# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/8eb25b63-cada-43fa-b696-c7064cbbabee/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 LuCuS2 / Pnma (62) / materials id 12457](https://mdr.nims.go.jp/datasets/f77063ee-85b0-4808-8095-f696b45bb05e) ## 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:- [ 1, 0, 0 ]- [ 0, 4, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 12.937028820000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 3.829678850000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 6.104313820000000 ] # c points: - symbol: S # 1 coordinates: [ 0.292664850000000, 0.750000000000000, 0.760179110000000 ] mass: 32.065000 - symbol: S # 2 coordinates: [ 0.707335150000000, 0.250000000000000, 0.239820890000000 ] mass: 32.065000 - symbol: S # 3 coordinates: [ 0.207335150000000, 0.250000000000000, 0.260179110000000 ] mass: 32.065000 - symbol: S # 4 coordinates: [ 0.792664850000000, 0.750000000000000, 0.739820890000000 ] mass: 32.065000 - symbol: S # 5 coordinates: [ 0.457213620000000, 0.750000000000000, 0.244267260000000 ] mass: 32.065000 - symbol: S # 6 coordinates: [ 0.957213620000000, 0.750000000000000, 0.255732740000000 ] mass: 32.065000 - symbol: S # 7 coordinates: [ 0.042786380000000, 0.250000000000000, 0.744267260000000 ] mass: 32.065000 - symbol: S # 8 coordinates: [ 0.542786380000000, 0.250000000000000, 0.755732740000000 ] mass: 32.065000 - symbol: Cu # 9 coordinates: [ 0.456151260000000, 0.750000000000000, 0.625863170000000 ] mass: 63.546000 - symbol: Cu # 10 coordinates: [ 0.043848740000000, 0.250000000000000, 0.125863170000000 ] mass: 63.546000 - symbol: Cu # 11 coordinates: [ 0.543848740000000, 0.250000000000000, 0.374136830000000 ] mass: 63.546000 - symbol: Cu # 12 coordinates: [ 0.956151260000000, 0.750000000000000, 0.874136830000000 ] mass: 63.546000 - symbol: Lu # 13 coordinates: [ 0.632452960000000, 0.750000000000000, 0.005638310000000 ] mass: 174.966800 - symbol: Lu # 14 coordinates: [ 0.367547040000000, 0.250000000000000, 0.994361690000000 ] mass: 174.966800 - symbol: Lu # 15 coordinates: [ 0.867547040000000, 0.250000000000000, 0.505638310000000 ] mass: 174.966800 - symbol: Lu # 16 coordinates: [ 0.132452960000000, 0.750000000000000, 0.494361690000000 ] mass: 174.966800 reciprocal_lattice: # without 2pi - [ 0.077297501142925, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.261118500837218, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.163818576417816 ] # c*unit_cell: lattice: - [ 12.937028820000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 3.829678850000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 6.104313820000000 ] # c points: - symbol: S # 1 coordinates: [ 0.292664850000000, 0.750000000000000, 0.760179110000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 2 coordinates: [ 0.707335150000000, 0.250000000000000, 0.239820890000000 ] mass: 32.065000 reduced_to: 2 - symbol: S # 3 coordinates: [ 0.207335150000000, 0.250000000000000, 0.260179110000000 ] mass: 32.065000 reduced_to: 3 - symbol: S # 4 coordinates: [ 0.792664850000000, 0.750000000000000, 0.739820890000000 ] mass: 32.065000 reduced_to: 4 - symbol: S # 5 coordinates: [ 0.457213620000000, 0.750000000000000, 0.244267260000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 6 coordinates: [ 0.957213620000000, 0.750000000000000, 0.255732740000000 ] mass: 32.065000 reduced_to: 6 - symbol: S # 7 coordinates: [ 0.042786380000000, 0.250000000000000, 0.744267260000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 8 coordinates: [ 0.542786380000000, 0.250000000000000, 0.755732740000000 ] mass: 32.065000 reduced_to: 8 - symbol: Cu # 9 coordinates: [ 0.456151260000000, 0.750000000000000, 0.625863170000000 ] mass: 63.546000 reduced_to: 9 - symbol: Cu # 10 coordinates: [ 0.043848740000000, 0.250000000000000, 0.125863170000000 ] mass: 63.546000 reduced_to: 10 - symbol: Cu # 11 coordinates: [ 0.543848740000000, 0.250000000000000, 0.374136830000000 ] mass: 63.546000 reduced_to: 11 - symbol: Cu # 12 coordinates: [ 0.956151260000000, 0.750000000000000, 0.874136830000000 ] mass: 63.546000 reduced_to: 12 - symbol: Lu # 13 coordinates: [ 0.632452960000000, 0.750000000000000, 0.005638310000000 ] mass: 174.966800 reduced_to: 13 - symbol: Lu # 14 coordinates: [ 0.367547040000000, 0.250000000000000, 0.994361690000000 ] mass: 174.966800 reduced_to: 14 - symbol: Lu # 15 coordinates: [ 0.867547040000000, 0.250000000000000, 0.505638310000000 ] mass: 174.966800 reduced_to: 15 - symbol: Lu # 16 coordinates: [ 0.132452960000000, 0.750000000000000, 0.494361690000000 ] mass: 174.966800 reduced_to: 16supercell: lattice: - [ 12.937028820000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 15.318715400000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.208627640000000 ] # c points: - symbol: S # 1 coordinates: [ 0.292664850000000, 0.187500000000000, 0.380089555000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 2 coordinates: [ 0.292664850000000, 0.437500000000000, 0.380089555000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 3 coordinates: [ 0.292664850000000, 0.687500000000000, 0.380089555000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 4 coordinates: [ 0.292664850000000, 0.937500000000000, 0.380089555000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 5 coordinates: [ 0.292664850000000, 0.187500000000000, 0.880089555000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 6 coordinates: [ 0.292664850000000, 0.437500000000000, 0.880089555000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 7 coordinates: [ 0.292664850000000, 0.687500000000000, 0.880089555000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 8 coordinates: [ 0.292664850000000, 0.937500000000000, 0.880089555000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 9 coordinates: [ 0.707335150000000, 0.062500000000000, 0.119910445000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 10 coordinates: [ 0.707335150000000, 0.312500000000000, 0.119910445000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 11 coordinates: [ 0.707335150000000, 0.562500000000000, 0.119910445000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 12 coordinates: [ 0.707335150000000, 0.812500000000000, 0.119910445000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 13 coordinates: [ 0.707335150000000, 0.062500000000000, 0.619910445000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 14 coordinates: [ 0.707335150000000, 0.312500000000000, 0.619910445000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 15 coordinates: [ 0.707335150000000, 0.562500000000000, 0.619910445000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 16 coordinates: [ 0.707335150000000, 0.812500000000000, 0.619910445000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 17 coordinates: [ 0.207335150000000, 0.062500000000000, 0.130089555000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 18 coordinates: [ 0.207335150000000, 0.312500000000000, 0.130089555000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 19 