014806700000000 ] - [ 0.0029499900000000, 0.0000000000000000, -0.0012490200000000 ] - [ 0.0020044000000000, 0.0000000000000000, -0.0015944500000000 ] - [ -0.0705660000000000, 0.0000000000000000, -0.0081798700000000 ] - [ 0.0047725600000000, 0.0000000000000000, -0.0055273000000000 ] - [ -0.0007087800000000, -0.0002096000000000, -0.0020798500000000 ] - [ 0.0039827300000000, 0.0000354100000000, -0.0057090500000000 ] - [ -0.0007087800000000, 0.0002096000000000, -0.0020798500000000 ] - [ 0.0039827300000000, -0.0000354100000000, -0.0057090500000000 ] - [ -0.0041938000000000, -0.0001841300000000, 0.0058909000000000 ] - [ -0.0021399800000000, 0.0000471000000000, 0.0051842300000000 ] - [ -0.0041938000000000, 0.0001841300000000, 0.0058909000000000 ] - [ -0.0021399800000000, -0.0000471000000000, 0.0051842300000000 ] - [ -0.0038508600000000, 0.0000000000000000, 0.0063097300000000 ] - [ -0.0020892300000000, 0.0000000000000000, 0.0052221000000000 ] - [ 0.0105610300000000, 0.0000000000000000, 0.0035021100000000 ] - [ 0.0105282400000000, 0.0000000000000000, 0.0041737300000000 ] - [ 0.0038145800000000, 0.0009046100000000, 0.0055633400000000 ] - [ 0.0038102600000000, -0.0008479600000000, 0.0056828400000000 ] - [ 0.0038145800000000, -0.0009046100000000, 0.0055633400000000 ] - [ 0.0038102600000000, 0.0008479600000000, 0.0056828400000000 ] - [ -0.0027195800000000, 0.0001515700000000, -0.0053749000000000 ] - [ -0.0027402000000000, -0.0000326700000000, -0.0050388800000000 ] - [ -0.0027195800000000, -0.0001515700000000, -0.0053749000000000 ] - [ -0.0027402000000000, 0.0000326700000000, -0.0050388800000000 ] - [ -0.0028948000000000, 0.0000000000000000, -0.0051608100000000 ] - [ -0.0029143300000000, 0.0000000000000000, -0.0047323500000000 ] - [ 0.0032252400000000, 0.0000000000000000, -0.0047378600000000 ] - [ 0.0021646300000000, 0.0000000000000000, -0.0006842500000000 ] - [ 0.0016692400000000, -0.0013495100000000, -0.0022407800000000 ] - [ 0.0021470000000000, 0.0003237100000000, -0.0007370500000000 ] - [ 0.0016692400000000, 0.0013495100000000, -0.0022407800000000 ] - [ 0.0021470000000000, -0.0003237100000000, -0.0007370500000000 ] - [ -0.0015703600000000, -0.0037928500000000, 0.0048947600000000 ] - [ -0.0001206000000000, 0.0001619700000000, 0.0004657200000000 ] - [ -0.0015703600000000, 0.0037928500000000, 0.0048947600000000 ] - [ -0.0001206000000000, -0.0001619700000000, 0.0004657200000000 ] - [ -0.0016670300000000, 0.0000000000000000, 0.0016234900000000 ] - [ -0.0008364600000000, 0.0000000000000000, 0.0009110100000000 ] - [ 0.0020313000000000, 0.0000000000000000, -0.0026552000000000 ] - [ 0.0021747400000000, 0.0000000000000000, 0.0013174700000000 ] - [ 0.0010238100000000, 0.0013049100000000, -0.0002712900000000 ] - [ 0.0021605200000000, -0.0002867300000000, 0.0012957200000000 ] - [ 0.0010238100000000, -0.0013049100000000, -0.0002712900000000 ] - [ 0.0021605200000000, 0.0002867300000000, 0.0012957200000000 ] - [ -0.0043637200000000, 0.0035391000000000, 0.0019521100000000 ] - [ -0.0003556400000000, -0.0001526400000000, -0.0011361100000000 ] - [ -0.0043637200000000, -0.0035391000000000, 0.0019521100000000 ] - [ -0.0003556400000000, 0.0001526400000000, -0.0011361100000000 ] - [ -0.0022336900000000, 0.0000000000000000, -0.0002136800000000 ] - [ -0.0006272600000000, 0.0000000000000000, -0.0009905100000000 ]- atom: 97 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0025749400000000, -0.0025388800000000, 0.0014942700000000 ] - [ 0.0000569700000000, -0.0000680400000000, 0.0002532600000000 ] - [ -0.0025749400000000, 0.0025388800000000, 0.0014942700000000 ] - [ 0.0000569700000000, 0.0000680400000000, 0.0002532600000000 ] - [ 0.0000371500000000, 0.0000000000000000, 0.0005519900000000 ] - [ 0.0001381100000000, 0.0000000000000000, 0.0001545200000000 ] - [ -0.0000945300000000, 0.0000000000000000, -0.0001151100000000 ] - [ -0.0002190800000000, 0.0000000000000000, -0.0001269600000000 ] - [ -0.0000381500000000, -0.0000146700000000, -0.0001899300000000 ] - [ -0.0001614100000000, -0.0000191200000000, -0.0001674500000000 ] - [ -0.0000381500000000, 0.0000146700000000, -0.0001899300000000 ] - [ -0.0001614100000000, 0.0000191200000000, -0.0001674500000000 ] - [ -0.0004207900000000, 0.0013750800000000, 0.0013759800000000 ] - [ 0.0000690500000000, 0.0000722800000000, -0.0001441800000000 ] - [ -0.0004207900000000, -0.0013750800000000, 0.0013759800000000 ] - [ 0.0000690500000000, -0.0000722800000000, -0.0001441800000000 ] - [ 0.0001147800000000, 0.0000000000000000, 0.0002788400000000 ] - [ 0.0001155000000000, 0.0000000000000000, -0.0002007300000000 ] - [ 0.0000386300000000, 0.0000000000000000, 0.0003104700000000 ] - [ -0.0002086300000000, 0.0000000000000000, 0.0000964400000000 ] - [ -0.0000299400000000, 0.0000494100000000, 0.0001869400000000 ] - [ -0.0001822000000000, 0.0000488000000000, 0.0000705000000000 ] - [ -0.0000299400000000, -0.0000494100000000, 0.0001869400000000 ] - [ -0.0001822000000000, -0.0000488000000000, 0.0000705000000000 ] - [ 0.0018151500000000, 0.0000000000000000, 0.0097747800000000 ] - [ 0.0019397900000000, 0.0000000000000000, 0.0089622200000000 ] - [ 0.0020790400000000, 0.0006669400000000, 0.0100848300000000 ] - [ 0.0017011300000000, -0.0000563500000000, 0.0091539900000000 ] - [ 0.0020790400000000, -0.0006669400000000, 0.0100848300000000 ] - [ 0.0017011300000000, 0.0000563500000000, 0.0091539900000000 ] - [ -0.0007139100000000, 0.0004557600000000, -0.0100536200000000 ] - [ -0.0003028900000000, -0.0008030100000000, -0.0086740900000000 ] - [ -0.0007139100000000, -0.0004557600000000, -0.0100536200000000 ] - [ -0.0003028900000000, 0.0008030100000000, -0.0086740900000000 ] - [ -0.0015153300000000, 0.0000000000000000, -0.0092202100000000 ] - [ -0.0010788500000000, 0.0000000000000000, -0.0090378600000000 ] - [ 0.0000928600000000, 0.0000000000000000, -0.0089890100000000 ] - [ 0.0020275000000000, 0.0000000000000000, -0.0093180600000000 ] - [ -0.0000259900000000, -0.0002672500000000, -0.0086985700000000 ] - [ 0.0020550500000000, -0.0000038600000000, -0.0093100700000000 ] - [ -0.0000259900000000, 0.0002672500000000, -0.0086985700000000 ] - [ 0.0020550500000000, 0.0000038600000000, -0.0093100700000000 ] - [ -0.0050930400000000, 0.0025363300000000, 0.0118815300000000 ] - [ -0.0006636700000000, -0.0000292600000000, 0.0090685000000000 ] - [ -0.0050930400000000, -0.0025363300000000, 0.0118815300000000 ] - [ -0.0006636700000000, 0.0000292600000000, 0.0090685000000000 ] - [ -0.0025169700000000, 0.0000000000000000, 0.0098157800000000 ] - [ -0.0008015700000000, 0.0000000000000000, 0.0089835700000000 ] - [ -0.0028199400000000, -0.0006770600000000, -0.0007492200000000 ] - [ -0.0018923500000000, 0.0007156400000000, 0.0008660200000000 ] - [ -0.0028199400000000, 0.0006770600000000, -0.0007492200000000 ] - [ -0.0018923500000000, -0.0007156400000000, 0.0008660200000000 ] - [ -0.0033198800000000, 0.0000000000000000, 0.0001045200000000 ] - [ -0.0025857400000000, 0.0000000000000000, 0.0005698200000000 ] - [ 0.0029376100000000, 0.0000000000000000, -0.0001200600000000 ] - [ 0.0034962500000000, 0.0000000000000000, -0.0001448500000000 ] - [ 0.0032461600000000, -0.0002956900000000, 0.0000385300000000 ] - [ 0.0034163400000000, -0.0000412400000000, 0.0000072300000000 ] - [ 0.0032461600000000, 0.0002956900000000, 0.0000385300000000 ] - [ 0.0034163400000000, 0.0000412400000000, 0.0000072300000000 ] - [ -0.0060062100000000, -0.0028120500000000, 0.0032778700000000 ] - [ -0.0023627400000000, 0.0000163300000000, -0.0005575100000000 ] - [ -0.0060062100000000, 0.0028120500000000, 0.0032778700000000 ] - [ -0.0023627400000000, -0.0000163300000000, -0.0005575100000000 ] - [ -0.0037225100000000, 0.0000000000000000, 0.0003634900000000 ] - [ -0.0025216000000000, 0.0000000000000000, -0.0005967100000000 ] - [ 0.0020267500000000, 0.0000000000000000, 0.0010340700000000 ] - [ 0.0035734400000000, 0.0000000000000000, -0.0001086600000000 ] - [ 0.0019325900000000, 0.0003804200000000, 0.0009648400000000 ] - [ 0.0035174100000000, -0.0001068300000000, -0.0000407900000000 ] - [ 0.0019325900000000, -0.0003804200000000, 0.0009648400000000 ] - [ 0.0035174100000000, 0.0001068300000000, -0.0000407900000000 ] - [ -0.0244847700000000, 0.0000000000000000, -0.0083625500000000 ] - [ -0.0001743700000000, 0.0000000000000000, -0.0018249400000000 ] - [ -0.0033161400000000, 0.0004169700000000, -0.0014961400000000 ] - [ -0.0017607000000000, -0.0001392100000000, -0.0015353200000000 ] - [ -0.0033161400000000, -0.0004169700000000, -0.0014961400000000 ] - [ -0.0017607000000000, 0.0001392100000000, -0.0015353200000000 ] - [ 0.0019672900000000, 0.0001911600000000, 0.0009846800000000 ] - [ 0.0028830000000000, -0.0000361500000000, 0.0017072700000000 ] - [ 0.0019672900000000, -0.0001911600000000, 0.0009846800000000 ] - [ 0.0028830000000000, 0.0000361500000000, 0.0017072700000000 ] - [ 0.0018197700000000, 0.0000000000000000, 0.0011222800000000 ] - [ 0.0030102800000000, 0.0000000000000000, 0.0018404400000000 ] - [ -0.0256347500000000, 0.0000000000000000, -0.0063573400000000 ] - [ -0.0001862700000000, 0.0000000000000000, 0.0010188500000000 ] - [ -0.0033768900000000, -0.0003995500000000, 0.0019508000000000 ] - [ -0.0017913300000000, 0.0001245500000000, 0.0013865400000000 ] - [ -0.0033768900000000, 0.0003995500000000, 0.0019508000000000 ] - [ -0.0017913300000000, -0.0001245500000000, 0.0013865400000000 ] - [ 0.0019751600000000, -0.0001995400000000, -0.0017998400000000 ] - [ 0.0027968500000000, 0.0000534100000000, -0.0015398900000000 ] - [ 0.0019751600000000, 0.0001995400000000, -0.0017998400000000 ] - [ 0.0027968500000000, -0.0000534100000000, -0.0015398900000000 ] - [ 0.0018231200000000, 0.0000000000000000, -0.0017728100000000 ] - [ 0.0027681200000000, 0.0000000000000000, -0.0014283600000000 ] - [ 0.0765790600000000, 0.0000000000000000, -0.0026420000000000 ] - [ 0.0012032200000000, 0.0000000000000000, -0.0053362500000000 ] - [ 0.0066738300000000, 0.0001678800000000, -0.0087766000000000 ] - [ 0.0019909700000000, -0.0000343600000000, -0.0051559700000000 ] - [ 0.0066738300000000, -0.0001678800000000, -0.0087766000000000 ] - [ 0.0019909700000000, 0.0000343600000000, -0.0051559700000000 ] - [ -0.0017893000000000, 0.0001853700000000, 0.0049730300000000 ] - [ -0.0038313800000000, -0.0000483000000000, 0.0056759200000000 ] - [ -0.0017893000000000, -0.0001853700000000, 0.0049730300000000 ] - [ -0.0038313800000000, 0.0000483000000000, 0.0056759200000000 ] - [ -0.0021326400000000, 0.0000000000000000, 0.0045525900000000 ] - [ -0.0038803400000000, 0.0000000000000000, 0.0056416900000000 ] - [ -0.0045416600000000, 0.0000000000000000, 0.0073643700000000 ] - [ -0.0045729500000000, 0.0000000000000000, 0.0066809500000000 ] - [ 0.0021660000000000, -0.0009035500000000, 0.0052991000000000 ] - [ 0.0021621000000000, 0.0008462500000000, 0.0051826100000000 ] - [ 0.0021660000000000, 0.0009035500000000, 0.0052991000000000 ] - [ 0.0021621000000000, -0.0008462500000000, 0.0051826100000000 ] - [ -0.0032449900000000, -0.0001524900000000, -0.0054897200000000 ] - [ -0.0032327200000000, 0.0000352200000000, -0.0058245000000000 ] - [ -0.0032449900000000, 0.0001524900000000, -0.0054897200000000 ] - [ -0.0032327200000000, -0.0000352200000000, -0.0058245000000000 ] - [ -0.0030701600000000, 0.0000000000000000, -0.0057047000000000 ] - [ -0.0030574900000000, 0.0000000000000000, -0.0061272600000000 ] - [ -0.0007036200000000, 0.0000000000000000, 0.0028100500000000 ] - [ 0.0003514000000000, 0.0000000000000000, -0.0012400800000000 ] - [ 0.0008541500000000, 0.0013401100000000, 0.0003037200000000 ] - [ 0.0003665000000000, -0.0003235700000000, -0.0011941900000000 ] - [ 0.0008541500000000, -0.0013401100000000, 0.0003037200000000 ] - [ 0.0003665000000000, 0.0003235700000000, -0.0011941900000000 ] - [ -0.0009361200000000, 0.0037803700000000, -0.0029448900000000 ] - [ -0.0023872900000000, -0.0001642800000000, 0.0014662800000000 ] - [ -0.0009361200000000, -0.0037803700000000, -0.0029448900000000 ] - [ -0.0023872900000000, 0.0001642800000000, 0.0014662800000000 ] - [ -0.0008448600000000, 0.0000000000000000, 0.0003049500000000 ] - [ -0.0016740500000000, 0.0000000000000000, 0.0010220200000000 ] - [ 0.0004735800000000, 0.0000000000000000, 0.0045762300000000 ] - [ 0.0003391500000000, 0.0000000000000000, 0.0006095400000000 ] - [ 0.0014827100000000, -0.0013107100000000, 0.0022085300000000 ] - [ 0.0003531000000000, 0.0002876200000000, 0.0006287600000000 ] - [ 0.0014827100000000, 0.0013107100000000, 0.0022085300000000 ] - [ 0.0003531000000000, -0.0002876200000000, 0.0006287600000000 ] - [ 0.0018557800000000, -0.0035531900000000, -0.0039060900000000 ] - [ -0.0021537200000000, 0.0001530000000000, -0.0007970600000000 ] - [ 0.0018557800000000, 0.0035531900000000, -0.0039060900000000 ] - [ -0.0021537200000000, -0.0001530000000000, -0.0007970600000000 ] - [ -0.0002807700000000, 0.0000000000000000, -0.0017246400000000 ] - [ -0.0018825700000000, 0.0000000000000000, -0.0009371600000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0031128800000000, 0.0003737800000000, 0.0012828700000000 ] - [ 0.0001040600000000, 0.0000417100000000, 0.0001023400000000 ] - [ -0.0029744000000000, 0.0004192000000000, -0.0010347000000000 ] - [ 0.0001022500000000, 0.0000384000000000, 0.0001671800000000 ] - [ 0.0001040000000000, 0.0000561900000000, 0.0001269700000000 ] - [ 0.0001006400000000, -0.0000160400000000, 0.0001185500000000 ] - [ -0.0000968300000000, 0.0000604000000000, -0.0001365900000000 ] - [ -0.0001014000000000, 0.0000431300000000, -0.0001221200000000 ] - [ -0.0000172000000000, -0.0000242200000000, -0.0000560700000000 ] - [ -0.0002195200000000, -0.0000281100000000, -0.0000216500000000 ] - [ -0.0001862700000000, -0.0000271400000000, -0.0002044100000000 ] - [ 0.0000105600000000, -0.0000277900000000, -0.0002260500000000 ] - [ -0.0012499000000000, -0.0003895100000000, -0.0011063100000000 ] - [ 0.0000826400000000, 0.0000197900000000, -0.0000877500000000 ] - [ 0.0015049900000000, -0.0003662100000000, 0.0008551400000000 ] - [ 0.0001200300000000, 0.0000181700000000, -0.0001732400000000 ] - [ 0.0001019900000000, 0.0000610600000000, -0.0001257200000000 ] - [ 0.0001038200000000, -0.0000244700000000, -0.0001352800000000 ] - [ -0.0001036700000000, -0.0000637500000000, 0.0001344500000000 ] - [ -0.0001023900000000, 0.0000419700000000, 0.0001245700000000 ] - [ -0.0001901200000000, 0.0000390900000000, 0.0000819800000000 ] - [ -0.0000724600000000, -0.0000153400000000, 0.0001158800000000 ] - [ -0.0000186800000000, 0.0000357100000000, 0.0001893800000000 ] - [ -0.0001288700000000, -0.0000120100000000, 0.0001306500000000 ] - [ 0.0014595300000000, 0.0001553500000000, 0.0091911300000000 ] - [ 0.0014627000000000, 0.0002151000000000, 0.0091875000000000 ] - [ 0.0016957400000000, 0.0000045700000000, 0.0092054500000000 ] - [ 0.0018000200000000, -0.0000980100000000, 0.0089081900000000 ] - [ 0.0012279600000000, 0.0000026800000000, 0.0091724900000000 ] - [ 0.0011140300000000, -0.0000971300000000, 0.0094766200000000 ] - [ -0.0026451500000000, 0.0007019100000000, -0.0085222300000000 ] - [ -0.0015801400000000, 0.0002493900000000, -0.0091823600000000 ] - [ -0.0002702400000000, 0.0007011900000000, -0.0098512900000000 ] - [ -0.0013419900000000, 0.0002510800000000, -0.0091925800000000 ] - [ -0.0014636700000000, -0.0009755200000000, -0.0091932200000000 ] - [ -0.0014586400000000, -0.0002145900000000, -0.0091903600000000 ] - [ 0.0014638700000000, 0.0005946200000000, -0.0091815600000000 ] - [ 0.0014527800000000, 0.0000338400000000, -0.0091947300000000 ] - [ 0.0020088100000000, -0.0000907100000000, -0.0090361600000000 ] - [ 0.0014098300000000, -0.0000195300000000, -0.0091790600000000 ] - [ 0.0009146200000000, -0.0000914600000000, -0.0093434000000000 ] - [ 0.0015062300000000, -0.0000190200000000, -0.0092035300000000 ] - [ -0.0028565000000000, 0.0103565700000000, 0.0170470900000000 ] - [ -0.0013867000000000, 0.0000089200000000, 0.0092070600000000 ] - [ 0.0001094500000000, 0.0107472800000000, 0.0009175700000000 ] - [ -0.0015353200000000, 0.0000071300000000, 0.0091714900000000 ] - [ -0.0014628100000000, -0.0042153600000000, 0.0091921600000000 ] - [ -0.0014602500000000, -0.0000421300000000, 0.0091900500000000 ] - [ -0.0023056800000000, 0.0006843600000000, -0.0000651400000000 ] - [ -0.0029249300000000, 0.0002224500000000, 0.0002411200000000 ] - [ -0.0037987500000000, 0.0006864400000000, 0.0005852200000000 ] - [ -0.0031620800000000, 0.0002220200000000, 0.0002760300000000 ] - [ -0.0030411100000000, -0.0010467600000000, 0.0002637300000000 ] - [ -0.0030449100000000, -0.0002223900000000, 0.0002599900000000 ] - [ 0.0030403600000000, 0.0006942300000000, -0.0002586100000000 ] - [ 0.0030514000000000, 0.0000419800000000, -0.0002638500000000 ] - [ 0.0032289100000000, -0.0004545400000000, 0.0001066300000000 ] - [ 0.0030111300000000, 0.0000067800000000, -0.0002510000000000 ] - [ 0.0028539800000000, -0.0004540300000000, -0.0006214800000000 ] - [ 0.0030833600000000, 0.0000071500000000, -0.0002686000000000 ] - [ -0.0017588600000000, 0.0125698700000000, -0.0111042400000000 ] - [ -0.0030904400000000, -0.0000001000000000, -0.0002632500000000 ] - [ -0.0045255800000000, 0.0130366800000000, 0.0110968900000000 ] - [ -0.0029922600000000, -0.0000025500000000, -0.0002521900000000 ] - [ -0.0030415700000000, -0.0042461000000000, -0.0002604800000000 ] - [ -0.0030448700000000, -0.0000211900000000, -0.0002598900000000 ] - [ 0.0030430500000000, 0.0002253700000000, 0.0002576700000000 ] - [ 0.0030442600000000, 0.0002541100000000, 0.0002595900000000 ] - [ 0.0026101200000000, 0.0000003200000000, 0.0001442400000000 ] - [ 0.0032206400000000, -0.0001411000000000, 0.0001457400000000 ] - [ 0.0034759300000000, 0.0000012800000000, 0.0003736700000000 ] - [ 0.0028710200000000, -0.0001407500000000, 0.0003763000000000 ] - [ -0.0024745900000000, 0.0022968700000000, -0.0015557900000000 ] - [ -0.0023874400000000, 0.0003370100000000, -0.0015172200000000 ] - [ -0.0031395400000000, -0.0000696900000000, -0.0019636600000000 ] - [ -0.0021946800000000, -0.0001051400000000, -0.0014991300000000 ] - [ -0.0016363300000000, -0.0000655100000000, -0.0010834800000000 ] - [ -0.0025813800000000, -0.0001088400000000, -0.0015394000000000 ] - [ 0.0020386600000000, 0.0004529200000000, 0.0017626400000000 ] - [ 0.0023790300000000, 0.0000046700000000, 0.0015097400000000 ] - [ 0.0027364400000000, 0.0004508700000000, 0.0012672000000000 ] - [ 0.0023989900000000, -0.0000049900000000, 0.0015428800000000 ] - [ 0.0023880700000000, -0.0007941900000000, 0.0015187100000000 ] - [ 0.0023892800000000, 0.0000039700000000, 0.0015235400000000 ] - [ -0.0023027600000000, 0.0031640400000000, 0.0015567300000000 ] - [ -0.0023882100000000, 0.0001650900000000, 0.0015163400000000 ] - [ -0.0017733900000000, -0.0001040800000000, 0.0020938900000000 ] - [ -0.0025279000000000, -0.0000507500000000, 0.0015312800000000 ] - [ -0.0030026100000000, -0.0001092900000000, 0.0009442900000000 ] - [ -0.0022491900000000, -0.0000587800000000, 0.0015082100000000 ] - [ 0.0024853700000000, 0.0004973200000000, -0.0012825600000000 ] - [ 0.0023597500000000, 0.0000520700000000, -0.0014948600000000 ] - [ 0.0022882500000000, 0.0004876600000000, -0.0017538200000000 ] - [ 0.0024155100000000, 0.0000552200000000, -0.0015470000000000 ] - [ 0.0023879100000000, -0.0010676100000000, -0.0015227800000000 ] - [ 0.0023870400000000, -0.0000907200000000, -0.0015216000000000 ] - [ 0.0030646000000000, -0.0713276700000000, -0.0055205200000000 ] - [ 0.0029913000000000, 0.0000820100000000, -0.0054294900000000 ] - [ 0.0031827200000000, 0.0133628900000000, -0.0058787900000000 ] - [ 0.0029576100000000, -0.0000146900000000, -0.0054440900000000 ] - [ 0.0028017700000000, 0.0131705100000000, -0.0049803300000000 ] - [ 0.0030258200000000, -0.0000162100000000, -0.0054128400000000 ] - [ -0.0031727000000000, -0.0001402000000000, 0.0053719400000000 ] - [ -0.0029499000000000, -0.0000863200000000, 0.0054150000000000 ] - [ -0.0028057700000000, -0.0001365100000000, 0.0054849000000000 ] - [ -0.0030409600000000, -0.0000870100000000, 0.0054440000000000 ] - [ -0.0029911400000000, 0.0003489800000000, 0.0054290200000000 ] - [ -0.0029910500000000, 0.0002071300000000, 0.0054296400000000 ] - [ 0.0029865400000000, -0.0013065000000000, 0.0054347400000000 ] - [ 0.0029938400000000, -0.0013056800000000, 0.0054244300000000 ] - [ 0.0038380000000000, 0.0005690000000000, 0.0054732600000000 ] - [ 0.0020834700000000, 0.0005692300000000, 0.0053190800000000 ] - [ 0.0021451400000000, 0.0005644100000000, 0.0053852500000000 ] - [ 0.0038936200000000, 0.0005644400000000, 0.0055400100000000 ] - [ -0.0028453200000000, -0.0002869600000000, -0.0054450200000000 ] - [ -0.0030191900000000, 0.0000412500000000, -0.0053640600000000 ] - [ -0.0031458800000000, -0.0002824300000000, -0.0054108100000000 ] - [ -0.0029523400000000, 0.0000362400000000, -0.0054950400000000 ] - [ -0.0029938200000000, 0.0005739200000000, -0.0054298800000000 ] - [ -0.0029907900000000, -0.0000979100000000, -0.0054285100000000 ] - [ 0.0012544800000000, -0.0073399300000000, -0.0009614300000000 ] - [ 0.0012665200000000, 0.0000056300000000, -0.0009702500000000 ] - [ -0.0013045400000000, 0.0037103400000000, 0.0008962400000000 ] - [ 0.0011732500000000, -0.0000322300000000, -0.0010065600000000 ] - [ 0.0038557900000000, 0.0037159500000000, -0.0028286400000000 ] - [ 0.0013573800000000, -0.0000352600000000, -0.0009371800000000 ] - [ -0.0022542400000000, -0.0007453600000000, 0.0006629800000000 ] - [ -0.0005628000000000, -0.0001381100000000, 0.0005335900000000 ] - [ -0.0002783400000000, -0.0007541400000000, 0.0012734100000000 ] - [ -0.0019755100000000, -0.0001421800000000, 0.0014011600000000 ] - [ -0.0012663300000000, 0.0009361700000000, 0.0009711600000000 ] - [ -0.0012681000000000, 0.0002672000000000, 0.0009661300000000 ] - [ 0.0012709400000000, -0.0070877100000000, 0.0009648500000000 ] - [ 0.0012675400000000, -0.0000221900000000, 0.0009667900000000 ] - [ 0.0033792400000000, 0.0037495800000000, -0.0008023600000000 ] - [ 0.0012935600000000, -0.0000057000000000, 0.0010223400000000 ] - [ -0.0008597200000000, 0.0037520000000000, 0.0027418600000000 ] - [ 0.0012383500000000, -0.0000057300000000, 0.0009117500000000 ] - [ 0.0013803000000000, -0.0009043400000000, 0.0003384100000000 ] - [ -0.0015013900000000, -0.0000413100000000, -0.0008617600000000 ] - [ -0.0039189700000000, -0.0009118900000000, -0.0022755100000000 ] - [ -0.0010326400000000, -0.0000409300000000, -0.0010849000000000 ] - [ -0.0012621100000000, 0.0013230200000000, -0.0009736000000000 ] - [ -0.0012679700000000, 0.0000634100000000, -0.0009690000000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0015776700000000, 0.0008969400000000, -0.0022328300000000 ] - [ 0.0001645700000000, 0.0000067000000000, 0.0000899300000000 ] - [ -0.0015776700000000, -0.0008969400000000, -0.0022328300000000 ] - [ 0.0001645700000000, -0.0000067000000000, 0.0000899300000000 ] - [ -0.0000165000000000, 0.0000000000000000, -0.0001341100000000 ] - [ 0.0001521600000000, 0.0000000000000000, 0.0001339600000000 ] - [ 0.0001107200000000, 0.0000000000000000, 0.0001265000000000 ] - [ -0.0002862700000000, 0.0000000000000000, -0.0000059000000000 ] - [ -0.0000402600000000, 0.0000129200000000, 0.0000890900000000 ] - [ -0.0002535400000000, 0.0000142800000000, -0.0000293800000000 ] - [ -0.0000402600000000, -0.0000129200000000, 0.0000890900000000 ] - [ -0.0002535400000000, -0.0000142800000000, -0.0000293800000000 ] - [ -0.0013468300000000, -0.0009672000000000, -0.0018655300000000 ] - [ 0.0001185000000000, -0.0000114100000000, -0.0001846000000000 ] - [ -0.0013468300000000, 0.0009672000000000, -0.0018655300000000 ] - [ 0.0001185000000000, 0.0000114100000000, -0.0001846000000000 ] - [ -0.0000841300000000, 0.0000000000000000, -0.0003824500000000 ] - [ 0.0001247600000000, 0.0000000000000000, -0.0001452400000000 ] - [ 0.0001142300000000, 0.0000000000000000, 0.0003816500000000 ] - [ -0.0001411200000000, 0.0000000000000000, 0.0001429700000000 ] - [ 0.0000116300000000, 0.0000765800000000, 0.0003397000000000 ] - [ -0.0001182300000000, -0.0000168100000000, 0.0001485100000000 ] - [ 0.0000116300000000, -0.0000765800000000, 0.0003397000000000 ] - [ -0.0001182300000000, 0.0000168100000000, 0.0001485100000000 ] - [ 0.0014162500000000, 0.0000000000000000, 0.0089826900000000 ] - [ 0.0019766400000000, 0.0000000000000000, 0.0087515400000000 ] - [ 0.0016681000000000, -0.0002803500000000, 0.0088536600000000 ] - [ 0.0017843600000000, -0.0000158200000000, 0.0088426800000000 ] - [ 0.0016681000000000, 0.0002803500000000, 0.0088536600000000 ] - [ 0.0017843600000000, 0.0000158200000000, 0.0088426800000000 ] - [ -0.0009001100000000, -0.0001553900000000, -0.0081917600000000 ] - [ -0.0015712700000000, 0.0002512000000000, -0.0090900100000000 ] - [ -0.0009001100000000, 0.0001553900000000, -0.0081917600000000 ] - [ -0.0015712700000000, -0.0002512000000000, -0.0090900100000000 ] - [ -0.0010144300000000, 0.0000000000000000, -0.0081095900000000 ] - [ -0.0012566100000000, 0.0000000000000000, -0.0089633700000000 ] - [ 0.0010205700000000, 0.0000000000000000, -0.0099265800000000 ] - [ 0.0016209200000000, 0.0000000000000000, -0.0092523600000000 ] - [ 0.0009007100000000, 0.0002220700000000, -0.0095005400000000 ] - [ 0.0015909600000000, 0.0000022500000000, -0.0092466000000000 ] - [ 0.0009007100000000, -0.0002220700000000, -0.0095005400000000 ] - [ 0.0015909600000000, -0.0000022500000000, -0.0092466000000000 ] - [ -0.0037587900000000, 0.0086523400000000, 0.0211063300000000 ] - [ -0.0013686700000000, -0.0000082000000000, 0.0091530300000000 ] - [ -0.0037587900000000, -0.0086523400000000, 0.0211063300000000 ] - [ -0.0013686700000000, 0.0000082000000000, 0.0091530300000000 ] - [ -0.0020719500000000, 0.0000000000000000, 0.0104710800000000 ] - [ -0.0012730400000000, 0.0000000000000000, 0.0092081100000000 ] - [ -0.0024309000000000, 0.0002064000000000, 0.0013031500000000 ] - [ -0.0031255900000000, -0.0002547200000000, 0.0003143400000000 ] - [ -0.0024309000000000, -0.0002064000000000, 0.0013031500000000 ] - [ -0.0031255900000000, 0.0002547200000000, 0.0003143400000000 ] - [ -0.0025852100000000, 0.0000000000000000, 0.0012399300000000 ] - [ -0.0028288100000000, 0.0000000000000000, 0.0004571500000000 ] - [ 0.0027668400000000, 0.0000000000000000, -0.0007349500000000 ] - [ 0.0032033500000000, 0.0000000000000000, -0.0002409800000000 ] - [ 0.0028420600000000, 0.0005070300000000, -0.0008552300000000 ] - [ 0.0031580800000000, -0.0000007200000000, -0.0002006700000000 ] - [ 0.0028420600000000, -0.0005070300000000, -0.0008552300000000 ] - [ 0.0031580800000000, 0.0000007200000000, -0.0002006700000000 ] - [ -0.0056385800000000, -0.0115302900000000, 0.0145733400000000 ] - [ -0.0029837800000000, 0.0000297900000000, -0.0003097900000000 ] - [ -0.0056385800000000, 0.0115302900000000, 0.0145733400000000 ] - [ -0.0029837800000000, -0.0000297900000000, -0.0003097900000000 ] - [ -0.0033585900000000, 0.0000000000000000, 0.0008798100000000 ] - [ -0.0028989700000000, 0.0000000000000000, -0.0002966300000000 ] - [ 0.0027171000000000, 0.0000000000000000, -0.0001299800000000 ] - [ 0.0032615400000000, 0.0000000000000000, 0.0001452700000000 ] - [ 0.0026115300000000, -0.0001703200000000, -0.0000407500000000 ] - [ 0.0032132600000000, -0.0000360300000000, 0.0001597200000000 ] - [ 0.0026115300000000, 0.0001703200000000, -0.0000407500000000 ] - [ 0.0032132600000000, 0.0000360300000000, 0.0001597200000000 ] - [ 0.0078686400000000, 0.0000000000000000, 0.0033844400000000 ] - [ -0.0027150600000000, 0.0000000000000000, -0.0011523000000000 ] - [ -0.0025430000000000, 0.0001265300000000, -0.0003736000000000 ] - [ -0.0021885300000000, -0.0000264400000000, -0.0014101100000000 ] - [ -0.0025430000000000, -0.0001265300000000, -0.0003736000000000 ] - [ -0.0021885300000000, 0.0000264400000000, -0.0014101100000000 ] - [ 0.0022336500000000, -0.0000149700000000, 0.0007273000000000 ] - [ 0.0025685100000000, 0.0000248100000000, 0.0014843400000000 ] - [ 0.0022336500000000, 0.0000149700000000, 0.0007273000000000 ] - [ 0.0025685100000000, -0.0000248100000000, 0.0014843400000000 ] - [ 0.0020111100000000, 0.0000000000000000, 0.0002672000000000 ] - [ 0.0025514200000000, 0.0000000000000000, 0.0014880300000000 ] - [ 0.0095447600000000, 0.0000000000000000, 0.0085732700000000 ] - [ -0.0027069700000000, 0.0000000000000000, 0.0017937500000000 ] - [ -0.0026791000000000, -0.0002629500000000, 0.0030562000000000 ] - [ -0.0021805400000000, 0.0000015100000000, 0.0015629700000000 ] - [ -0.0026791000000000, 0.0002629500000000, 0.0030562000000000 ] - [ -0.0021805400000000, -0.0000015100000000, 0.0015629700000000 ] - [ 0.0022892800000000, -0.0000869400000000, -0.0022816600000000 ] - [ 0.0025188600000000, -0.0000178100000000, -0.0016567500000000 ] - [ 0.0022892800000000, 0.0000869400000000, -0.0022816600000000 ] - [ 0.0025188600000000, 0.0000178100000000, -0.0016567500000000 ] - [ 0.0024523100000000, 0.0000000000000000, -0.0031002600000000 ] - [ 0.0024517700000000, 0.0000000000000000, -0.0016555300000000 ] - [ 0.0002887300000000, 0.0000000000000000, -0.0716010600000000 ] - [ 0.0028894200000000, 0.0000000000000000, -0.0053572500000000 ] - [ 0.0063344100000000, 0.0004488700000000, -0.0132706200000000 ] - [ 0.0027083300000000, 0.0000160100000000, -0.0054098700000000 ] - [ 0.0063344100000000, -0.0004488700000000, -0.0132706200000000 ] - [ 0.0027083300000000, -0.0000160100000000, -0.0054098700000000 ] - [ -0.0025241600000000, -0.0000584100000000, 0.0063463400000000 ] - [ -0.0032320700000000, -0.0000137000000000, 0.0055183500000000 ] - [ -0.0025241600000000, 0.0000584100000000, 0.0063463400000000 ] - [ -0.0032320700000000, 0.0000137000000000, 0.0055183500000000 ] - [ -0.0021042000000000, 0.0000000000000000, 0.0059317300000000 ] - [ -0.0031953300000000, 0.0000000000000000, 0.0055089100000000 ] - [ 0.0042331000000000, 0.0000000000000000, 0.0042011000000000 ] - [ 0.0049135800000000, 0.0000000000000000, 0.0042005200000000 ] - [ 0.0027337600000000, -0.0001095600000000, 0.0048921700000000 ] - [ 0.0028521800000000, 0.0000452400000000, 0.0048952000000000 ] - [ 0.0027337600000000, 0.0001095600000000, 0.0048921700000000 ] - [ 0.0028521800000000, -0.0000452400000000, 0.0048952000000000 ] - [ -0.0030456000000000, 0.0000175400000000, -0.0050367000000000 ] - [ -0.0033750800000000, -0.0000656700000000, -0.0053386100000000 ] - [ -0.0030456000000000, -0.0000175400000000, -0.0050367000000000 ] - [ -0.0033750800000000, 0.0000656700000000, -0.0053386100000000 ] - [ -0.0032577600000000, 0.0000000000000000, -0.0048999400000000 ] - [ -0.0036807800000000, 0.0000000000000000, -0.0053553500000000 ] - [ -0.0040158600000000, 0.0000000000000000, 0.0025671000000000 ] - [ 0.0011715300000000, 0.0000000000000000, -0.0009759500000000 ] - [ -0.0012467300000000, 0.0024603900000000, 0.0009540700000000 ] - [ 0.0010727800000000, 0.0001275300000000, -0.0009329100000000 ] - [ -0.0012467300000000, -0.0024603900000000, 0.0009540700000000 ] - [ 0.0010727800000000, -0.0001275300000000, -0.0009329100000000 ] - [ -0.0000122100000000, -0.0010453500000000, 0.0021398400000000 ] - [ -0.0015603100000000, -0.0000311100000000, 0.0010535200000000 ] - [ -0.0000122100000000, 0.0010453500000000, 0.0021398400000000 ] - [ -0.0015603100000000, 0.0000311100000000, 0.0010535200000000 ] - [ -0.0010636600000000, 0.0000000000000000, 0.0007141900000000 ] - [ -0.0014414100000000, 0.0000000000000000, 0.0009646300000000 ] - [ -0.0028436000000000, 0.0000000000000000, 0.0046064700000000 ] - [ 0.0012142100000000, 0.0000000000000000, 0.0010189200000000 ] - [ -0.0008895400000000, -0.0026698700000000, 0.0029329400000000 ] - [ 0.0011785900000000, -0.0001034900000000, 0.0010004900000000 ] - [ -0.0008895400000000, 0.0026698700000000, 0.0029329400000000 ] - [ 0.0011785900000000, 0.0001034900000000, 0.0010004900000000 ] - [ 0.0010409700000000, 0.0014146800000000, 0.0011280100000000 ] - [ -0.0015432500000000, -0.0000356600000000, -0.0009567700000000 ] - [ 0.0010409700000000, -0.0014146800000000, 0.0011280100000000 ] - [ -0.0015432500000000, 0.0000356600000000, -0.0009567700000000 ] - [ -0.0006488800000000, 0.0000000000000000, -0.0012354100000000 ] - [ -0.0015080400000000, 0.0000000000000000, -0.0009856200000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0017951300000000, -0.0009046300000000, 0.0024911300000000 ] - [ 0.0000627100000000, -0.0000060900000000, 0.0001942800000000 ] - [ 0.0017951300000000, 0.0009046300000000, 0.0024911300000000 ] - [ 0.0000627100000000, 0.0000060900000000, 0.0001942800000000 ] - [ 0.0002435700000000, 0.0000000000000000, 0.0004179900000000 ] - [ 0.0000696200000000, 0.0000000000000000, 0.0001430700000000 ] - [ -0.0003272400000000, 0.0000000000000000, -0.0004051400000000 ] - [ 0.0000675600000000, 0.0000000000000000, -0.0002717500000000 ] - [ -0.0001848300000000, -0.0000126300000000, -0.0003729600000000 ] - [ 0.0000307200000000, -0.0000148800000000, -0.0002477100000000 ] - [ -0.0001848300000000, 0.0000126300000000, -0.0003729600000000 ] - [ 0.0000307200000000, 0.0000148800000000, -0.0002477100000000 ] - [ 0.0015766200000000, 0.0009618300000000, 0.0016103100000000 ] - [ 0.0001009100000000, 0.0000116200000000, -0.0000948800000000 ] - [ 0.0015766200000000, -0.0009618300000000, 0.0016103100000000 ] - [ 0.0001009100000000, -0.0000116200000000, -0.0000948800000000 ] - [ 0.0003094800000000, 0.0000000000000000, 0.0000985800000000 ] - [ 0.0000975900000000, 0.0000000000000000, -0.0001312500000000 ] - [ -0.0003379900000000, 0.0000000000000000, -0.0000974500000000 ] - [ -0.0000789900000000, 0.0000000000000000, 0.0001320200000000 ] - [ -0.0002340900000000, -0.0000751000000000, -0.0000572800000000 ] - [ -0.0001046400000000, 0.0000154700000000, 0.0001299000000000 ] - [ -0.0002340900000000, 0.0000751000000000, -0.0000572800000000 ] - [ -0.0001046400000000, -0.0000154700000000, 0.0001299000000000 ] - [ 0.0014931400000000, 0.0000000000000000, 0.0093897800000000 ] - [ 0.0009280400000000, 0.0000000000000000, 0.0096238600000000 ] - [ 0.0012393300000000, 0.0002831800000000, 0.0095185500000000 ] - [ 0.0011242100000000, 0.0000153600000000, 0.0095292600000000 ] - [ 0.0012393300000000, -0.0002831800000000, 0.0095185500000000 ] - [ 0.0011242100000000, -0.0000153600000000, 0.0095292600000000 ] - [ -0.0020023600000000, 0.0001577500000000, -0.0101819800000000 ] - [ -0.0013353000000000, -0.0002517800000000, -0.0092828400000000 ] - [ -0.0020023600000000, -0.0001577500000000, -0.0101819800000000 ] - [ -0.0013353000000000, 0.0002517800000000, -0.0092828400000000 ] - [ -0.0018957900000000, 0.0000000000000000, -0.0102726200000000 ] - [ -0.0016565700000000, 0.0000000000000000, -0.0094077800000000 ] - [ 0.0018922500000000, 0.0000000000000000, -0.0084528100000000 ] - [ 0.0012856900000000, 0.0000000000000000, -0.0091209400000000 ] - [ 0.0020073800000000, -0.0002211800000000, -0.0088754600000000 ] - [ 0.0013188300000000, -0.0000016900000000, -0.0091246200000000 ] - [ 0.0020073800000000, 0.0002211800000000, -0.0088754600000000 ] - [ 0.0013188300000000, 0.0000016900000000, -0.0091246200000000 ] - [ 0.0010088800000000, -0.0090827200000000, -0.0030693800000000 ] - [ -0.0015366800000000, 0.0000086800000000, 0.0092210000000000 ] - [ 0.0010088800000000, 0.0090827200000000, -0.0030693800000000 ] - [ -0.0015366800000000, -0.0000086800000000, 0.0092210000000000 ] - [ -0.0008400600000000, 0.0000000000000000, 0.0079155200000000 ] - [ -0.0016333000000000, 0.0000000000000000, 0.0091652600000000 ] - [ -0.0036791000000000, -0.0002044900000000, -0.0007927800000000 ] - [ -0.0029814000000000, 0.0002546000000000, 0.0001966600000000 ] - [ -0.0036791000000000, 0.0002044900000000, -0.0007927800000000 ] - [ -0.0029814000000000, -0.0002546000000000, 0.0001966600000000 ] - [ -0.0035192900000000, 0.0000000000000000, -0.0007223900000000 ] - [ -0.0032756500000000, 0.0000000000000000, 0.0000537300000000 ] - [ 0.0033358200000000, 0.0000000000000000, 0.0002259300000000 ] - [ 0.0029013600000000, 0.0000000000000000, -0.0002710300000000 ] - [ 0.0032612400000000, -0.0005045600000000, 0.0003422800000000 ] - [ 0.0029431000000000, 0.0000002000000000, -0.0003069300000000 ] - [ 0.0032612400000000, 0.0005045600000000, 0.0003422800000000 ] - [ 0.0029431000000000, -0.0000002000000000, -0.0003069300000000 ] - [ -0.0006458600000000, 0.0110251400000000, -0.0147072300000000 ] - [ -0.0031196500000000, -0.0000288700000000, -0.0001997900000000 ] - [ -0.0006458600000000, -0.0110251400000000, -0.0147072300000000 ] - [ -0.0031196500000000, 0.0000288700000000, -0.0001997900000000 ] - [ -0.0027406800000000, 0.0000000000000000, -0.0014030000000000 ] - [ -0.0032010800000000, 0.0000000000000000, -0.0002093100000000 ] - [ 0.0033809700000000, 0.0000000000000000, 0.0006429500000000 ] - [ 0.0028413300000000, 0.0000000000000000, 0.0003650100000000 ] - [ 0.0034922100000000, 0.0001687200000000, 0.0005488000000000 ] - [ 0.0028866000000000, 0.0000370800000000, 0.0003485200000000 ] - [ 0.0034922100000000, -0.0001687200000000, 0.0005488000000000 ] - [ 0.0028866000000000, -0.0000370800000000, 0.0003485200000000 ] - [ -0.0125828500000000, 0.0000000000000000, -0.0064751800000000 ] - [ -0.0020614100000000, 0.0000000000000000, -0.0018915300000000 ] - [ -0.0022396700000000, -0.0001366400000000, -0.0026807700000000 ] - [ -0.0025859100000000, 0.0000259700000000, -0.0016335400000000 ] - [ -0.0022396700000000, 0.0001366400000000, -0.0026807700000000 ] - [ -0.0025859100000000, -0.0000259700000000, -0.0016335400000000 ] - [ 0.0025442800000000, 0.0000134900000000, 0.0023109500000000 ] - [ 0.0022058700000000, -0.0000218700000000, 0.0015546800000000 ] - [ 0.0025442800000000, -0.0000134900000000, 0.0023109500000000 ] - [ 0.0022058700000000, 0.0000218700000000, 0.0015546800000000 ] - [ 0.0027643100000000, 0.0000000000000000, 0.0027795000000000 ] - [ 0.0022248600000000, 0.0000000000000000, 0.0015507400000000 ] - [ -0.0144379300000000, 0.0000000000000000, -0.0054977300000000 ] - [ -0.0020679400000000, 0.0000000000000000, 0.0012472800000000 ] - [ -0.0020865500000000, 0.0002515100000000, -0.0000062400000000 ] - [ -0.0025951700000000, -0.0000054200000000, 0.0014756000000000 ] - [ -0.0020865500000000, -0.0002515100000000, -0.0000062400000000 ] - [ -0.0025951700000000, 0.0000054200000000, 0.0014756000000000 ] - [ 0.0024833600000000, 0.0000823200000000, -0.0007609500000000 ] - [ 0.0022551900000000, 0.0000198000000000, -0.0013818500000000 ] - [ 0.0024833600000000, -0.0000823200000000, -0.0007609500000000 ] - [ 0.0022551900000000, -0.0000198000000000, -0.0013818500000000 ] - [ 0.0023225000000000, 0.0000000000000000, 0.0000532900000000 ] - [ 0.0023205200000000, 0.0000000000000000, -0.0013822300000000 ] - [ 0.0058009400000000, 0.0000000000000000, 0.0607096300000000 ] - [ 0.0030812600000000, 0.0000000000000000, -0.0055008200000000 ] - [ -0.0003661200000000, -0.0004444100000000, 0.0024133500000000 ] - [ 0.0032592200000000, -0.0000165000000000, -0.0054510800000000 ] - [ -0.0003661200000000, 0.0004444100000000, 0.0024133500000000 ] - [ 0.0032592200000000, 0.0000165000000000, -0.0054510800000000 ] - [ -0.0034418900000000, 0.0000522800000000, 0.0045157700000000 ] - [ -0.0027349600000000, 0.0000176300000000, 0.0053435400000000 ] - [ -0.0034418900000000, -0.0000522800000000, 0.0045157700000000 ] - [ -0.0027349600000000, -0.0000176300000000, 0.0053435400000000 ] - [ -0.0038597000000000, 0.0000000000000000, 0.0049268600000000 ] - [ -0.0027725500000000, 0.0000000000000000, 0.0053529300000000 ] - [ 0.0017257000000000, 0.0000000000000000, 0.0066624700000000 ] - [ 0.0010418300000000, 0.0000000000000000, 0.0066624900000000 ] - [ 0.0032281200000000, 0.0001099100000000, 0.0059644600000000 ] - [ 0.0031097600000000, -0.0000436200000000, 0.0059664000000000 ] - [ 0.0032281200000000, -0.0001099100000000, 0.0059644600000000 ] - [ 0.0031097600000000, 0.0000436200000000, 0.0059664000000000 ] - [ -0.0029207900000000, -0.0000182200000000, -0.0058241900000000 ] - [ -0.0025854200000000, 0.0000650500000000, -0.0055215800000000 ] - [ -0.0029207900000000, 0.0000182200000000, -0.0058241900000000 ] - [ -0.0025854200000000, -0.0000650500000000, -0.0055215800000000 ] - [ -0.0027023600000000, 0.0000000000000000, -0.0059606500000000 ] - [ -0.0022860400000000, 0.0000000000000000, -0.0055037800000000 ] - [ 0.0064998200000000, 0.0000000000000000, -0.0044890000000000 ] - [ 0.0013558000000000, 0.0000000000000000, -0.0009794900000000 ] - [ 0.0037856300000000, -0.0024663600000000, -0.0029122500000000 ] - [ 0.0014530100000000, -0.0001275800000000, -0.0010232200000000 ] - [ 0.0037856300000000, 0.0024663600000000, -0.0029122500000000 ] - [ 0.0014530100000000, 0.0001275800000000, -0.0010232200000000 ] - [ -0.0025113700000000, 0.0010453200000000, -0.0001864600000000 ] - [ -0.0009655800000000, 0.0000346000000000, 0.0009024600000000 ] - [ -0.0025113700000000, -0.0010453200000000, -0.0001864600000000 ] - [ -0.0009655800000000, -0.0000346000000000, 0.0009024600000000 ] - [ -0.0014631700000000, 0.0000000000000000, 0.0012463100000000 ] - [ -0.0010851400000000, 0.0000000000000000, 0.0009894400000000 ] - [ 0.0054079800000000, 0.0000000000000000, -0.0026815100000000 ] - [ 0.0013105700000000, 0.0000000000000000, 0.0009349900000000 ] - [ 0.0034074000000000, 0.0026682300000000, -0.0009724200000000 ] - [ 0.0013476300000000, 0.0001028000000000, 0.0009532000000000 ] - [ 0.0034074000000000, -0.0026682300000000, -0.0009724200000000 ] - [ 0.0013476300000000, -0.0001028000000000, 0.0009532000000000 ] - [ -0.0035793700000000, -0.0014206500000000, -0.0030927500000000 ] - [ -0.0009832600000000, 0.0000360400000000, -0.0010023400000000 ] - [ -0.0035793700000000, 0.0014206500000000, -0.0030927500000000 ] - [ -0.0009832600000000, -0.0000360400000000, -0.0010023400000000 ] - [ -0.0018726300000000, 0.0000000000000000, -0.0007260000000000 ] - [ -0.0010188800000000, 0.0000000000000000, -0.0009715100000000 ]- atom: 121 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0014757100000000, 0.0001206700000000, 0.0001518000000000 ] - [ 0.0002028200000000, -0.0000066300000000, 0.0001138700000000 ] - [ -0.0014757100000000, -0.0001206700000000, 0.0001518000000000 ] - [ 0.0002028200000000, 0.0000066300000000, 0.0001138700000000 ] - [ 0.0000751400000000, 0.0000000000000000, 0.0002136400000000 ] - [ 0.0001666500000000, 0.0000000000000000, 0.0001293100000000 ] - [ 0.0007037300000000, 0.0000000000000000, 0.0004740700000000 ] - [ 0.0024766300000000, 0.0000000000000000, -0.0019439700000000 ] - [ -0.0000464500000000, -0.0000198700000000, -0.0002033800000000 ] - [ -0.0001514000000000, -0.0000092000000000, -0.0000519200000000 ] - [ -0.0000464500000000, 0.0000198700000000, -0.0002033800000000 ] - [ -0.0001514000000000, 0.0000092000000000, -0.0000519200000000 ] - [ -0.0000006300000000, -0.0000084100000000, -0.0002127100000000 ] - [ 0.0000626000000000, 0.0000337600000000, -0.0000480300000000 ] - [ -0.0000006300000000, 0.0000084100000000, -0.0002127100000000 ] - [ 0.0000626000000000, -0.0000337600000000, -0.0000480300000000 ] - [ 0.0001062300000000, 0.0000000000000000, -0.0002776200000000 ] - [ 0.0001268500000000, 0.0000000000000000, 0.0000297800000000 ] - [ -0.0001484400000000, 0.0000000000000000, 0.0004894500000000 ] - [ -0.0001310800000000, 0.0000000000000000, 0.0001805200000000 ] - [ 0.0000620800000000, 0.0006890100000000, 0.0004099800000000 ] - [ -0.0001102200000000, 0.0000120000000000, 0.0001837500000000 ] - [ 0.0000620800000000, -0.0006890100000000, 0.0004099800000000 ] - [ -0.0001102200000000, -0.0000120000000000, 0.0001837500000000 ] - [ 0.0005264400000000, 0.0000000000000000, 0.0090641600000000 ] - [ 0.0025327000000000, 0.0000000000000000, 0.0101725300000000 ] - [ 0.0010190400000000, -0.0000913300000000, 0.0089624700000000 ] - [ 0.0019302500000000, 0.0004877400000000, 0.0094772300000000 ] - [ 0.0010190400000000, 0.0000913300000000, 0.0089624700000000 ] - [ 0.0019302500000000, -0.0004877400000000, 0.0094772300000000 ] - [ 0.0036839000000000, 0.0023907600000000, -0.0075916700000000 ] - [ -0.0020532400000000, 0.0000108700000000, -0.0092747100000000 ] - [ 0.0036839000000000, -0.0023907600000000, -0.0075916700000000 ] - [ -0.0020532400000000, -0.0000108700000000, -0.0092747100000000 ] - [ -0.0002989700000000, 0.0000000000000000, -0.0084447500000000 ] - [ -0.0019765000000000, 0.0000000000000000, -0.0093369800000000 ] - [ 0.0018605300000000, 0.0000000000000000, -0.0094534300000000 ] - [ 0.0009668500000000, 0.0000000000000000, -0.0089784100000000 ] - [ 0.0019153000000000, -0.0000826800000000, -0.0093234500000000 ] - [ 0.0009163200000000, 0.0001222200000000, -0.0090498800000000 ] - [ 0.0019153000000000, 0.0000826800000000, -0.0093234500000000 ] - [ 0.0009163200000000, -0.0001222200000000, -0.0090498800000000 ] - [ -0.0018152200000000, 0.0000967200000000, 0.0101236800000000 ] - [ -0.0018523200000000, -0.0000145900000000, 0.0092920800000000 ] - [ -0.0018152200000000, -0.0000967200000000, 0.0101236800000000 ] - [ -0.0018523200000000, 0.0000145900000000, 0.0092920800000000 ] - [ -0.0021509500000000, 