coordinates: [ 0.207335150000000, 0.562500000000000, 0.130089555000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 20 coordinates: [ 0.207335150000000, 0.812500000000000, 0.130089555000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 21 coordinates: [ 0.207335150000000, 0.062500000000000, 0.630089555000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 22 coordinates: [ 0.207335150000000, 0.312500000000000, 0.630089555000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 23 coordinates: [ 0.207335150000000, 0.562500000000000, 0.630089555000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 24 coordinates: [ 0.207335150000000, 0.812500000000000, 0.630089555000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 25 coordinates: [ 0.792664850000000, 0.187500000000000, 0.369910445000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 26 coordinates: [ 0.792664850000000, 0.437500000000000, 0.369910445000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 27 coordinates: [ 0.792664850000000, 0.687500000000000, 0.369910445000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 28 coordinates: [ 0.792664850000000, 0.937500000000000, 0.369910445000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 29 coordinates: [ 0.792664850000000, 0.187500000000000, 0.869910445000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 30 coordinates: [ 0.792664850000000, 0.437500000000000, 0.869910445000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 31 coordinates: [ 0.792664850000000, 0.687500000000000, 0.869910445000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 32 coordinates: [ 0.792664850000000, 0.937500000000000, 0.869910445000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 33 coordinates: [ 0.457213620000000, 0.187500000000000, 0.122133630000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 34 coordinates: [ 0.457213620000000, 0.437500000000000, 0.122133630000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 35 coordinates: [ 0.457213620000000, 0.687500000000000, 0.122133630000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 36 coordinates: [ 0.457213620000000, 0.937500000000000, 0.122133630000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 37 coordinates: [ 0.457213620000000, 0.187500000000000, 0.622133630000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 38 coordinates: [ 0.457213620000000, 0.437500000000000, 0.622133630000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 39 coordinates: [ 0.457213620000000, 0.687500000000000, 0.622133630000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 40 coordinates: [ 0.457213620000000, 0.937500000000000, 0.622133630000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 41 coordinates: [ 0.957213620000000, 0.187500000000000, 0.127866370000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 42 coordinates: [ 0.957213620000000, 0.437500000000000, 0.127866370000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 43 coordinates: [ 0.957213620000000, 0.687500000000000, 0.127866370000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 44 coordinates: [ 0.957213620000000, 0.937500000000000, 0.127866370000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 45 coordinates: [ 0.957213620000000, 0.187500000000000, 0.627866370000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 46 coordinates: [ 0.957213620000000, 0.437500000000000, 0.627866370000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 47 coordinates: [ 0.957213620000000, 0.687500000000000, 0.627866370000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 48 coordinates: [ 0.957213620000000, 0.937500000000000, 0.627866370000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 49 coordinates: [ 0.042786380000000, 0.062500000000000, 0.372133630000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 50 coordinates: [ 0.042786380000000, 0.312500000000000, 0.372133630000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 51 coordinates: [ 0.042786380000000, 0.562500000000000, 0.372133630000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 52 coordinates: [ 0.042786380000000, 0.812500000000000, 0.372133630000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 53 coordinates: [ 0.042786380000000, 0.062500000000000, 0.872133630000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 54 coordinates: [ 0.042786380000000, 0.312500000000000, 0.872133630000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 55 coordinates: [ 0.042786380000000, 0.562500000000000, 0.872133630000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 56 coordinates: [ 0.042786380000000, 0.812500000000000, 0.872133630000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 57 coordinates: [ 0.542786380000000, 0.062500000000000, 0.377866370000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 58 coordinates: [ 0.542786380000000, 0.312500000000000, 0.377866370000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 59 coordinates: [ 0.542786380000000, 0.562500000000000, 0.377866370000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 60 coordinates: [ 0.542786380000000, 0.812500000000000, 0.377866370000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 61 coordinates: [ 0.542786380000000, 0.062500000000000, 0.877866370000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 62 coordinates: [ 0.542786380000000, 0.312500000000000, 0.877866370000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 63 coordinates: [ 0.542786380000000, 0.562500000000000, 0.877866370000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 64 coordinates: [ 0.542786380000000, 0.812500000000000, 0.877866370000000 ] mass: 32.065000 reduced_to: 57 - symbol: Cu # 65 coordinates: [ 0.456151260000000, 0.187500000000000, 0.312931585000000 ] mass: 63.546000 reduced_to: 65 - symbol: Cu # 66 coordinates: [ 0.456151260000000, 0.437500000000000, 0.312931585000000 ] mass: 63.546000 reduced_to: 65 - symbol: Cu # 67 coordinates: [ 0.456151260000000, 0.687500000000000, 0.312931585000000 ] mass: 63.546000 reduced_to: 65 - symbol: Cu # 68 coordinates: [ 0.456151260000000, 0.937500000000000, 0.312931585000000 ] mass: 63.546000 reduced_to: 65 - symbol: Cu # 69 coordinates: [ 0.456151260000000, 0.187500000000000, 0.812931585000000 ] mass: 63.546000 reduced_to: 65 - symbol: Cu # 70 coordinates: [ 0.456151260000000, 0.437500000000000, 0.812931585000000 ] mass: 63.546000 reduced_to: 65 - symbol: Cu # 71 coordinates: [ 0.456151260000000, 0.687500000000000, 0.812931585000000 ] mass: 63.546000 reduced_to: 65 - symbol: Cu # 72 coordinates: [ 0.456151260000000, 0.937500000000000, 0.812931585000000 ] mass: 63.546000 reduced_to: 65 - symbol: Cu # 73 coordinates: [ 0.043848740000000, 0.062500000000000, 0.062931585000000 ] mass: 63.546000 reduced_to: 73 - symbol: Cu # 74 coordinates: [ 0.043848740000000, 0.312500000000000, 0.062931585000000 ] mass: 63.546000 reduced_to: 73 - symbol: Cu # 75 coordinates: [ 0.043848740000000, 0.562500000000000, 0.062931585000000 ] mass: 63.546000 reduced_to: 73 - symbol: Cu # 76 coordinates: [ 0.043848740000000, 0.812500000000000, 0.062931585000000 ] mass: 63.546000 reduced_to: 73 - symbol: Cu # 77 coordinates: [ 0.043848740000000, 0.062500000000000, 0.562931585000000 ] mass: 63.546000 reduced_to: 73 - symbol: Cu # 78 coordinates: [ 0.043848740000000, 0.312500000000000, 0.562931585000000 ] mass: 63.546000 reduced_to: 73 - symbol: Cu # 79 coordinates: [ 0.043848740000000, 0.562500000000000, 0.562931585000000 ] mass: 63.546000 reduced_to: 73 - symbol: Cu # 80 coordinates: [ 0.043848740000000, 0.812500000000000, 0.562931585000000 ] mass: 63.546000 reduced_to: 73 - symbol: Cu # 81 coordinates: [ 0.543848740000000, 0.062500000000000, 0.187068415000000 ] mass: 63.546000 reduced_to: 81 - symbol: Cu # 82 coordinates: [ 0.543848740000000, 0.312500000000000, 0.187068415000000 ] mass: 63.546000 reduced_to: 81 - symbol: Cu # 83 coordinates: [ 0.543848740000000, 0.562500000000000, 0.187068415000000 ] mass: 63.546000 reduced_to: 81 - symbol: Cu # 84 coordinates: [ 0.543848740000000, 0.812500000000000, 0.187068415000000 ] mass: 63.546000 reduced_to: 81 - symbol: Cu # 85 coordinates: [ 0.543848740000000, 0.062500000000000, 0.687068415000000 ] mass: 63.546000 reduced_to: 81 - symbol: Cu # 86 coordinates: [ 0.543848740000000, 0.312500000000000, 0.687068415000000 ] mass: 63.546000 reduced_to: 81 - symbol: Cu # 87 coordinates: [ 0.543848740000000, 0.562500000000000, 0.687068415000000 ] mass: 63.546000 reduced_to: 81 - symbol: Cu # 88 coordinates: [ 0.543848740000000, 0.812500000000000, 0.687068415000000 ] mass: 63.546000 reduced_to: 81 - symbol: Cu # 89 coordinates: [ 0.956151260000000, 0.187500000000000, 0.437068415000000 ] mass: 63.546000 reduced_to: 89 - symbol: Cu # 90 coordinates: [ 0.956151260000000, 0.437500000000000, 0.437068415000000 ] mass: 63.546000 reduced_to: 89 - symbol: Cu # 91 coordinates: [ 0.956151260000000, 0.687500000000000, 0.437068415000000 ] mass: 63.546000 reduced_to: 89 - symbol: Cu # 92 coordinates: [ 0.956151260000000, 0.937500000000000, 0.437068415000000 ] mass: 63.546000 reduced_to: 89 - symbol: Cu # 93 coordinates: [ 0.956151260000000, 0.187500000000000, 0.937068415000000 ] mass: 63.546000 reduced_to: 89 - symbol: Cu # 94 coordinates: [ 0.956151260000000, 0.437500000000000, 0.937068415000000 ] mass: 63.546000 reduced_to: 89 - symbol: Cu # 95 coordinates: [ 0.956151260000000, 0.687500000000000, 0.937068415000000 ] mass: 63.546000 reduced_to: 89 - symbol: Cu # 96 coordinates: [ 0.956151260000000, 0.937500000000000, 0.937068415000000 ] mass: 63.546000 reduced_to: 89 - symbol: Lu # 97 coordinates: [ 0.632452960000000, 0.187500000000000, 0.002819155000000 ] mass: 174.966800 reduced_to: 97 - symbol: Lu # 98 coordinates: [ 0.632452960000000, 0.437500000000000, 0.002819155000000 ] mass: 174.966800 reduced_to: 97 - symbol: Lu # 99 coordinates: [ 0.632452960000000, 0.687500000000000, 0.002819155000000 ] mass: 174.966800 reduced_to: 97 - symbol: Lu # 100 coordinates: [ 0.632452960000000, 0.937500000000000, 0.002819155000000 ] mass: 174.966800 reduced_to: 97 - symbol: Lu # 101 coordinates: [ 0.632452960000000, 0.187500000000000, 0.502819155000000 ] mass: 174.966800 reduced_to: 97 - symbol: Lu # 102 coordinates: [ 0.632452960000000, 0.437500000000000, 0.502819155000000 ] mass: 174.966800 reduced_to: 97 - symbol: Lu # 103 coordinates: [ 0.632452960000000, 0.687500000000000, 0.502819155000000 ] mass: 174.966800 reduced_to: 97 - symbol: Lu # 104 coordinates: [ 0.632452960000000, 0.937500000000000, 0.502819155000000 ] mass: 174.966800 reduced_to: 97 - symbol: Lu # 105 coordinates: [ 0.367547040000000, 0.062500000000000, 0.497180845000000 ] mass: 174.966800 reduced_to: 105 - symbol: Lu # 106 coordinates: [ 0.367547040000000, 0.312500000000000, 0.497180845000000 ] mass: 174.966800 reduced_to: 105 - symbol: Lu # 107 coordinates: [ 0.367547040000000, 0.562500000000000, 0.497180845000000 ] mass: 174.966800 reduced_to: 105 - symbol: Lu # 108 coordinates: [ 0.367547040000000, 0.812500000000000, 0.497180845000000 ] mass: 174.966800 reduced_to: 105 - symbol: Lu # 109 coordinates: [ 0.367547040000000, 0.062500000000000, 0.997180845000000 ] mass: 174.966800 reduced_to: 105 - symbol: Lu # 110 coordinates: [ 0.367547040000000, 0.312500000000000, 0.997180845000000 ] mass: 174.966800 reduced_to: 105 - symbol: Lu # 111 coordinates: [ 0.367547040000000, 0.562500000000000, 0.997180845000000 ] mass: 174.966800 reduced_to: 105 - symbol: Lu # 112 coordinates: [ 0.367547040000000, 0.812500000000000, 0.997180845000000 ] mass: 174.966800 reduced_to: 105 - symbol: Lu # 113 coordinates: [ 0.867547040000000, 0.062500000000000, 0.252819155000000 ] mass: 174.966800 reduced_to: 113 - symbol: Lu # 114 coordinates: [ 0.867547040000000, 0.312500000000000, 0.252819155000000 ] mass: 174.966800 reduced_to: 113 - symbol: Lu # 115 coordinates: [ 0.867547040000000, 0.562500000000000, 0.252819155000000 ] mass: 174.966800 reduced_to: 113 - symbol: Lu # 116 coordinates: [ 0.867547040000000, 0.812500000000000, 0.252819155000000 ] mass: 174.966800 reduced_to: 113 - symbol: Lu # 117 coordinates: [ 0.867547040000000, 0.062500000000000, 0.752819155000000 ] mass: 174.966800 reduced_to: 113 - symbol: Lu # 118 coordinates: [ 0.867547040000000, 0.312500000000000, 0.752819155000000 ] mass: 174.966800 reduced_to: 113 - symbol: Lu # 119 coordinates: [ 0.867547040000000, 0.562500000000000, 0.752819155000000 ] mass: 174.966800 reduced_to: 113 - symbol: Lu # 120 coordinates: [ 0.867547040000000, 0.812500000000000, 0.752819155000000 ] mass: 174.966800 reduced_to: 113 - symbol: Lu # 121 coordinates: [ 0.132452960000000, 0.187500000000000, 0.247180845000000 ] mass: 174.966800 reduced_to: 121 - symbol: Lu # 122 coordinates: [ 0.132452960000000, 0.437500000000000, 0.247180845000000 ] mass: 174.966800 reduced_to: 121 - symbol: Lu # 123 coordinates: [ 0.132452960000000, 0.687500000000000, 0.247180845000000 ] mass: 174.966800 reduced_to: 121 - symbol: Lu # 124 coordinates: [ 0.132452960000000, 0.937500000000000, 0.247180845000000 ] mass: 174.966800 reduced_to: 121 - symbol: Lu # 125 coordinates: [ 0.132452960000000, 0.187500000000000, 0.747180845000000 ] mass: 174.966800 reduced_to: 121 - symbol: Lu # 126 coordinates: [ 0.132452960000000, 0.437500000000000, 0.747180845000000 ] mass: 174.966800 reduced_to: 121 - symbol: Lu # 127 coordinates: [ 0.132452960000000, 0.687500000000000, 0.747180845000000 ] mass: 174.966800 reduced_to: 121 - symbol: Lu # 128 coordinates: [ 0.132452960000000, 0.937500000000000, 0.747180845000000 ] mass: 174.966800 reduced_to: 121born_effective_charge:- # 1 (S) - [ -2.537682040000000, 0.000000000000000, -1.060299410000000 ] - [ 0.000000000000000, -2.559757490000000, 0.000000000000000 ] - [ -1.020999330000000, 0.000000000000000, -2.282164050000000 ]- # 2 (S) - [ -2.537682040000000, 0.000000000000000, -1.060299410000000 ] - [ 0.000000000000000, -2.559757490000000, 0.000000000000000 ] - [ -1.020999330000000, 0.000000000000000, -2.282164050000000 ]- # 3 (S) - [ -2.537682040000000, 0.000000000000000, 1.060299410000000 ] - [ 0.000000000000000, -2.559757490000000, 0.000000000000000 ] - [ 1.020999330000000, 0.000000000000000, -2.282164050000000 ]- # 4 (S) - [ -2.537682040000000, 0.000000000000000, 1.060299410000000 ] - [ 0.000000000000000, -2.559757490000000, 0.000000000000000 ] - [ 1.020999330000000, 0.000000000000000, -2.282164050000000 ]- # 5 (S) - [ -1.933560150000000, 0.000000000000000, -0.323825190000000 ] - [ 0.000000000000000, -2.909563130000000, 0.000000000000000 ] - [ -0.064634610000000, 0.000000000000000, -2.252027000000000 ]- # 6 (S) - [ -1.933560150000000, 0.000000000000000, 0.323825190000000 ] - [ 0.000000000000000, -2.909563130000000, 0.000000000000000 ] - [ 0.064634610000000, 0.000000000000000, -2.252027000000000 ]- # 7 (S) - [ -1.933560150000000, 0.000000000000000, 0.323825190000000 ] - [ 0.000000000000000, -2.909563130000000, 0.000000000000000 ] - [ 0.064634610000000, 0.000000000000000, -2.252027000000000 ]- # 8 (S) - [ -1.933560150000000, 0.000000000000000, -0.323825190000000 ] - [ 0.000000000000000, -2.909563130000000, 0.000000000000000 ] - [ -0.064634610000000, 0.000000000000000, -2.252027000000000 ]- # 9 (Cu) - [ 0.510686340000000, 0.000000000000000, -0.018308580000000 ] - [ 0.000000000000000, 0.832644640000000, 0.000000000000000 ] - [ -0.072247300000000, 0.000000000000000, 0.634950280000000 ]- # 10 (Cu) - [ 0.510686340000000, 0.000000000000000, 0.018308580000000 ] - [ 0.000000000000000, 0.832644640000000, 0.000000000000000 ] - [ 0.072247300000000, 0.000000000000000, 0.634950280000000 ]- # 11 (Cu) - [ 0.510686340000000, 0.000000000000000, -0.018308580000000 ] - [ 0.000000000000000, 0.832644640000000, 0.000000000000000 ] - [ -0.072247300000000, 0.000000000000000, 0.634950280000000 ]- # 12 (Cu) - [ 0.510686340000000, 0.000000000000000, 0.018308580000000 ] - [ 0.000000000000000, 0.832644640000000, 0.000000000000000 ] - [ 0.072247300000000, 0.000000000000000, 0.634950280000000 ]- # 13 (Lu) - [ 3.960555850000000, 0.000000000000000, -0.251052180000000 ] - [ 0.000000000000000, 4.636675980000000, 0.000000000000000 ] - [ -0.341393240000000, 0.000000000000000, 3.899240770000000 ]- # 14 (Lu) - [ 3.960555850000000, 0.000000000000000, -0.251052180000000 ] - [ 0.000000000000000, 4.636675980000000, 0.000000000000000 ] - [ -0.341393240000000, 0.000000000000000, 3.899240770000000 ]- # 15 (Lu) - [ 3.960555850000000, 0.000000000000000, 0.251052180000000 ] - [ 0.000000000000000, 4.636675980000000, 0.000000000000000 ] - [ 0.341393240000000, 0.000000000000000, 3.899240770000000 ]- # 16 (Lu) - [ 3.960555850000000, 0.000000000000000, 0.251052180000000 ] - [ 0.000000000000000, 4.636675980000000, 0.000000000000000 ] - [ 0.341393240000000, 0.000000000000000, 3.899240770000000 ]dielectric_constant: - [ 7.504846480000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 9.454283770000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 8.724976849999999 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1140722500000000, 0.0000000000000000, -0.0363366100000000 ] - [ -0.0065226100000000, 0.0001124700000000, -0.0064793600000000 ] - [ -0.0055657000000000, 0.0000000000000000, -0.0058241100000000 ] - [ -0.0065226100000000, -0.0001124700000000, -0.0064793600000000 ] - [ -0.0057285200000000, 0.0000000000000000, -0.0055781000000000 ] - [ -0.0057193300000000, -0.0001010600000000, -0.0056045800000000 ] - [ -0.0054196700000000, 0.0000000000000000, -0.0056254400000000 ] - [ -0.0057193300000000, 0.0001010600000000, -0.0056045800000000 ] - [ 0.0060893800000000, 0.0000445700000000, 0.0058873500000000 ] - [ 0.0060893800000000, -0.0000445700000000, 0.0058873500000000 ] - [ 0.0055328100000000, -0.0000059100000000, 0.0057377100000000 ] - [ 0.0055328100000000, 0.0000059100000000, 0.0057377100000000 ] - [ 0.0059515100000000, -0.0001374000000000, 0.0060280900000000 ] - [ 0.0059515100000000, 0.0001374000000000, 0.0060280900000000 ] - [ 0.0059902200000000, 0.0005147900000000, 0.0058363800000000 ] - [ 0.0059902200000000, -0.0005147900000000, 0.0058363800000000 ] - [ 0.0048055900000000, 0.0021285100000000, -0.0035042800000000 ] - [ 0.0048055900000000, -0.0021285100000000, -0.0035042800000000 ] - [ 0.0049979600000000, -0.0002791400000000, -0.0054172100000000 ] - [ 0.0049979600000000, 0.0002791400000000, -0.0054172100000000 ] - [ 0.0047988900000000, 0.0008216200000000, -0.0062766400000000 ] - [ 0.0047988900000000, -0.0008216200000000, -0.0062766400000000 ] - [ 0.0050261600000000, -0.0000950400000000, -0.0053972400000000 ] - [ 0.0050261600000000, 0.0000950400000000, -0.0053972400000000 ] - [ -0.0043254500000000, 0.0000000000000000, 0.0049820200000000 ] - [ -0.0038255300000000, -0.0002450000000000, 0.0051428600000000 ] - [ -0.0050026800000000, 0.0000000000000000, 0.0053392700000000 ] - [ -0.0038255300000000, 0.0002450000000000, 0.0051428600000000 ] - [ -0.0047165800000000, 0.0000000000000000, 0.0055415700000000 ] - [ -0.0049787200000000, -0.0000749700000000, 0.0055029000000000 ] - [ -0.0050336500000000, 0.0000000000000000, 0.0055316600000000 ] - [ -0.0049787200000000, 0.0000749700000000, 0.0055029000000000 ] - [ -0.0018260300000000, 0.0000000000000000, -0.0114808300000000 ] - [ -0.0035063300000000, 0.0000286000000000, -0.0081808100000000 ] - [ -0.0034106600000000, 0.0000000000000000, -0.0080880500000000 ] - [ -0.0035063300000000, -0.0000286000000000, -0.0081808100000000 ] - [ -0.0012516500000000, 0.0000000000000000, -0.0047700200000000 ] - [ -0.0019623100000000, 0.0023499800000000, -0.0066988600000000 ] - [ -0.0033928000000000, 0.0000000000000000, -0.0081508000000000 ] - [ -0.0019623100000000, -0.0023499800000000, -0.0066988600000000 ] - [ 0.0014028300000000, 0.0000000000000000, 0.0101606800000000 ] - [ -0.0031766500000000, -0.0003722500000000, 0.0080736800000000 ] - [ -0.0032864400000000, 0.0000000000000000, 0.0080161400000000 ] - [ -0.0031766500000000, 0.0003722500000000, 0.0080736800000000 ] - [ -0.0031874100000000, 0.0000000000000000, 0.0078036000000000 ] - [ -0.0032389800000000, -0.0002040300000000, 0.0079065100000000 ] - [ -0.0032888500000000, 0.0000000000000000, 0.0080449000000000 ] - [ -0.0032389800000000, 0.0002040300000000, 0.0079065100000000 ] - [ 0.0064160000000000, 0.0024991500000000, -0.0084209000000000 ] - [ 0.0064160000000000, -0.0024991500000000, -0.0084209000000000 ] - [ 0.0035038800000000, -0.0002202100000000, -0.0081355900000000 ] - [ 0.0035038800000000, 0.0002202100000000, -0.0081355900000000 ] - [ 0.0035076000000000, 0.0001343000000000, -0.0077399600000000 ] - [ 0.0035076000000000, -0.0001343000000000, -0.0077399600000000 ] - [ 0.0034149500000000, -0.0001418900000000, -0.0080158100000000 ] - [ 0.0034149500000000, 0.0001418900000000, -0.0080158100000000 ] - [ 0.0108477700000000, -0.0062130100000000, 0.0100092700000000 ] - [ 0.0108477700000000, 0.0062130100000000, 0.0100092700000000 ] - [ 0.0032303400000000, 0.0001174500000000, 0.0079628700000000 ] - [ 0.0032303400000000, -0.0001174500000000, 0.0079628700000000 ] - [ 0.0033280300000000, -0.0002188800000000, 0.0085705100000000 ] - [ 0.0033280300000000, 0.0002188800000000, 