0.0000000000000000, 0.0104955700000000 ] - [ -0.0020882800000000, 0.0000000000000000, 0.0093366500000000 ] - [ -0.0033515300000000, 0.0000171800000000, 0.0001447900000000 ] - [ -0.0032665300000000, -0.0000501400000000, -0.0003681500000000 ] - [ -0.0033515300000000, -0.0000171800000000, 0.0001447900000000 ] - [ -0.0032665300000000, 0.0000501400000000, -0.0003681500000000 ] - [ -0.0034086700000000, 0.0000000000000000, 0.0001448000000000 ] - [ -0.0033812300000000, 0.0000000000000000, -0.0007992300000000 ] - [ 0.0040194200000000, 0.0000000000000000, 0.0003787100000000 ] - [ 0.0026207600000000, 0.0000000000000000, -0.0005422300000000 ] - [ 0.0040226200000000, 0.0000047400000000, -0.0000867400000000 ] - [ 0.0025686300000000, -0.0000375300000000, -0.0005263500000000 ] - [ 0.0040226200000000, -0.0000047400000000, -0.0000867400000000 ] - [ 0.0025686300000000, 0.0000375300000000, -0.0005263500000000 ] - [ 0.0018536700000000, -0.0010727300000000, -0.0002925800000000 ] - [ -0.0035138400000000, 0.0000270900000000, -0.0000337500000000 ] - [ 0.0018536700000000, 0.0010727300000000, -0.0002925800000000 ] - [ -0.0035138400000000, -0.0000270900000000, -0.0000337500000000 ] - [ -0.0019798100000000, 0.0000000000000000, -0.0010001600000000 ] - [ -0.0034639900000000, 0.0000000000000000, -0.0000258700000000 ] - [ 0.0015595000000000, 0.0000000000000000, -0.0009125100000000 ] - [ 0.0016263800000000, 0.0000000000000000, 0.0007096600000000 ] - [ 0.0028595300000000, -0.0002236500000000, 0.0001293000000000 ] - [ 0.0028638000000000, 0.0002679500000000, 0.0005549700000000 ] - [ 0.0028595300000000, 0.0002236500000000, 0.0001293000000000 ] - [ 0.0028638000000000, -0.0002679500000000, 0.0005549700000000 ] - [ -0.0030550900000000, 0.0000000000000000, -0.0014055500000000 ] - [ -0.0028789900000000, 0.0000000000000000, -0.0018423400000000 ] - [ -0.0030841600000000, -0.0001926600000000, -0.0014215800000000 ] - [ -0.0029613500000000, 0.0004271700000000, -0.0019671500000000 ] - [ -0.0030841600000000, 0.0001926600000000, -0.0014215800000000 ] - [ -0.0029613500000000, -0.0004271700000000, -0.0019671500000000 ] - [ 0.0036100000000000, -0.0002277100000000, 0.0020219400000000 ] - [ 0.0017102200000000, -0.0000221000000000, 0.0014384900000000 ] - [ 0.0036100000000000, 0.0002277100000000, 0.0020219400000000 ] - [ 0.0017102200000000, 0.0000221000000000, 0.0014384900000000 ] - [ 0.0028726700000000, 0.0000000000000000, 0.0017465300000000 ] - [ 0.0019301900000000, 0.0000000000000000, 0.0014392900000000 ] - [ -0.0006937700000000, 0.0000000000000000, 0.0016228700000000 ] - [ -0.0029820900000000, 0.0000000000000000, 0.0016109200000000 ] - [ -0.0010073700000000, -0.0000830900000000, 0.0016393800000000 ] - [ -0.0029914800000000, -0.0000063100000000, 0.0016250300000000 ] - [ -0.0010073700000000, 0.0000830900000000, 0.0016393800000000 ] - [ -0.0029914800000000, 0.0000063100000000, 0.0016250300000000 ] - [ 0.0020215400000000, 0.0002194200000000, -0.0017089000000000 ] - [ 0.0018988400000000, -0.0007030800000000, -0.0007921700000000 ] - [ 0.0020215400000000, -0.0002194200000000, -0.0017089000000000 ] - [ 0.0018988400000000, 0.0007030800000000, -0.0007921700000000 ] - [ 0.0022086500000000, 0.0000000000000000, -0.0014680300000000 ] - [ 0.0024875000000000, 0.0000000000000000, -0.0015668200000000 ] - [ 0.0049526300000000, 0.0000000000000000, -0.0106985700000000 ] - [ 0.0038904200000000, 0.0000000000000000, -0.0055213700000000 ] - [ 0.0033926000000000, 0.0025825900000000, -0.0079445900000000 ] - [ 0.0038741300000000, 0.0000923600000000, -0.0056193900000000 ] - [ 0.0033926000000000, -0.0025825900000000, -0.0079445900000000 ] - [ 0.0038741300000000, -0.0000923600000000, -0.0056193900000000 ] - [ -0.0033240400000000, -0.0009996600000000, 0.0066836500000000 ] - [ -0.0018475400000000, 0.0007045700000000, 0.0051341000000000 ] - [ -0.0033240400000000, 0.0009996600000000, 0.0066836500000000 ] - [ -0.0018475400000000, -0.0007045700000000, 0.0051341000000000 ] - [ -0.0033989200000000, 0.0000000000000000, 0.0056337600000000 ] - [ -0.0025640800000000, 0.0000000000000000, 0.0052497100000000 ] - [ 0.0039039900000000, 0.0000000000000000, 0.0054753300000000 ] - [ 0.0037586000000000, 0.0000000000000000, 0.0095433500000000 ] - [ 0.0038870700000000, -0.0000269100000000, 0.0055134200000000 ] - [ 0.0027503400000000, -0.0021161900000000, 0.0075762800000000 ] - [ 0.0038870700000000, 0.0000269100000000, 0.0055134200000000 ] - [ 0.0027503400000000, 0.0021161900000000, 0.0075762800000000 ] - [ -0.0060643300000000, 0.0026395200000000, -0.0077333500000000 ] - [ -0.0020881100000000, -0.0002395900000000, -0.0051487900000000 ] - [ -0.0060643300000000, -0.0026395200000000, -0.0077333500000000 ] - [ -0.0020881100000000, 0.0002395900000000, -0.0051487900000000 ] - [ -0.0039474200000000, 0.0000000000000000, -0.0060374800000000 ] - [ -0.0023621300000000, 0.0000000000000000, -0.0051856300000000 ] - [ -0.0175779200000000, 0.0000000000000000, -0.0030944100000000 ] - [ 0.0021751500000000, 0.0000000000000000, -0.0009835500000000 ] - [ -0.0033271800000000, 0.0001888400000000, -0.0010291400000000 ] - [ 0.0018615000000000, -0.0000030400000000, -0.0009576100000000 ] - [ -0.0033271800000000, -0.0001888400000000, -0.0010291400000000 ] - [ 0.0018615000000000, 0.0000030400000000, -0.0009576100000000 ] - [ 0.0000010600000000, -0.0006548200000000, 0.0008331500000000 ] - [ 0.0007838700000000, 0.0018495900000000, 0.0015693700000000 ] - [ 0.0000010600000000, 0.0006548200000000, 0.0008331500000000 ] - [ 0.0007838700000000, -0.0018495900000000, 0.0015693700000000 ] - [ -0.0007736000000000, 0.0000000000000000, 0.0010525600000000 ] - [ -0.0012497800000000, 0.0000000000000000, 0.0009309800000000 ] - [ 0.0016095900000000, 0.0000000000000000, 0.0008026200000000 ] - [ 0.0016123200000000, 0.0000000000000000, 0.0008716100000000 ] - [ 0.0016563800000000, 0.0000345500000000, 0.0007168000000000 ] - [ 0.0016631900000000, -0.0002481200000000, 0.0009399700000000 ] - [ 0.0016563800000000, -0.0000345500000000, 0.0007168000000000 ] - [ 0.0016631900000000, 0.0002481200000000, 0.0009399700000000 ] - [ -0.0020322700000000, 0.0001143400000000, -0.0010292600000000 ] - [ -0.0006076700000000, -0.0000006900000000, -0.0009936600000000 ] - [ -0.0020322700000000, -0.0001143400000000, -0.0010292600000000 ] - [ -0.0006076700000000, 0.0000006900000000, -0.0009936600000000 ] - [ -0.0019412300000000, 0.0000000000000000, -0.0009508100000000 ] - [ -0.0005139500000000, 0.0000000000000000, -0.0009818600000000 ]- atom: 121 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0017180400000000, -0.0001194900000000, 0.0001653000000000 ] - [ 0.0000356500000000, 0.0000065800000000, 0.0001852500000000 ] - [ 0.0017180400000000, 0.0001194900000000, 0.0001653000000000 ] - [ 0.0000356500000000, -0.0000065800000000, 0.0001852500000000 ] - [ 0.0001637100000000, 0.0000000000000000, 0.0000909200000000 ] - [ 0.0000714600000000, 0.0000000000000000, 0.0001747100000000 ] - [ -0.0009267900000000, 0.0000000000000000, -0.0007620900000000 ] - [ -0.0027374500000000, 0.0000000000000000, 0.0016634200000000 ] - [ -0.0001937300000000, 0.0000200700000000, -0.0000984200000000 ] - [ -0.0000850600000000, 0.0000091600000000, -0.0002453300000000 ] - [ -0.0001937300000000, -0.0000200700000000, -0.0000984200000000 ] - [ -0.0000850600000000, -0.0000091600000000, -0.0002453300000000 ] - [ 0.0002411500000000, 0.0000075400000000, -0.0000896700000000 ] - [ 0.0001741400000000, -0.0000346300000000, -0.0002569800000000 ] - [ 0.0002411500000000, -0.0000075400000000, -0.0000896700000000 ] - [ 0.0001741400000000, 0.0000346300000000, -0.0002569800000000 ] - [ 0.0001344900000000, 0.0000000000000000, -0.0000237400000000 ] - [ 0.0001111600000000, 0.0000000000000000, -0.0003322100000000 ] - [ -0.0000886000000000, 0.0000000000000000, -0.0001974100000000 ] - [ -0.0001055400000000, 0.0000000000000000, 0.0001248000000000 ] - [ -0.0002985700000000, -0.0007196200000000, -0.0001172000000000 ] - [ -0.0001256900000000, -0.0000116400000000, 0.0001207000000000 ] - [ -0.0002985700000000, 0.0007196200000000, -0.0001172000000000 ] - [ -0.0001256900000000, 0.0000116400000000, 0.0001207000000000 ] - [ 0.0023903400000000, 0.0000000000000000, 0.0093160500000000 ] - [ 0.0002432600000000, 0.0000000000000000, 0.0082851000000000 ] - [ 0.0019085400000000, 0.0000904100000000, 0.0094132800000000 ] - [ 0.0009876800000000, -0.0004914400000000, 0.0088984500000000 ] - [ 0.0019085400000000, -0.0000904100000000, 0.0094132800000000 ] - [ 0.0009876800000000, 0.0004914400000000, 0.0088984500000000 ] - [ -0.0067021800000000, -0.0025207700000000, -0.0108988200000000 ] - [ -0.0008692600000000, -0.0000105400000000, -0.0091013600000000 ] - [ -0.0067021800000000, 0.0025207700000000, -0.0108988200000000 ] - [ -0.0008692600000000, 0.0000105400000000, -0.0091013600000000 ] - [ -0.0026280300000000, 0.0000000000000000, -0.0099395200000000 ] - [ -0.0009432700000000, 0.0000000000000000, -0.0090409700000000 ] - [ 0.0010644500000000, 0.0000000000000000, -0.0089265500000000 ] - [ 0.0019541600000000, 0.0000000000000000, -0.0094036100000000 ] - [ 0.0010172800000000, 0.0000885500000000, -0.0090466500000000 ] - [ 0.0020096000000000, -0.0001229700000000, -0.0093284300000000 ] - [ 0.0010172800000000, -0.0000885500000000, -0.0090466500000000 ] - [ 0.0020096000000000, 0.0001229700000000, -0.0093284300000000 ] - [ -0.0011023200000000, -0.0000959300000000, 0.0082570300000000 ] - [ -0.0010678500000000, 0.0000152000000000, 0.0090868400000000 ] - [ -0.0011023200000000, 0.0000959300000000, 0.0082570300000000 ] - [ -0.0010678500000000, -0.0000152000000000, 0.0090868400000000 ] - [ -0.0007730300000000, 0.0000000000000000, 0.0078786900000000 ] - [ -0.0008286000000000, 0.0000000000000000, 0.0090423800000000 ] - [ -0.0027377200000000, -0.0000165500000000, 0.0003789400000000 ] - [ -0.0028248800000000, 0.0000508900000000, 0.0008896200000000 ] - [ -0.0027377200000000, 0.0000165500000000, 0.0003789400000000 ] - [ -0.0028248800000000, -0.0000508900000000, 0.0008896200000000 ] - [ -0.0026707900000000, 0.0000000000000000, 0.0003726000000000 ] - [ -0.0027138400000000, 0.0000000000000000, 0.0013226500000000 ] - [ 0.0020647000000000, 0.0000000000000000, -0.0009055800000000 ] - [ 0.0034711300000000, 0.0000000000000000, 0.0000181700000000 ] - [ 0.0020590700000000, 0.0000013600000000, -0.0004293600000000 ] - [ 0.0035180400000000, 0.0000370500000000, 0.0000076600000000 ] - [ 0.0020590700000000, -0.0000013600000000, -0.0004293600000000 ] - [ 0.0035180400000000, -0.0000370500000000, 0.0000076600000000 ] - [ -0.0078138800000000, 0.0009263500000000, -0.0003483800000000 ] - [ -0.0025717500000000, -0.0000256900000000, -0.0004845000000000 ] - [ -0.0078138800000000, -0.0009263500000000, -0.0003483800000000 ] - [ -0.0025717500000000, 0.0000256900000000, -0.0004845000000000 ] - [ -0.0041068400000000, 0.0000000000000000, 0.0004772700000000 ] - [ -0.0026228600000000, 0.0000000000000000, -0.0004951200000000 ] - [ 0.0045080900000000, 0.0000000000000000, 0.0014024700000000 ] - [ 0.0044708600000000, 0.0000000000000000, -0.0001904100000000 ] - [ 0.0032284300000000, 0.0002215000000000, 0.0003850000000000 ] - [ 0.0032244900000000, -0.0002698100000000, -0.0000352800000000 ] - [ 0.0032284300000000, -0.0002215000000000, 