0.0085705100000000 ] - [ 0.0034051700000000, 0.0001783900000000, 0.0083431000000000 ] - [ 0.0034051700000000, -0.0001783900000000, 0.0083431000000000 ] - [ 0.0365896300000000, 0.0000000000000000, -0.0205076600000000 ] - [ -0.0016317800000000, -0.0002391100000000, -0.0059067900000000 ] - [ -0.0018106200000000, 0.0000000000000000, -0.0059582700000000 ] - [ -0.0016317800000000, 0.0002391100000000, -0.0059067900000000 ] - [ -0.0016657300000000, 0.0000000000000000, -0.0064421000000000 ] - [ -0.0017535900000000, -0.0000357400000000, -0.0061441700000000 ] - [ -0.0018053900000000, 0.0000000000000000, -0.0060019900000000 ] - [ -0.0017535900000000, 0.0000357400000000, -0.0061441700000000 ] - [ 0.0018257000000000, 0.0000822300000000, -0.0059877700000000 ] - [ 0.0018257000000000, -0.0000822300000000, -0.0059877700000000 ] - [ 0.0019653500000000, 0.0000458300000000, -0.0060119100000000 ] - [ 0.0019653500000000, -0.0000458300000000, -0.0060119100000000 ] - [ 0.0017104900000000, -0.0000505800000000, -0.0056060000000000 ] - [ 0.0017104900000000, 0.0000505800000000, -0.0056060000000000 ] - [ 0.0019822200000000, 0.0000450800000000, -0.0059276500000000 ] - [ 0.0019822200000000, -0.0000450800000000, -0.0059276500000000 ] - [ 0.0019779000000000, 0.0001829400000000, 0.0063306200000000 ] - [ 0.0019779000000000, -0.0001829400000000, 0.0063306200000000 ] - [ 0.0018252500000000, -0.0000260200000000, 0.0060273200000000 ] - [ 0.0018252500000000, 0.0000260200000000, 0.0060273200000000 ] - [ 0.0019222900000000, 0.0002244200000000, 0.0058886000000000 ] - [ 0.0019222900000000, -0.0002244200000000, 0.0058886000000000 ] - [ 0.0016225800000000, -0.0003340800000000, 0.0058427200000000 ] - [ 0.0016225800000000, 0.0003340800000000, 0.0058427200000000 ] - [ -0.0021568300000000, 0.0000000000000000, 0.0061229100000000 ] - [ -0.0021586100000000, 0.0003594700000000, 0.0062194800000000 ] - [ -0.0020127900000000, 0.0000000000000000, 0.0060222000000000 ] - [ -0.0021586100000000, -0.0003594700000000, 0.0062194800000000 ] - [ -0.0019083100000000, 0.0000000000000000, 0.0056167900000000 ] - [ -0.0019826700000000, 0.0000921800000000, 0.0059229700000000 ] - [ -0.0019737800000000, 0.0000000000000000, 0.0059728000000000 ] - [ -0.0019826700000000, -0.0000921800000000, 0.0059229700000000 ] - [ -0.0035853200000000, 0.0000000000000000, -0.0089152200000000 ] - [ -0.0029826200000000, -0.0001612300000000, -0.0090168200000000 ] - [ -0.0027689900000000, 0.0000000000000000, -0.0089923000000000 ] - [ -0.0029826200000000, 0.0001612300000000, -0.0090168200000000 ] - [ -0.0034575500000000, 0.0000000000000000, -0.0088451000000000 ] - [ -0.0039845700000000, -0.0015265000000000, -0.0092291500000000 ] - [ -0.0025937900000000, 0.0000000000000000, -0.0084271300000000 ] - [ -0.0039845700000000, 0.0015265000000000, -0.0092291500000000 ] - [ 0.0131348800000000, -0.0110004400000000, 0.0184467800000000 ] - [ 0.0131348800000000, 0.0110004400000000, 0.0184467800000000 ] - [ 0.0031179900000000, -0.0002425900000000, 0.0092419100000000 ] - [ 0.0031179900000000, 0.0002425900000000, 0.0092419100000000 ] - [ 0.0044600000000000, 0.0004718400000000, 0.0082221000000000 ] - [ 0.0044600000000000, -0.0004718400000000, 0.0082221000000000 ] - [ 0.0029726400000000, -0.0000109100000000, 0.0087248000000000 ] - [ 0.0029726400000000, 0.0000109100000000, 0.0087248000000000 ] - [ 0.0004577700000000, -0.0008627000000000, -0.0088266000000000 ] - [ 0.0004577700000000, 0.0008627000000000, -0.0088266000000000 ] - [ 0.0019987100000000, 0.0002212000000000, -0.0088003600000000 ] - [ 0.0019987100000000, -0.0002212000000000, -0.0088003600000000 ] - [ 0.0013988100000000, -0.0002429500000000, -0.0091044200000000 ] - [ 0.0013988100000000, 0.0002429500000000, -0.0091044200000000 ] - [ 0.0018247100000000, 0.0002229300000000, -0.0090410700000000 ] - [ 0.0018247100000000, -0.0002229300000000, -0.0090410700000000 ] - [ 0.0162214800000000, 0.0000000000000000, 0.0247882400000000 ] - [ -0.0018695600000000, 0.0016401700000000, 0.0092166500000000 ] - [ -0.0021588000000000, 0.0000000000000000, 0.0089766000000000 ] - [ -0.0018695600000000, -0.0016401700000000, 0.0092166500000000 ] - [ -0.0019224400000000, 0.0000000000000000, 0.0091381500000000 ] - [ -0.0021025600000000, 0.0005520100000000, 0.0089238300000000 ] - [ -0.0021795900000000, 0.0000000000000000, 0.0088160700000000 ] - [ -0.0021025600000000, -0.0005520100000000, 0.0089238300000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.1021963100000000, 0.0000000000000000, 0.0267147400000000 ] - [ -0.0040144300000000, -0.0001210500000000, -0.0046222400000000 ] - [ -0.0049743700000000, 0.0000000000000000, -0.0052847600000000 ] - [ -0.0040144300000000, 0.0001210500000000, -0.0046222400000000 ] - [ -0.0047776000000000, 0.0000000000000000, -0.0055349100000000 ] - [ -0.0048459300000000, 0.0001008800000000, -0.0055012200000000 ] - [ -0.0050618100000000, 0.0000000000000000, -0.0054993700000000 ] - [ -0.0048459300000000, -0.0001008800000000, -0.0055012200000000 ] - [ 0.0044428700000000, -0.0000526500000000, 0.0052192400000000 ] - [ 0.0044428700000000, 0.0000526500000000, 0.0052192400000000 ] - [ 0.0050116100000000, -0.0000003500000000, 0.0053640200000000 ] - [ 0.0050116100000000, 0.0000003500000000, 0.0053640200000000 ] - [ 0.0045701500000000, 0.0001434400000000, 0.0050775000000000 ] - [ 0.0045701500000000, -0.0001434400000000, 0.0050775000000000 ] - [ 0.0045561300000000, -0.0005132200000000, 0.0052693300000000 ] - [ 0.0045561300000000, 0.0005132200000000, 0.0052693300000000 ] - [ 0.0057472900000000, -0.0021518000000000, -0.0076142800000000 ] - [ 0.0057472900000000, 0.0021518000000000, -0.0076142800000000 ] - [ 0.0055354200000000, 0.0002828000000000, -0.0056914100000000 ] - [ 0.0055354200000000, -0.0002828000000000, -0.0056914100000000 ] - [ 0.0057397200000000, -0.0008127600000000, -0.0048458500000000 ] - [ 0.0057397200000000, 0.0008127600000000, -0.0048458500000000 ] - [ 0.0055398900000000, 0.0000963000000000, -0.0056985800000000 ] - [ 0.0055398900000000, -0.0000963000000000, -0.0056985800000000 ] - [ -0.0062241400000000, 0.0000000000000000, 0.0061266900000000 ] - [ -0.0067127000000000, 0.0002496400000000, 0.0059789000000000 ] - [ -0.0055515800000000, 0.0000000000000000, 0.0057657500000000 ] - [ -0.0067127000000000, -0.0002496400000000, 0.0059789000000000 ] - [ -0.0058587600000000, 0.0000000000000000, 0.0055550100000000 ] - [ -0.0055655300000000, 0.0000768500000000, 0.0056097500000000 ] - [ -0.0054829100000000, 0.0000000000000000, 0.0055746800000000 ] - [ -0.0055655300000000, -0.0000768500000000, 0.0056097500000000 ] - [ -0.0048779000000000, 0.0000000000000000, -0.0046454800000000 ] - [ -0.0031902500000000, -0.0000360800000000, -0.0079512200000000 ] - [ -0.0032948600000000, 0.0000000000000000, -0.0080526500000000 ] - [ -0.0031902500000000, 0.0000360800000000, -0.0079512200000000 ] - [ -0.0054276200000000, 0.0000000000000000, -0.0113126100000000 ] - [ -0.0047419200000000, -0.0023782900000000, -0.0094585800000000 ] - [ -0.0033159300000000, 0.0000000000000000, -0.0079544000000000 ] - [ -0.0047419200000000, 0.0023782900000000, -0.0094585800000000 ] - [ -0.0081409000000000, 0.0000000000000000, 0.0059547100000000 ] - [ -0.0035258300000000, 0.0003807100000000, 0.0080459700000000 ] - [ -0.0034021200000000, 0.0000000000000000, 0.0081087600000000 ] - [ -0.0035258300000000, -0.0003807100000000, 0.0080459700000000 ] - [ -0.0034992800000000, 0.0000000000000000, 0.0083345600000000 ] - [ -0.0034728000000000, 0.0001869200000000, 0.0082033800000000 ] - [ -0.0034314200000000, 0.0000000000000000, 0.0081033400000000 ] - [ -0.0034728000000000, -0.0001869200000000, 0.0082033800000000 ] - [ 0.0002269200000000, -0.0025587400000000, -0.0076933400000000 ] - [ 0.0002269200000000, 0.0025587400000000, -0.0076933400000000 ] - [ 0.0031909700000000, 0.0002052800000000, -0.0080041700000000 ] - [ 0.0031909700000000, -0.0002052800000000, -0.0080041700000000 ] - [ 0.0031910900000000, -0.0001432300000000, -0.0083988600000000 ] - [ 0.0031910900000000, 0.0001432300000000, -0.0083988600000000 ] - [ 0.0032761600000000, 0.0001517400000000, -0.0081068800000000 ] - [ 0.0032761600000000, -0.0001517400000000, -0.0081068800000000 ] - [ -0.0040778300000000, 0.0061468100000000, 0.0061138300000000 ] - [ -0.0040778300000000, -0.0061468100000000, 0.0061138300000000 ] - [ 0.0034671500000000, -0.0001171800000000, 0.0081775300000000 ] - [ 0.0034671500000000, 0.0001171800000000, 0.0081775300000000 ] - [ 0.0033717300000000, 0.0002462700000000, 0.0075574400000000 ] - [ 0.0033717300000000, -0.0002462700000000, 0.0075574400000000 ] - [ 0.0032826300000000, -0.0001358700000000, 0.0077833600000000 ] - [ 0.0032826300000000, 0.0001358700000000, 0.0077833600000000 ] - [ -0.0382530300000000, 0.0000000000000000, 0.0075884200000000 ] - [ -0.0021838100000000, 0.0002373400000000, -0.0060265300000000 ] - [ -0.0020151000000000, 0.0000000000000000, -0.0059737100000000 ] - [ -0.0021838100000000, -0.0002373400000000, -0.0060265300000000 ] - [ -0.0021483700000000, 0.0000000000000000, -0.0054971000000000 ] - [ -0.0020640600000000, 0.0000343400000000, -0.0057945600000000 ] - [ -0.0020134700000000, 0.0000000000000000, -0.0059125200000000 ] - [ -0.0020640600000000, -0.0000343400000000, -0.0057945600000000 ] - [ 0.0019857100000000, -0.0000891300000000, -0.0059467000000000 ] - [ 0.0019857100000000, 0.0000891300000000, -0.0059467000000000 ] - [ 0.0018592100000000, -0.0000462500000000, -0.0059216000000000 ] - [ 0.0018592100000000, 0.0000462500000000, -0.0059216000000000 ] - [ 0.0021125400000000, 0.0000409900000000, -0.0063351500000000 ] - [ 0.0021125400000000, -0.0000409900000000, -0.0063351500000000 ] - [ 0.0018410800000000, -0.0000547400000000, -0.0060090300000000 ] - [ 0.0018410800000000, 0.0000547400000000, -0.0060090300000000 ] - [ 0.0018479000000000, -0.0001828500000000, 0.0056052100000000 ] - [ 0.0018479000000000, 0.0001828500000000, 0.0056052100000000 ] - [ 0.0020002400000000, 0.0000286500000000, 0.0059024500000000 ] - [ 0.0020002400000000, -0.0000286500000000, 0.0059024500000000 ] - [ 0.0019006500000000, -0.0002097800000000, 0.0060490900000000 ] - [ 0.0019006500000000, 0.0002097800000000, 0.0060490900000000 ] - [ 0.0021971500000000, 0.0003545100000000, 0.0061009500000000 ] - [ 0.0021971500000000, -0.0003545100000000, 0.0061009500000000 ] - [ -0.0016445700000000, 0.0000000000000000, 0.0058012200000000 ] - [ -0.0016672300000000, -0.0003730700000000, 0.0057091100000000 ] - [ -0.0018074100000000, 0.0000000000000000, 0.0058995700000000 ] - [ -0.0016672300000000, 0.0003730700000000, 0.0057091100000000 ] - [ -0.0019105800000000, 0.0000000000000000, 0.0063199700000000 ] - [ -0.0018460000000000, -0.0000853000000000, 0.0060211200000000 ] - [ -0.0018384600000000, 0.0000000000000000, 0.0059551500000000 ] - [ -0.0018460000000000, 0.0000853000000000, 0.0060211200000000 ] - [ -0.0012541900000000, 0.0000000000000000, -0.0088161600000000 ] - [ -0.0018544800000000, 0.0001574900000000, -0.0086840700000000 ] - [ -0.0020898000000000, 0.0000000000000000, -0.0087255600000000 ] - [ -0.0018544800000000, -0.0001574900000000, -0.0086840700000000 ] - [ -0.0013600200000000, 0.0000000000000000, -0.0088419800000000 ] - [ -0.0008494000000000, 0.0015341000000000, -0.0084764500000000 ] - [ -0.0022411600000000, 0.0000000000000000, -0.0092840500000000 ] - [ -0.0008494000000000, -0.0015341000000000, -0.0084764500000000 ] - [ -0.0083642700000000, 0.0108099200000000, -0.0005905100000000 ] - [ -0.0083642700000000, -0.0108099200000000, -0.0005905100000000 ] - [ 0.0017246100000000, 0.0002431300000000, 0.0084658800000000 ] - [ 0.0017246100000000, -0.0002431300000000, 0.0084658800000000 ] - [ 0.0003678500000000, -0.0004756400000000, 0.0094881300000000 ] - [ 0.0003678500000000, 0.0004756400000000, 0.0094881300000000 ] - [ 0.0018776500000000, 0.0000216400000000, 0.0089758100000000 ] - [ 0.0018776500000000, -0.0000216400000000, 0.0089758100000000 ] - [ 0.0044139900000000, 0.0008673600000000, -0.0088719000000000 ] - [ 0.0044139900000000, -0.0008673600000000, -0.0088719000000000 ] - [ 0.0028572400000000, -0.0002282600000000, -0.0088969300000000 ] - [ 0.0028572400000000, 0.0002282600000000, -0.0088969300000000 ] - [ 0.0034549500000000, 0.0002422600000000, -0.0086016600000000 ] - [ 0.0034549500000000, -0.0002422600000000, -0.0086016600000000 ] - [ 0.0030308300000000, -0.0002202900000000, -0.0086611600000000 ] - [ 0.0030308300000000, 0.0002202900000000, -0.0086611600000000 ] - [ -0.0217879700000000, 0.0000000000000000, -0.0078408600000000 ] - [ -0.0029917500000000, -0.0016571400000000, 0.0084858400000000 ] - [ -0.0026955900000000, 0.0000000000000000, 0.0087293000000000 ] - [ -0.0029917500000000, 0.0016571400000000, 0.0084858400000000 ] - [ -0.0029370200000000, 0.0000000000000000, 0.0085684900000000 ] - [ -0.0027542300000000, -0.0005548700000000, 0.0087930300000000 ] - [ -0.0026760900000000, 0.0000000000000000, 0.0088877600000000 ] - [ -0.0027542300000000, 0.0005548700000000, 0.0087930300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0058797200000000, -0.0717872000000000, -0.0065193200000000 ] - [ -0.0053888000000000, 0.0047881700000000, -0.0058832200000000 ] - [ -0.0052960000000000, 0.0013462300000000, -0.0055791700000000 ] - [ -0.0051202600000000, 0.0047292500000000, -0.0053049500000000 ] - [ -0.0052602600000000, -0.0004722200000000, -0.0055853900000000 ] - [ -0.0051683300000000, 0.0000997900000000, -0.0053886400000000 ] - [ -0.0052409200000000, 0.0003581400000000, -0.0055911500000000 ] - [ -0.0054232600000000, 0.0001008500000000, -0.0057675400000000 ] - [ 0.0053253000000000, -0.0001817900000000, 0.0058388600000000 ] - [ 0.0052308000000000, -0.0001770900000000, 0.0053265600000000 ] - [ 0.0052458100000000, 0.0002287700000000, 0.0055290000000000 ] - [ 0.0052948000000000, 0.0002304000000000, 0.0056452500000000 ] - [ 0.0051389300000000, -0.0004811400000000, 0.0054062400000000 ] - [ 0.0054186800000000, -0.0004866500000000, 0.0057661300000000 ] - [ 0.0058309700000000, 0.0007277100000000, 0.0056969800000000 ] - [ 0.0047426200000000, 0.0007241900000000, 0.0054631500000000 ] - [ 0.0060810900000000, 