0.0003850000000000 ] - [ 0.0032244900000000, 0.0002698100000000, -0.0000352800000000 ] - [ -0.0017173000000000, 0.0000000000000000, -0.0016322900000000 ] - [ -0.0018916500000000, 0.0000000000000000, -0.0011921100000000 ] - [ -0.0016829000000000, 0.0001845900000000, -0.0016127200000000 ] - [ -0.0018126100000000, -0.0004294200000000, -0.0010674700000000 ] - [ -0.0016829000000000, -0.0001845900000000, -0.0016127200000000 ] - [ -0.0018126100000000, 0.0004294200000000, -0.0010674700000000 ] - [ 0.0011557800000000, 0.0001875500000000, 0.0010574100000000 ] - [ 0.0030646300000000, 0.0000277800000000, 0.0015985200000000 ] - [ 0.0011557800000000, -0.0001875500000000, 0.0010574100000000 ] - [ 0.0030646300000000, -0.0000277800000000, 0.0015985200000000 ] - [ 0.0018979700000000, 0.0000000000000000, 0.0012864200000000 ] - [ 0.0028445500000000, 0.0000000000000000, 0.0015938200000000 ] - [ -0.0040813800000000, 0.0000000000000000, 0.0014178900000000 ] - [ -0.0017890700000000, 0.0000000000000000, 0.0014221300000000 ] - [ -0.0037683000000000, 0.0000756900000000, 0.0014066600000000 ] - [ -0.0017794400000000, 0.0000071100000000, 0.0014083900000000 ] - [ -0.0037683000000000, -0.0000756900000000, 0.0014066600000000 ] - [ -0.0017794400000000, -0.0000071100000000, 0.0014083900000000 ] - [ 0.0027530800000000, -0.0002121300000000, -0.0013301000000000 ] - [ 0.0028758100000000, 0.0007109800000000, -0.0022522300000000 ] - [ 0.0027530800000000, 0.0002121300000000, -0.0013301000000000 ] - [ 0.0028758100000000, -0.0007109800000000, -0.0022522300000000 ] - [ 0.0025692900000000, 0.0000000000000000, -0.0015646900000000 ] - [ 0.0022817200000000, 0.0000000000000000, -0.0014704900000000 ] - [ 0.0010356400000000, 0.0000000000000000, -0.0001837400000000 ] - [ 0.0020793700000000, 0.0000000000000000, -0.0053390600000000 ] - [ 0.0025834100000000, -0.0025844700000000, -0.0029134800000000 ] - [ 0.0020972000000000, -0.0000926000000000, -0.0052393100000000 ] - [ 0.0025834100000000, 0.0025844700000000, -0.0029134800000000 ] - [ 0.0020972000000000, 0.0000926000000000, -0.0052393100000000 ] - [ -0.0026954100000000, 0.0009790700000000, 0.0041865400000000 ] - [ -0.0041248300000000, -0.0007063000000000, 0.0057284300000000 ] - [ -0.0026954100000000, -0.0009790700000000, 0.0041865400000000 ] - [ -0.0041248300000000, 0.0007063000000000, 0.0057284300000000 ] - [ -0.0025819200000000, 0.0000000000000000, 0.0052348600000000 ] - [ -0.0034025600000000, 0.0000000000000000, 0.0056096200000000 ] - [ 0.0020592500000000, 0.0000000000000000, 0.0053814300000000 ] - [ 0.0022065800000000, 0.0000000000000000, 0.0012956700000000 ] - [ 0.0020797600000000, 0.0000242700000000, 0.0053445300000000 ] - [ 0.0032160700000000, 0.0021221700000000, 0.0032797300000000 ] - [ 0.0020797600000000, -0.0000242700000000, 0.0053445300000000 ] - [ 0.0032160700000000, -0.0021221700000000, 0.0032797300000000 ] - [ 0.0001529900000000, -0.0026630300000000, -0.0031147700000000 ] - [ -0.0038788400000000, 0.0002361600000000, -0.0057104300000000 ] - [ 0.0001529900000000, 0.0026630300000000, -0.0031147700000000 ] - [ -0.0038788400000000, -0.0002361600000000, -0.0057104300000000 ] - [ -0.0020040600000000, 0.0000000000000000, -0.0048122300000000 ] - [ -0.0036109600000000, 0.0000000000000000, -0.0056754700000000 ] - [ 0.0201261800000000, 0.0000000000000000, 0.0014474700000000 ] - [ 0.0003406100000000, 0.0000000000000000, -0.0009728500000000 ] - [ 0.0058515700000000, -0.0002103900000000, -0.0009053700000000 ] - [ 0.0006531300000000, 0.0000032600000000, -0.0009986200000000 ] - [ 0.0058515700000000, 0.0002103900000000, -0.0009053700000000 ] - [ 0.0006531300000000, -0.0000032600000000, -0.0009986200000000 ] - [ -0.0025140600000000, 0.0006451000000000, 0.0011129600000000 ] - [ -0.0033184600000000, -0.0018716200000000, 0.0003737100000000 ] - [ -0.0025140600000000, -0.0006451000000000, 0.0011129600000000 ] - [ -0.0033184600000000, 0.0018716200000000, 0.0003737100000000 ] - [ -0.0017446200000000, 0.0000000000000000, 0.0009013800000000 ] - [ -0.0012639300000000, 0.0000000000000000, 0.0010241400000000 ] - [ 0.0009033900000000, 0.0000000000000000, 0.0011551800000000 ] - [ 0.0009062200000000, 0.0000000000000000, 0.0010873500000000 ] - [ 0.0008515700000000, -0.0000331700000000, 0.0012380100000000 ] - [ 0.0008579500000000, 0.0002506500000000, 0.0010175500000000 ] - [ 0.0008515700000000, 0.0000331700000000, 0.0012380100000000 ] - [ 0.0008579500000000, -0.0002506500000000, 0.0010175500000000 ] - [ -0.0004830100000000, -0.0001170300000000, -0.0009380200000000 ] - [ -0.0019084600000000, 0.0000012700000000, -0.0009629900000000 ] - [ -0.0004830100000000, 0.0001170300000000, -0.0009380200000000 ] - [ -0.0019084600000000, -0.0000012700000000, -0.0009629900000000 ] - [ -0.0005747800000000, 0.0000000000000000, -0.0010224400000000 ] - [ -0.0020024300000000, 0.0000000000000000, -0.0009732500000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001830000000000, 0.0002951900000000, 0.0026737800000000 ] - [ 0.0001113100000000, 0.0000183400000000, 0.0001381300000000 ] - [ 0.0000394400000000, 0.0003051000000000, -0.0024226100000000 ] - [ 0.0001133800000000, 0.0000175700000000, 0.0001358200000000 ] - [ 0.0001118500000000, -0.0000094000000000, 0.0001359800000000 ] - [ 0.0001114000000000, -0.0000196500000000, 0.0001412700000000 ] - [ -0.0001135900000000, 0.0002100800000000, -0.0001392900000000 ] - [ -0.0000979200000000, 0.0003406200000000, -0.0001412600000000 ] - [ -0.0000361800000000, -0.0000907200000000, -0.0000840900000000 ] - [ -0.0002860800000000, -0.0001122800000000, 0.0000008000000000 ] - [ -0.0001879200000000, -0.0000903000000000, -0.0001907500000000 ] - [ 0.0000597000000000, -0.0001120800000000, -0.0002747600000000 ] - [ 0.0001929700000000, -0.0000008800000000, -0.0002196900000000 ] - [ -0.0000273800000000, 0.0000022900000000, -0.0002730100000000 ] - [ 0.0000298400000000, 0.0000007300000000, -0.0000532400000000 ] - [ 0.0002513100000000, 0.0000025400000000, -0.0000011700000000 ] - [ 0.0001102000000000, 0.0000153900000000, -0.0001354200000000 ] - [ 0.0001106400000000, 0.0000683600000000, -0.0001357100000000 ] - [ -0.0001116800000000, -0.0016192600000000, 0.0001341800000000 ] - [ -0.0001119900000000, 0.0000356900000000, 0.0001425500000000 ] - [ -0.0000904100000000, 0.0023799500000000, 0.0007458800000000 ] - [ -0.0001155400000000, -0.0000033100000000, 0.0001370900000000 ] - [ -0.0001311400000000, 0.0023930500000000, -0.0004676200000000 ] - [ -0.0001105200000000, -0.0000024700000000, 0.0001381500000000 ] - [ 0.0014573000000000, 0.0001143300000000, 0.0091811000000000 ] - [ 0.0014440100000000, 0.0011827800000000, 0.0091976400000000 ] - [ 0.0013920200000000, -0.0000550400000000, 0.0092045800000000 ] - [ 0.0022003200000000, -0.0005934300000000, 0.0088954200000000 ] - [ 0.0015238000000000, -0.0000553300000000, 0.0091566300000000 ] - [ 0.0007221200000000, -0.0005928300000000, 0.0094635400000000 ] - [ 0.0012086500000000, 0.0030632900000000, -0.0097462400000000 ] - [ -0.0014389800000000, 0.0000425800000000, -0.0091925700000000 ] - [ -0.0042722600000000, 0.0032001700000000, -0.0087330600000000 ] - [ -0.0014806000000000, 0.0000424800000000, -0.0091687800000000 ] - [ -0.0014558700000000, -0.0020949800000000, -0.0091763600000000 ] - [ -0.0014596900000000, -0.0001161600000000, -0.0091814600000000 ] - [ 0.0014558800000000, 0.0009372100000000, -0.0091847600000000 ] - [ 0.0014602900000000, 0.0000748000000000, -0.0091794300000000 ] - [ 0.0007792200000000, -0.0007819900000000, -0.0102162100000000 ] - [ 0.0014622900000000, -0.0000246500000000, -0.0091769100000000 ] - [ 0.0021451200000000, -0.0007818500000000, -0.0081435900000000 ] - [ 0.0014583700000000, -0.0000258400000000, -0.0091825100000000 ] - [ -0.0011718000000000, 0.0005158300000000, 0.0085984200000000 ] - [ -0.0013957500000000, 0.0000405100000000, 0.0090971100000000 ] - [ -0.0017473100000000, 0.0005137000000000, 0.0097674000000000 ] - [ -0.0015226900000000, 0.0000398900000000, 0.0092639600000000 ] - [ -0.0014575900000000, -0.0016472000000000, 0.0091803900000000 ] - [ -0.0014578800000000, -0.0001033800000000, 0.0091815300000000 ] - [ -0.0030899500000000, 0.0000953600000000, 0.0002125900000000 ] - [ -0.0034525400000000, 0.0005401300000000, -0.0003613100000000 ] - [ -0.0030027300000000, 0.0000946000000000, 0.0002827600000000 ] - [ -0.0026296800000000, 0.0005376900000000, 0.0008602000000000 ] - [ -0.0030454100000000, -0.0002505700000000, 0.0002484900000000 ] - [ -0.0030468300000000, -0.0018190500000000, 0.0002478900000000 ] - [ 0.0030482100000000, 0.0010814300000000, -0.0002487900000000 ] - [ 0.0030424500000000, 0.0000539200000000, -0.0002467900000000 ] - [ 0.0034784600000000, -0.0008929500000000, -0.0010162100000000 ] - [ 0.0030199900000000, -0.0000156700000000, -0.0002505900000000 ] - [ 0.0026066700000000, -0.0008960800000000, 0.0005265900000000 ] - [ 0.0030653100000000, -0.0000152900000000, -0.0002439000000000 ] - [ -0.0059252100000000, 0.0028581800000000, -0.0017353100000000 ] - [ -0.0030709400000000, 0.0000457400000000, -0.0002554700000000 ] - [ -0.0000274200000000, 0.0029761200000000, 0.0011447600000000 ] - [ -0.0030175800000000, 0.0000449800000000, -0.0002402400000000 ] - [ -0.0030476200000000, -0.0020906700000000, -0.0002443900000000 ] - [ -0.0030444500000000, -0.0001205900000000, -0.0002475300000000 ] - [ 0.0030484100000000, 0.0008462300000000, 0.0002513700000000 ] - [ 0.0030406400000000, 0.0004684300000000, 0.0002483000000000 ] - [ 0.0025728700000000, -0.0003946100000000, 0.0002509800000000 ] - [ 0.0032764400000000, -0.0002156900000000, 0.0000857000000000 ] - [ 0.0035145600000000, -0.0003931000000000, 0.0002450500000000 ] - [ 0.0028157900000000, -0.0002177200000000, 0.0004103900000000 ] - [ -0.0023908500000000, 0.0003828700000000, -0.0015183300000000 ] - [ -0.0023863000000000, 0.0004495400000000, -0.0015175200000000 ] - [ -0.0031782800000000, -0.0003134800000000, -0.0014834900000000 ] - [ -0.0014781200000000, -0.0003888700000000, -0.0015057600000000 ] - [ -0.0015978600000000, -0.0003120000000000, -0.0015534700000000 ] - [ -0.0032999900000000, -0.0003944000000000, -0.0015313000000000 ] - [ 0.0020260700000000, 0.0014186200000000, -0.0001873400000000 ] - [ 0.0023978900000000, 0.0000258300000000, 0.0014940900000000 ] - [ 0.0027726200000000, 0.0015370600000000, 0.0033847400000000 ] - [ 0.0023777300000000, 0.0000269800000000, 0.0015367000000000 ] - [ 0.0023882900000000, -0.0017316400000000, 0.0015123600000000 ] - [ 0.0023887600000000, -0.0000412300000000, 0.0015151900000000 ] - [ -0.0023878400000000, 0.0014652600000000, 0.0015234300000000 ] - [ -0.0023881500000000, 0.0000054700000000, 0.0015170800000000 ] - [ -0.0024623600000000, -0.0009335200000000, 0.0025831300000000 ] - [ -0.0023767700000000, 0.0000082700000000, 0.0015783900000000 ] - [ -0.0023130000000000, -0.0009301100000000, 0.0004543200000000 ] - [ -0.0024016200000000, 0.0000080400000000, 0.0014567400000000 ] - [ 0.0029204300000000, 0.0001142200000000, -0.0013279600000000 ] - [ 0.0019711800000000, 0.0002478800000000, -0.0015418200000000 ] - [ 0.0018548200000000, 0.0001120800000000, -0.0017080400000000 ] - [ 0.0028035500000000, 0.0002546500000000, -0.0014873500000000 ] - [ 0.0023886900000000, -0.0002187200000000, -0.0015179900000000 ] - [ 0.0023886200000000, -0.0002863100000000, -0.0015194400000000 ] - [ 0.0029881700000000, -0.0073416700000000, -0.0054334000000000 ] - [ 0.0029874800000000, 0.0000047500000000, -0.0054313000000000 ] - [ 0.0043351300000000, 0.0037166600000000, -0.0078957700000000 ] - [ 0.0026632800000000, -0.0000321900000000, -0.0055584600000000 ] - [ 0.0016455100000000, 0.0037102600000000, -0.0029687700000000 ] - [ 0.0033121900000000, -0.0000344800000000, -0.0053036100000000 ] - [ -0.0067657300000000, -0.0007513000000000, 0.0043848100000000 ] - [ -0.0028229800000000, -0.0001368100000000, 0.0053980200000000 ] - [ 0.0008019300000000, -0.0007495200000000, 0.0064744200000000 ] - [ -0.0031468700000000, -0.0001424100000000, 0.0054639900000000 ] - [ -0.0029870900000000, 0.0009384400000000, 0.0054327300000000 ] - [ -0.0029874600000000, 0.0002678700000000, 0.0054311300000000 ] - [ 0.0029881800000000, -0.0000261000000000, 0.0054310500000000 ] - [ 0.0029877100000000, -0.0070888200000000, 0.0054288800000000 ] - [ 0.0032745300000000, -0.0000054800000000, 0.0053284300000000 ] - [ 0.0016775400000000, 0.0037560900000000, 0.0027605500000000 ] - [ 0.0027012100000000, -0.0000062000000000, 0.0055343700000000 ] - [ 0.0042920900000000, 0.0037480500000000, 0.0080992500000000 ] - [ 0.0005470700000000, -0.0008989300000000, -0.0068540400000000 ] - [ -0.0031390800000000, -0.0000397000000000, -0.0053951400000000 ] - [ -0.0065447200000000, -0.0009132000000000, -0.0040184200000000 ] - [ -0.0028334100000000, -0.0000411800000000, -0.0054671500000000 ] - [ -0.0029891000000000, 0.0013182900000000, -0.0054287200000000 ] - [ -0.0029870800000000, 0.0000645100000000, -0.0054305400000000 ] - [ 0.0012613900000000, -0.0286652800000000, -0.0009063600000000 ] - [ 0.0012632900000000, -0.0000623300000000, -0.0009619300000000 ] - [ 0.0010609200000000, 0.0098738500000000, -0.0003716100000000 ] - [ 0.0012657000000000, 0.0000424400000000, -0.0010188300000000 ] - [ 0.0014594100000000, 0.0097654400000000, -0.0015571200000000 ] - [ 0.0012597500000000, 0.0000423500000000, -0.0009071400000000 ] - [ -0.0019125200000000, -0.0003962200000000, 0.0005542600000000 ] - [ 0.0005982800000000, -0.0006857400000000, -0.0004923200000000 ] - [ -0.0006107700000000, -0.0003979000000000, 0.0013722500000000 ] - [ -0.0031245700000000, -0.0006958900000000, 0.0024269100000000 ] - [ -0.0012607400000000, 0.0007176200000000, 0.0009617100000000 ] - [ -0.0012638700000000, 0.0010469900000000, 0.0009610500000000 ] - [ 0.0012649400000000, -0.0004888100000000, 0.0009623600000000 ] - [ 0.0012607700000000, -0.0004881500000000, 0.0009596600000000 ] - [ 0.0015122000000000, 0.0002836600000000, 0.0011892300000000 ] - [ 0.0012273500000000, 0.0002820800000000, 0.0009758000000000 ] - [ 0.0010133800000000, 0.0002806900000000, 0.0007342900000000 ] - [ 0.0012962300000000, 0.0002819600000000, 0.0009437900000000 ] - [ -0.0011470500000000, -0.0009604000000000, -0.0011981300000000 ] - [ -0.0012620900000000, -0.0000184300000000, -0.0009005200000000 ] - [ -0.0013771100000000, -0.0009545600000000, -0.0007281600000000 ] - [ -0.0012609400000000, -0.0000192000000000, -0.0010253000000000 ] - [ -0.0012621100000000, 0.0021251100000000, -0.0009651600000000 ] - [ -0.0012609600000000, 0.0000270200000000, -0.0009628100000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002175500000000, 0.0000132000000000, 0.0016860600000000 ] - [ 0.0001258200000000, 0.0000057200000000, 0.0001378200000000 ] - [ 0.0002175500000000, -0.0000132000000000, 0.0016860600000000 ] - [ 0.0001258200000000, -0.0000057200000000, 0.0001378200000000 ] - [ 0.0001523200000000, 0.0000000000000000, 0.0000056900000000 ] - [ 0.0001319200000000, 0.0000000000000000, 0.0001548800000000 ] - [ -0.0000157400000000, 0.0000000000000000, 0.0001628700000000 ] - [ -0.0013689500000000, 0.0000000000000000, 0.0012654500000000 ] - [ -0.0001750000000000, 0.0000019800000000, -0.0001223300000000 ] - [ -0.0000185200000000, 0.0000391900000000, -0.0001426500000000 ] - [ -0.0001750000000000, -0.0000019800000000, -0.0001223300000000 ] - [ -0.0000185200000000, -0.0000391900000000, -0.0001426500000000 ] - [ 0.0002265200000000, -0.0000203900000000, -0.0001295400000000 ] - [ 0.0000531700000000, -0.0000284300000000, -0.0001622800000000 ] - [ 0.0002265200000000, 0.0000203900000000, -0.0001295400000000 ] - [ 0.0000531700000000, 0.0000284300000000, -0.0001622800000000 ] - [ 0.0002559500000000, 0.0000000000000000, -0.0000910800000000 ] - [ 0.0000430400000000, 0.0000000000000000, -0.0001113300000000 ] - [ -0.0001344900000000, 0.0000000000000000, 0.0016252200000000 ] - [ -0.0000827900000000, 0.0000000000000000, 0.0001372900000000 ] - [ -0.0001072000000000, 0.0024768300000000, 0.0018392000000000 ] - [ -0.0000770400000000, -0.0000211200000000, 0.0001503100000000 ] - [ -0.0001072000000000, -0.0024768300000000, 0.0018392000000000 ] - [ -0.0000770400000000, 0.0000211200000000, 0.0001503100000000 ] - [ 0.0011137200000000, 0.0000000000000000, 0.0093592400000000 ] - [ 0.0024007700000000, 0.0000000000000000, 0.0090668600000000 ] - [ 0.0013616600000000, -0.0000446600000000, 0.0092650700000000 ] - [ 0.0016486000000000, -0.0004851400000000, 0.0099209600000000 ] - [ 0.0013616600000000, 0.0000446600000000, 0.0092650700000000 ] - [ 0.0016486000000000, 0.0004851400000000, 0.0099209600000000 ] - [ 0.0021524700000000, 0.0020797100000000, -0.0072794000000000 ] - [ -0.0014356200000000, 0.0000080800000000, -0.0090689700000000 ] - [ 0.0021524700000000, -0.0020797100000000, -0.0072794000000000 ] - [ -0.0014356200000000, -0.0000080800000000, -0.0090689700000000 ] - [ -0.0010778500000000, 0.0000000000000000, -0.0086936300000000 ] - [ -0.0013925100000000, 0.0000000000000000, -0.0090792200000000 ] - [ 0.0010748500000000, 0.0000000000000000, -0.0101715000000000 ] - [ 0.0015456900000000, 0.0000000000000000, -0.0094240500000000 ] - [ 0.0008965100000000, -0.0006815300000000, -0.0106072000000000 ] - [ 0.0014701900000000, -0.0001164800000000, -0.0093435200000000 ] - [ 0.0008965100000000, 0.0006815300000000, -0.0106072000000000 ] - [ 0.0014701900000000, 0.0001164800000000, -0.0093435200000000 ] - [ -0.0009867400000000, -0.0001919800000000, 0.0083484800000000 ] - [ -0.0015851500000000, 0.0000093400000000, 0.0090977600000000 ] - [ -0.0009867400000000, 0.0001919800000000, 0.0083484800000000 ] - [ -0.0015851500000000, -0.0000093400000000, 0.0090977600000000 ] - [ -0.0010443400000000, 0.0000000000000000, 0.0081241300000000 ] - [ -0.0015245500000000, 0.0000000000000000, 0.0090328500000000 ] - [ -0.0030002200000000, 0.0000050600000000, 0.0001143900000000 ] - [ -0.0036764200000000, -0.0002125300000000, -0.0004973600000000 ] - [ -0.0030002200000000, -0.0000050600000000, 0.0001143900000000 ] - [ -0.0036764200000000, 0.0002125300000000, -0.0004973600000000 ] - [ -0.0029683500000000, 0.0000000000000000, 0.0001026700000000 ] - [ -0.0037614300000000, 0.0000000000000000, -0.0006434500000000 ] - [ 0.0029824300000000, 0.0000000000000000, -0.0014481900000000 ] - [ 0.0029966400000000, 0.0000000000000000, -0.0003707900000000 ] - [ 0.0031194700000000, -0.0008180000000000, -0.0014478800000000 ] - [ 0.0030362400000000, -0.0000614000000000, -0.0003454800000000 ] - [ 0.0031194700000000, 0.0008180000000000, -0.0014478800000000 ] - [ 0.0030362400000000, 0.0000614000000000, -0.0003454800000000 ] - [ -0.0065582600000000, 0.0012263400000000, 0.0005422500000000 ] - [ -0.0031337700000000, 0.0000227900000000, -0.0001602200000000 ] - [ -0.0065582600000000, -0.0012263400000000, 0.0005422500000000 ] - [ -0.0031337700000000, -0.0000227900000000, -0.0001602200000000 ] - [ -0.0034837100000000, 0.0000000000000000, 0.0000212800000000 ] - [ -0.0031692700000000, 0.0000000000000000, -0.0002022700000000 ] - [ 0.0016263500000000, 0.0000000000000000, 0.0003917400000000 ] - [ 0.0039360900000000, 0.0000000000000000, 0.0005118400000000 ] - [ 0.0027124800000000, -0.0003078800000000, 0.0007542600000000 ] - [ 0.0030547300000000, -0.0000331800000000, 0.0003778200000000 ] - [ 0.0027124800000000, 0.0003078800000000, 0.0007542600000000 ] - [ 0.0030547300000000, 0.0000331800000000, 0.0003778200000000 ] - [ -0.0016690400000000, 0.0000000000000000, -0.0014356600000000 ] - [ -0.0031552300000000, 0.0000000000000000, -0.0013145100000000 ] - [ -0.0016620600000000, 0.0001553000000000, -0.0014886900000000 ] - [ -0.0031653400000000, 0.0000377300000000, -0.0012392400000000 ] - [ -0.0016620600000000, -0.0001553000000000, -0.0014886900000000 ] - [ -0.0031653400000000, -0.0000377300000000, -0.0012392400000000 ] - [ 0.0034159900000000, -0.0039217100000000, 0.0053225100000000 ] - [ 0.0024617800000000, 0.0000552900000000, 0.0015471900000000 ] - [ 0.0034159900000000, 0.0039217100000000, 0.0053225100000000 ] - [ 0.0024617800000000, -0.0000552900000000, 0.0015471900000000 ] - [ 0.0025377300000000, 0.0000000000000000, 0.0025599800000000 ] - [ 0.0023738100000000, 0.0000000000000000, 0.0015657500000000 ] - [ -0.0022092300000000, 0.0000000000000000, 0.0004130500000000 ] - [ -0.0023922700000000, 0.0000000000000000, 0.0014752800000000 ] - [ -0.0023510800000000, 0.0006402900000000, 0.0002947100000000 ] - [ -0.0023759300000000, -0.0000271400000000, 0.0014585700000000 ] - [ -0.0023510800000000, -0.0006402900000000, 0.0002947100000000 ] - [ -0.0023759300000000, 0.0000271400000000, 0.0014585700000000 ] - [ 0.0017562300000000, 0.0001081900000000, -0.0020158400000000 ] - [ 0.0032256000000000, 0.0002969100000000, -0.0022413500000000 ] - [ 0.0017562300000000, -0.0001081900000000, -0.0020158400000000 ] - [ 0.0032256000000000, -0.0002969100000000, -0.0022413500000000 ] - [ 0.0022567900000000, 0.0000000000000000, -0.0016284300000000 ] - [ 0.0025129200000000, 0.0000000000000000, -0.0016029000000000 ] - [ -0.0007696700000000, 0.0000000000000000, -0.0018971800000000 ] - [ 0.0032750800000000, 0.0000000000000000, -0.0054285300000000 ] - [ 0.0017184600000000, -0.0018711100000000, -0.0034873500000000 ] - [ 0.0032212700000000, 0.0000345700000000, -0.0053837900000000 ] - [ 0.0017184600000000, 0.0018711100000000, -0.0034873500000000 ] - [ 0.0032212700000000, -0.0000345700000000, -0.0053837900000000 ] - [ 0.0009421800000000, -0.0003136100000000, 0.0065920400000000 ] - [ -0.0034883700000000, -0.0004377100000000, 0.0055039000000000 ] - [ 0.0009421800000000, 0.0003136100000000, 0.0065920400000000 ] - [ -0.0034883700000000, 0.0004377100000000, 0.0055039000000000 ] - [ -0.0023290000000000, 0.0000000000000000, 0.0051630200000000 ] - [ -0.0030448300000000, 0.0000000000000000, 0.0054158200000000 ] - [ 0.0026355200000000, 0.0000000000000000, 0.0054697300000000 ] - [ 0.0065877000000000, 0.0000000000000000, 0.0090724400000000 ] - [ 0.0026555600000000, 0.0000545500000000, 0.0054515000000000 ] - [ 0.0042262300000000, -0.0017810500000000, 0.0073881700000000 ] - [ 0.0026555600000000, -0.0000545500000000, 0.0054515000000000 ] - [ 0.0042262300000000, 0.0017810500000000, 0.0073881700000000 ] - [ -0.0059272400000000, -0.0013089600000000, -0.0033159900000000 ] - [ -0.0028214200000000, -0.0001155100000000, -0.0054047400000000 ] - [ -0.0059272400000000, 0.0013089600000000, -0.0033159900000000 ] - [ -0.0028214200000000, 0.0001155100000000, -0.0054047400000000 ] - [ -0.0037416200000000, 0.0000000000000000, -0.0056831500000000 ] - [ -0.0029675100000000, 0.0000000000000000, -0.0054340000000000 ] - [ -0.0010230200000000, 0.0000000000000000, -0.0254542000000000 ] - [ 0.0012542400000000, 0.0000000000000000, -0.0012693900000000 ] - [ 0.0011979000000000, -0.0006069600000000, -0.0055721200000000 ] - [ 0.0012805100000000, 0.0000582400000000, -0.0011321200000000 ] - [ 0.0011979000000000, 0.0006069600000000, -0.0055721200000000 ] - [ 0.0012805100000000, -0.0000582400000000, -0.0011321200000000 ] - [ -0.0014012700000000, -0.0004122900000000, 0.0000484000000000 ] - [ -0.0006622200000000, -0.0014617900000000, -0.0014781600000000 ] - [ -0.0014012700000000, 0.0004122900000000, 0.0000484000000000 ] - [ -0.0006622200000000, 0.0014617900000000, -0.0014781600000000 ] - [ -0.0011836300000000, 0.0000000000000000, 0.0004635400000000 ] - [ -0.0013083100000000, 0.0000000000000000, 0.0003144100000000 ] - [ 0.0013683500000000, 0.0000000000000000, 0.0017570700000000 ] - [ 0.0014352800000000, 0.0000000000000000, 0.0017560900000000 ] - [ 0.0012979000000000, 0.0000196800000000, 0.0016608600000000 ] - [ 0.0015210800000000, 0.0002284700000000, 0.0016596900000000 ] - [ 0.0012979000000000, -0.0000196800000000, 0.0016608600000000 ] - [ 0.0015210800000000, -0.0002284700000000, 0.0016596900000000 ] - [ -0.0012121600000000, 0.0002289500000000, 0.0014524500000000 ] - [ -0.0012415000000000, -0.0000635400000000, -0.0007730700000000 ] - [ -0.0012121600000000, -0.0002289500000000, 0.0014524500000000 ] - [ -0.0012415000000000, 0.0000635400000000, -0.0007730700000000 ] - [ -0.0012927800000000, 0.0000000000000000, 0.0012213100000000 ] - [ -0.0012541300000000, 0.0000000000000000, -0.0007762200000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000192700000000, -0.0000202400000000, -0.0013881400000000 ] - [ 0.0001111900000000, -0.0000049800000000, 0.0001554100000000 ] - [ 0.0000192700000000, 0.0000202400000000, -0.0013881400000000 ] - [ 0.0001111900000000, 0.0000049800000000, 0.0001554100000000 ] - [ 0.0000850600000000, 0.0000000000000000, 0.0002962800000000 ] - [ 0.0001046400000000, 0.0000000000000000, 0.0001405900000000 ] - [ -0.0002279400000000, 0.0000000000000000, -0.0004671700000000 ] - [ 0.0011354900000000, 0.0000000000000000, -0.0015607200000000 ] - [ -0.0000631400000000, -0.0000027400000000, -0.0001811000000000 ] - [ -0.0002187900000000, -0.0000393100000000, -0.0001581600000000 ] - [ -0.0000631400000000, 0.0000027400000000, -0.0001811000000000 ] - [ -0.0002187900000000, 0.0000393100000000, -0.0001581600000000 ] - [ 0.0000085100000000, 0.0000199800000000, -0.0001598200000000 ] - [ 0.0001813700000000, 0.0000278100000000, -0.0001345400000000 ] - [ 0.0000085100000000, -0.0000199800000000, -0.0001598200000000 ] - [ 0.0001813700000000, -0.0000278100000000, -0.0001345400000000 ] - [ -0.0000221400000000, 0.0000000000000000, -0.0002056700000000 ] - [ 0.0001941500000000, 0.0000000000000000, -0.0001777400000000 ] - [ -0.0001053700000000, 0.0000000000000000, -0.0012988900000000 ] - [ -0.0001506700000000, 0.0000000000000000, 0.0001576200000000 ] - [ -0.0001339600000000, -0.0024684600000000, -0.0015108200000000 ] - [ -0.0001565200000000, 0.0000205000000000, 0.0001462400000000 ] - [ -0.0001339600000000, 0.0024684600000000, -0.0015108200000000 ] - [ -0.0001565200000000, -0.0000205000000000, 0.0001462400000000 ] - [ 0.0018073500000000, 0.0000000000000000, 0.0090257900000000 ] - [ 0.0004926800000000, 0.0000000000000000, 0.0093355100000000 ] - [ 0.0015514000000000, 0.0000442100000000, 0.0091249900000000 ] - [ 0.0012791900000000, 0.0004802700000000, 0.0084656200000000 ] - [ 0.0015514000000000, -0.0000442100000000, 0.0091249900000000 ] - [ 0.0012791900000000, -0.0004802700000000, 0.0084656200000000 ] - [ -0.0051841500000000, -0.0022029400000000, -0.0111896300000000 ] - [ -0.0014827700000000, -0.0000088100000000, -0.0093157400000000 ] - [ -0.0051841500000000, 0.0022029400000000, -0.0111896300000000 ] - [ -0.0014827700000000, 0.0000088100000000, -0.0093157400000000 ] - [ -0.0018321600000000, 0.0000000000000000, -0.0096895800000000 ] - [ -0.0015271500000000, 0.0000000000000000, -0.0093027100000000 ] - [ 0.0018347200000000, 0.0000000000000000, -0.0082240000000000 ] - [ 0.0013771900000000, 0.0000000000000000, -0.0089605400000000 ] - [ 0.0020120500000000, 0.0006768600000000, -0.0077831100000000 ] - [ 0.0014516200000000, 0.0001161800000000, -0.0090426000000000 ] - [ 0.0020120500000000, -0.0006768600000000, -0.0077831100000000 ] - [ 0.0014516200000000, -0.0001161800000000, -0.0090426000000000 ] - [ -0.0019358100000000, 0.0001922300000000, 0.0100268100000000 ] - [ -0.0013321800000000, -0.0000087400000000, 0.0092895800000000 ] - [ -0.0019358100000000, -0.0001922300000000, 0.0100268100000000 ] - [ -0.0013321800000000, 0.0000087400000000, 0.0092895800000000 ] - [ -0.0018634700000000, 0.0000000000000000, 0.0102444200000000 ] - [ -0.0013958900000000, 0.0000000000000000, 0.0093522200000000 ] - [ -0.0030883400000000, -0.0000041900000000, 0.0004137900000000 ] - [ -0.0024242800000000, 0.0002132100000000, 0.0010253000000000 ] - [ -0.0030883400000000, 0.0000041900000000, 0.0004137900000000 ] - [ -0.0024242800000000, -0.0002132100000000, 0.0010253000000000 ] - [ -0.0031282000000000, 0.0000000000000000, 0.0004304900000000 ] - [ -0.0023424500000000, 0.0000000000000000, 0.0011605500000000 ] - [ 0.0031203300000000, 0.0000000000000000, 0.0009087400000000 ] - [ 0.0030948500000000, 0.0000000000000000, -0.0001604900000000 ] - [ 0.0029833100000000, 0.0008134800000000, 0.0009113400000000 ] - [ 0.0030565500000000, 0.0000614100000000, -0.0001861600000000 ] - [ 0.0029833100000000, -0.0008134800000000, 0.0009113400000000 ] - [ 0.0030565500000000, -0.0000614100000000, -0.0001861600000000 ] - [ 0.0005591400000000, -0.0013263000000000, -0.0011426800000000 ] - [ -0.0029625600000000, -0.0000215900000000, -0.0003701500000000 ] - [ 0.0005591400000000, 0.0013263000000000, -0.0011426800000000 ] - [ -0.0029625600000000, 0.0000215900000000, -0.0003701500000000 ] - [ -0.0026176800000000, 0.0000000000000000, -0.0005520000000000 ] - [ -0.0029253800000000, 0.0000000000000000, -0.0003275600000000 ] - [ 0.0044576100000000, 0.0000000000000000, 0.0001430700000000 ] - [ 0.0021632100000000, 0.0000000000000000, 0.0000182100000000 ] - [ 0.0033825300000000, 0.0003041200000000, -0.0002154900000000 ] - [ 0.0030351700000000, 0.0000324100000000, 0.0001511600000000 ] - [ 0.0033825300000000, -0.0003041200000000, -0.0002154900000000 ] - [ 0.0030351700000000, -0.0000324100000000, 0.0001511600000000 ] - [ -0.0031013300000000, 0.0000000000000000, -0.0016103100000000 ] - [ -0.0016184000000000, 0.0000000000000000, -0.0017406100000000 ] - [ -0.0031038500000000, -0.0001467300000000, -0.0015611700000000 ] - [ -0.0016122400000000, -0.0000407100000000, -0.0018136800000000 ] - [ -0.0031038500000000, 0.0001467300000000, -0.0015611700000000 ] - [ -0.0016122400000000, 0.0000407100000000, -0.0018136800000000 ] - [ 0.0013985400000000, 0.0037175900000000, -0.0020800300000000 ] - [ 0.0023107800000000, -0.0000560800000000, 0.0015024700000000 ] - [ 0.0013985400000000, -0.0037175900000000, -0.0020800300000000 ] - [ 0.0023107800000000, 0.0000560800000000, 0.0015024700000000 ] - [ 0.0022361000000000, 0.0000000000000000, 0.0005087200000000 ] - [ 0.0023982700000000, 0.0000000000000000, 0.0014850000000000 ] - [ -0.0025669600000000, 0.0000000000000000, 0.0026271800000000 ] - [ -0.0023786400000000, 0.0000000000000000, 0.0015790400000000 ] - [ -0.0024219700000000, -0.0006393400000000, 0.0027572200000000 ] - [ -0.0023957200000000, 0.0000249300000000, 0.0015938900000000 ] - [ -0.0024219700000000, 0.0006393400000000, 0.0027572200000000 ] - [ -0.0023957200000000, -0.0000249300000000, 0.0015938900000000 ] - [ 0.0030101800000000, -0.0001147300000000, -0.0010419400000000 ] - [ 0.0015514000000000, -0.0002953500000000, -0.0008083000000000 ] - [ 0.0030101800000000, 0.0001147300000000, -0.0010419400000000 ] - [ 0.0015514000000000, 0.0002953500000000, -0.0008083000000000 ] - [ 0.0025128400000000, 0.0000000000000000, -0.0014339600000000 ] - [ 0.0022610900000000, 0.0000000000000000, -0.0014462900000000 ] - [ 0.0067649500000000, 0.0000000000000000, -0.0089590500000000 ] - [ 0.0026989700000000, 0.0000000000000000, -0.0054361700000000 ] - [ 0.0042509400000000, 0.0018579500000000, -0.0073561000000000 ] - [ 0.0027521300000000, -0.0000350100000000, -0.0054795900000000 ] - [ 0.0042509400000000, -0.0018579500000000, -0.0073561000000000 ] - [ 0.0027521300000000, 0.0000350100000000, -0.0054795900000000 ] - [ -0.0068892900000000, 0.0003067600000000, 0.0042735600000000 ] - [ -0.0024797800000000, 0.0004358900000000, 0.0053607200000000 ] - [ -0.0068892900000000, -0.0003067600000000, 0.0042735600000000 ] - [ -0.0024797800000000, -0.0004358900000000, 0.0053607200000000 ] - [ -0.0036381200000000, 0.0000000000000000, 0.0056993600000000 ] - [ -0.0029250000000000, 0.0000000000000000, 0.0054479800000000 ] - [ 0.0033353100000000, 0.0000000000000000, 0.0053927500000000 ] - [ -0.0006492700000000, 0.0000000000000000, 0.0017899800000000 ] - [ 0.0033092200000000, -0.0000522400000000, 0.0054099300000000 ] - [ 0.0017404700000000, 0.0017636500000000, 0.0034903900000000 ] - [ 0.0033092200000000, 0.0000522400000000, 0.0054099300000000 ] - [ 0.0017404700000000, -0.0017636500000000, 0.0034903900000000 ] - [ -0.0000577100000000, 0.0013004300000000, -0.0075374200000000 ] - [ -0.0031506000000000, 0.0001129800000000, -0.0054584900000000 ] - [ -0.0000577100000000, -0.0013004300000000, -0.0075374200000000 ] - [ -0.0031506000000000, -0.0001129800000000, -0.0054584900000000 ] - [ -0.0022202700000000, 0.0000000000000000, -0.0051787100000000 ] - [ -0.0030067100000000, 0.0000000000000000, -0.0054272100000000 ] - [ 0.0035147500000000, 0.0000000000000000, 0.0233817000000000 ] - [ 0.0012593200000000, 0.0000000000000000, -0.0006807100000000 ] - [ 0.0013178300000000, 0.0005800300000000, 0.0035960800000000 ] - [ 0.0012337600000000, -0.0000566300000000, -0.0008157100000000 ] - [ 0.0013178300000000, -0.0005800300000000, 0.0035960800000000 ] - [ 0.0012337600000000, 0.0000566300000000, -0.0008157100000000 ] - [ -0.0011142700000000, 0.0004070400000000, 0.0018953500000000 ] - [ -0.0018540100000000, 0.0014556500000000, 0.0034056900000000 ] - [ -0.0011142700000000, -0.0004070400000000, 0.0018953500000000 ] - [ -0.0018540100000000, -0.0014556500000000, 0.0034056900000000 ] - [ -0.0013295700000000, 0.0000000000000000, 0.0014790900000000 ] - [ -0.0012092600000000, 0.0000000000000000, 0.0016222000000000 ] - [ 0.0011479700000000, 0.0000000000000000, 0.0001950400000000 ] - [ 0.0010811600000000, 0.0000000000000000, 0.0001959400000000 ] - [ 0.0012157200000000, -0.0000149800000000, 0.0002941800000000 ] - [ 0.0009987000000000, -0.0002270100000000, 0.0002938600000000 ] - [ 0.0012157200000000, 0.0000149800000000, 0.0002941800000000 ] - [ 0.0009987000000000, 0.0002270100000000, 0.0002938600000000 ] - [ -0.0012987700000000, -0.0002391500000000, -0.0033989900000000 ] - [ -0.0012707900000000, 0.0000623900000000, -0.0011733100000000 ] - [ -0.0012987700000000, 0.0002391500000000, -0.0033989900000000 ] - [ -0.0012707900000000, -0.0000623900000000, -0.0011733100000000 ] - [ -0.0012158800000000, 0.0000000000000000, -0.0031706200000000 ] - [ -0.0012590600000000, 0.0000000000000000, -0.0011681100000000 ]