0.0002431400000000, -0.0042901700000000 ] - [ 0.0044345300000000, 0.0002334400000000, -0.0068930500000000 ] - [ 0.0051626400000000, 0.0004118600000000, -0.0056954200000000 ] - [ 0.0053892100000000, 0.0004162600000000, -0.0054771100000000 ] - [ 0.0073734800000000, 0.0002483900000000, -0.0082882800000000 ] - [ 0.0031509700000000, 0.0002402900000000, -0.0028917200000000 ] - [ 0.0050190000000000, 0.0004075400000000, -0.0053298000000000 ] - [ 0.0055200900000000, 0.0004107300000000, -0.0058448500000000 ] - [ -0.0052426100000000, -0.0005295700000000, 0.0055926200000000 ] - [ -0.0050177100000000, 0.0002022600000000, 0.0053459800000000 ] - [ -0.0052817400000000, 0.0003511900000000, 0.0055846700000000 ] - [ -0.0055536900000000, 0.0002061500000000, 0.0058156300000000 ] - [ -0.0052952300000000, -0.0002686000000000, 0.0055838400000000 ] - [ -0.0052206100000000, 0.0000011700000000, 0.0055138500000000 ] - [ -0.0052584700000000, 0.0002922100000000, 0.0055911900000000 ] - [ -0.0053748300000000, 0.0000023700000000, 0.0056389600000000 ] - [ -0.0033667600000000, -0.0005651700000000, -0.0080459500000000 ] - [ -0.0032925400000000, 0.0000627500000000, -0.0082365400000000 ] - [ -0.0033552800000000, 0.0003819200000000, -0.0080563500000000 ] - [ -0.0034255300000000, 0.0000607100000000, -0.0078142600000000 ] - [ -0.0033586300000000, -0.0023882200000000, -0.0080233300000000 ] - [ -0.0010065600000000, 0.0045285000000000, -0.0055981800000000 ] - [ -0.0033673800000000, 0.0018555800000000, -0.0080254800000000 ] - [ -0.0057032600000000, 0.0045207100000000, -0.0105131600000000 ] - [ -0.0033295600000000, -0.0002441900000000, 0.0080568700000000 ] - [ -0.0035716500000000, 0.0000341300000000, 0.0079587400000000 ] - [ -0.0033636500000000, 0.0003076300000000, 0.0080304700000000 ] - [ -0.0031318900000000, 0.0000553400000000, 0.0081453300000000 ] - [ -0.0033582800000000, -0.0005875700000000, 0.0080166400000000 ] - [ -0.0035646500000000, 0.0000955800000000, 0.0081009100000000 ] - [ -0.0033576500000000, 0.0003801500000000, 0.0080444900000000 ] - [ -0.0031421900000000, 0.0001047600000000, 0.0079863200000000 ] - [ 0.0047259400000000, 0.0002074700000000, -0.0078638900000000 ] - [ 0.0019870100000000, 0.0001539900000000, -0.0082043000000000 ] - [ 0.0032322500000000, 0.0003802600000000, -0.0080771700000000 ] - [ 0.0034956100000000, 0.0003730900000000, -0.0080009000000000 ] - [ 0.0035196300000000, -0.0002828400000000, -0.0080258300000000 ] - [ 0.0032273900000000, -0.0002933100000000, -0.0080446600000000 ] - [ 0.0033020300000000, 0.0003527100000000, -0.0079466700000000 ] - [ 0.0034149500000000, 0.0003100000000000, -0.0081486100000000 ] - [ -0.0015832100000000, 0.0021481700000000, 0.0072681400000000 ] - [ 0.0083074900000000, 0.0021981400000000, 0.0088076700000000 ] - [ 0.0035484000000000, 0.0005289100000000, 0.0079921400000000 ] - [ 0.0031709400000000, 0.0005742300000000, 0.0080779000000000 ] - [ 0.0032864300000000, -0.0002954800000000, 0.0080461600000000 ] - [ 0.0034312900000000, -0.0003351700000000, 0.0080464500000000 ] - [ 0.0035044700000000, 0.0005167200000000, 0.0083951500000000 ] - [ 0.0032011300000000, 0.0004659300000000, 0.0077022600000000 ] - [ -0.0019542500000000, 0.0007906000000000, -0.0059646100000000 ] - [ -0.0021627900000000, -0.0001452600000000, -0.0058898900000000 ] - [ -0.0018749700000000, -0.0001404700000000, -0.0060101900000000 ] - [ -0.0016067300000000, -0.0001530800000000, -0.0061027900000000 ] - [ -0.0018880600000000, 0.0000961600000000, -0.0059998500000000 ] - [ -0.0020132000000000, 0.0000136900000000, -0.0062168900000000 ] - [ -0.0018996100000000, -0.0002072800000000, -0.0059914900000000 ] - [ -0.0017429800000000, 0.0000174800000000, -0.0058008300000000 ] - [ 0.0016003300000000, 0.0001179900000000, -0.0059772200000000 ] - [ 0.0022004500000000, 0.0001038000000000, -0.0060069800000000 ] - [ 0.0019469800000000, -0.0000219100000000, -0.0060223600000000 ] - [ 0.0018364400000000, -0.0000325800000000, -0.0059748500000000 ] - [ 0.0015244200000000, 0.0000776200000000, -0.0059503300000000 ] - [ 0.0022642100000000, 0.0000656800000000, -0.0060619200000000 ] - [ 0.0019515200000000, -0.0000683700000000, -0.0060381100000000 ] - [ 0.0018405200000000, -0.0000736400000000, -0.0059697500000000 ] - [ 0.0016383100000000, 0.0001404200000000, 0.0057612000000000 ] - [ 0.0021172800000000, 0.0001573700000000, 0.0062448700000000 ] - [ 0.0019028800000000, -0.0001300000000000, 0.0060616600000000 ] - [ 0.0018624300000000, -0.0001164700000000, 0.0059401000000000 ] - [ 0.0015449000000000, 0.0003738700000000, 0.0057445800000000 ] - [ 0.0022365700000000, 0.0003540600000000, 0.0062468600000000 ] - [ 0.0015220400000000, -0.0008203000000000, 0.0057696700000000 ] - [ 0.0022354600000000, -0.0008501200000000, 0.0062478900000000 ] - [ -0.0018973200000000, 0.0002906500000000, 0.0059993100000000 ] - [ -0.0019641200000000, -0.0000750100000000, 0.0059626700000000 ] - [ -0.0018933500000000, -0.0001122700000000, 0.0060093700000000 ] - [ -0.0018111700000000, -0.0000667600000000, 0.0060705500000000 ] - [ -0.0018770900000000, 0.0001502000000000, 0.0060050000000000 ] - [ -0.0019282300000000, -0.0000125400000000, 0.0060582300000000 ] - [ -0.0018885800000000, -0.0001029100000000, 0.0060011200000000 ] - [ -0.0018199900000000, -0.0000192300000000, 0.0059645200000000 ] - [ -0.0024205100000000, 0.0007974000000000, -0.0088701800000000 ] - [ -0.0026902300000000, -0.0000751000000000, -0.0087993200000000 ] - [ -0.0024269800000000, -0.0007664100000000, -0.0088610800000000 ] - [ -0.0021356700000000, -0.0000742500000000, -0.0089184300000000 ] - [ -0.0024165600000000, 0.0023716400000000, -0.0088476200000000 ] - [ -0.0034944200000000, -0.0007104700000000, -0.0091435600000000 ] - [ -0.0024086000000000, -0.0011342400000000, -0.0088549200000000 ] - [ -0.0013535200000000, -0.0007087300000000, -0.0085779600000000 ] - [ -0.0093072100000000, 0.0238394300000000, -0.0070352700000000 ] - [ 0.0147234500000000, 0.0246067100000000, 0.0255812300000000 ] - [ 0.0021011700000000, -0.0029026200000000, 0.0083501600000000 ] - [ 0.0027251600000000, -0.0028773800000000, 0.0093609600000000 ] - [ 0.0027787000000000, 0.0006360800000000, 0.0084905100000000 ] - [ 0.0020644300000000, 0.0006354800000000, 0.0092064900000000 ] - [ 0.0024962200000000, -0.0006803200000000, 0.0088562900000000 ] - [ 0.0023400800000000, -0.0006876500000000, 0.0088586400000000 ] - [ 0.0021671500000000, 0.0004856200000000, -0.0091536100000000 ] - [ 0.0026643000000000, 0.0004880200000000, -0.0085628800000000 ] - [ 0.0024285700000000, -0.0005446800000000, -0.0087081400000000 ] - [ 0.0023981200000000, -0.0005459500000000, -0.0090067800000000 ] - [ 0.0024488100000000, 0.0003952600000000, -0.0087491200000000 ] - [ 0.0023693800000000, 0.0003985300000000, -0.0089703900000000 ] - [ 0.0022577300000000, -0.0003885800000000, -0.0090963800000000 ] - [ 0.0025741000000000, -0.0003937100000000, -0.0086254900000000 ] - [ -0.0023826000000000, 0.0014267600000000, 0.0089001700000000 ] - [ -0.0010401300000000, -0.0003305500000000, 0.0097503600000000 ] - [ -0.0024125600000000, -0.0008223600000000, 0.0088647800000000 ] - [ -0.0037933100000000, -0.0003555900000000, 0.0079628300000000 ] - [ -0.0024155500000000, 0.0024789600000000, 0.0088569900000000 ] - [ -0.0018824300000000, -0.0008117600000000, 0.0083091600000000 ] - [ -0.0024236500000000, -0.0007625400000000, 0.0088576800000000 ] - [ -0.0029485000000000, -0.0008100300000000, 0.0094058800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0369352000000000, 0.0000000000000000, -0.0808528500000000 ] - [ -0.0061483400000000, 0.0002948800000000, -0.0067966500000000 ] - [ -0.0055035100000000, 0.0000000000000000, -0.0057902900000000 ] - [ -0.0061483400000000, -0.0002948800000000, -0.0067966500000000 ] - [ -0.0052477300000000, 0.0000000000000000, -0.0049720000000000 ] - [ -0.0052598700000000, -0.0002041900000000, -0.0050935300000000 ] - [ -0.0053184100000000, 0.0000000000000000, -0.0054993400000000 ] - [ -0.0052598700000000, 0.0002041900000000, -0.0050935300000000 ] - [ 0.0055764200000000, 0.0002569200000000, 0.0057231300000000 ] - [ 0.0055764200000000, -0.0002569200000000, 0.0057231300000000 ] - [ 0.0054323300000000, -0.0000653800000000, 0.0056945000000000 ] - [ 0.0054323300000000, 0.0000653800000000, 0.0056945000000000 ] - [ 0.0057134000000000, -0.0001764100000000, 0.0055880100000000 ] - [ 0.0057134000000000, 0.0001764100000000, 0.0055880100000000 ] - [ 0.0054965000000000, 0.0001262100000000, 0.0055584800000000 ] - [ 0.0054965000000000, -0.0001262100000000, 0.0055584800000000 ] - [ 0.0059280400000000, 0.0026706500000000, -0.0028749400000000 ] - [ 0.0059280400000000, -0.0026706500000000, -0.0028749400000000 ] - [ 0.0051243400000000, -0.0002450700000000, -0.0054717900000000 ] - [ 0.0051243400000000, 0.0002450700000000, -0.0054717900000000 ] - [ 0.0032020200000000, -0.0013131900000000, -0.0028289500000000 ] - [ 0.0032020200000000, 0.0013131900000000, -0.0028289500000000 ] - [ 0.0050736500000000, 0.0001007300000000, -0.0054950300000000 ] - [ 0.0050736500000000, -0.0001007300000000, -0.0054950300000000 ] - [ -0.0046613000000000, 0.0000000000000000, 0.0051217900000000 ] - [ -0.0048003800000000, -0.0002427800000000, 0.0052930200000000 ] - [ -0.0050009600000000, 0.0000000000000000, 0.0054046500000000 ] - [ -0.0048003800000000, 0.0002427800000000, 0.0052930200000000 ] - [ -0.0052009300000000, 0.0000000000000000, 0.0060756700000000 ] - [ -0.0051902700000000, -0.0000609000000000, 0.0056110400000000 ] - [ -0.0051980800000000, 0.0000000000000000, 0.0055692900000000 ] - [ -0.0051902700000000, 0.0000609000000000, 0.0056110400000000 ] - [ -0.0062232500000000, 0.0000000000000000, -0.0027056800000000 ] - [ -0.0034698400000000, -0.0001887400000000, -0.0080022300000000 ] - [ -0.0033753800000000, 0.0000000000000000, -0.0079817700000000 ] - [ -0.0034698400000000, 0.0001887400000000, -0.0080022300000000 ] - [ 0.0005222100000000, 0.0000000000000000, -0.0040962900000000 ] - [ -0.0018549000000000, 0.0027148000000000, -0.0060558400000000 ] - [ -0.0032942900000000, 0.0000000000000000, -0.0081770400000000 ] - [ -0.0018549000000000, -0.0027148000000000, -0.0060558400000000 ] - [ 0.0008643000000000, 0.0000000000000000, 0.0102616400000000 ] - [ -0.0031577400000000, -0.0003724000000000, 0.0079684500000000 ] - [ -0.0033820000000000, 0.0000000000000000, 0.0080553600000000 ] - [ -0.0031577400000000, 0.0003724000000000, 0.0079684500000000 ] - [ -0.0036448700000000, 0.0000000000000000, 0.0080622800000000 ] - [ -0.0034395600000000, -0.0000130500000000, 0.0079282400000000 ] - [ -0.0033146800000000, 0.0000000000000000, 0.0079345300000000 ] - [ -0.0034395600000000, 0.0000130500000000, 0.0079282400000000 ] - [ 0.0042793100000000, 0.0008592100000000, -0.0086812900000000 ] - [ 0.0042793100000000, -0.0008592100000000, -0.0086812900000000 ] - [ 0.0033900600000000, -0.0001988500000000, -0.0080745700000000 ] - [ 0.0033900600000000, 0.0001988500000000, -0.0080745700000000 ] - [ 0.0032328300000000, 0.0001035200000000, -0.0072914500000000 ] - [ 0.0032328300000000, -0.0001035200000000, -0.0072914500000000 ] - [ 0.0032579100000000, 0.0001052900000000, -0.0078690700000000 ] - [ 0.0032579100000000, -0.0001052900000000, -0.0078690700000000 ] - [ 0.0029652800000000, 0.0001545800000000, 0.0069562300000000 ] - [ 0.0029652800000000, -0.0001545800000000, 0.0069562300000000 ] - [ 0.0033480700000000, 0.0000337000000000, 0.0078958700000000 ] - [ 0.0033480700000000, -0.0000337000000000, 0.0078958700000000 ] - [ 0.0033597800000000, 0.0000474400000000, 0.0089580300000000 ] - [ 0.0033597800000000, -0.0000474400000000, 0.0089580300000000 ] - [ 0.0034104500000000, 0.0000757300000000, 0.0083603900000000 ] - [ 0.0034104500000000, -0.0000757300000000, 0.0083603900000000 ] - [ -0.0142371700000000, 0.0000000000000000, 0.0007198000000000 ] - [ -0.0018211400000000, 0.0002246600000000, -0.0060308100000000 ] - [ -0.0019260700000000, 0.0000000000000000, -0.0059266400000000 ] - [ -0.0018211400000000, -0.0002246600000000, -0.0060308100000000 ] - [ -0.0017440400000000, 0.0000000000000000, -0.0063171100000000 ] - [ -0.0019312800000000, -0.0000395000000000, -0.0061349100000000 ] - [ -0.0018787600000000, 0.0000000000000000, -0.0060059300000000 ] - [ -0.0019312800000000, 0.0000395000000000, -0.0061349100000000 ] - [ 0.0015423000000000, 0.0001347400000000, -0.0061853600000000 ] - [ 0.0015423000000000, -0.0001347400000000, -0.0061853600000000 ] - [ 0.0020088500000000, 0.0000463000000000, -0.0060233600000000 ] - [ 0.0020088500000000, -0.0000463000000000, -0.0060233600000000 ] - [ 0.0022259400000000, -0.0000176600000000, -0.0056774600000000 ] - [ 0.0022259400000000, 0.0000176600000000, -0.0056774600000000 ] - [ 0.0020063100000000, 0.0000148600000000, -0.0058804500000000 ] - [ 0.0020063100000000, -0.0000148600000000, -0.0058804500000000 ] - [ 0.0019386200000000, -0.0001661700000000, 0.0062433300000000 ] - [ 0.0019386200000000, 0.0001661700000000, 0.0062433300000000 ] - [ 0.0019430900000000, 0.0000220200000000, 0.0060170300000000 ] - [ 0.0019430900000000, -0.0000220200000000, 0.0060170300000000 ] - [ 0.0019164600000000, 0.0003525800000000, 0.0056480300000000 ] - [ 0.0019164600000000, -0.0003525800000000, 0.0056480300000000 ] - [ 0.0016842200000000, -0.0004697800000000, 0.0057272100000000 ] - [ 0.0016842200000000, 0.0004697800000000, 0.0057272100000000 ] - [ -0.0018948200000000, 0.0000000000000000, 0.0059397400000000 ] - [ -0.0020557200000000, 0.0001512300000000, 0.0060246700000000 ] - [ -0.0020187800000000, 0.0000000000000000, 0.0059619400000000 ] - [ -0.0020557200000000, -0.0001512300000000, 0.0060246700000000 ] - [ -0.0019487100000000, 0.0000000000000000, 0.0055679600000000 ] - [ -0.0020063000000000, 0.0000712800000000, 0.0058847600000000 ] - [ -0.0019705600000000, 0.0000000000000000, 0.0059050000000000 ] - [ -0.0020063000000000, -0.0000712800000000, 0.0058847600000000 ] - [ -0.0021024300000000, 0.0000000000000000, -0.0096947900000000 ] - [ -0.0027252900000000, 0.0001110000000000, -0.0092406300000000 ] - [ -0.0026170300000000, 0.0000000000000000, -0.0090815900000000 ] - [ -0.0027252900000000, -0.0001110000000000, -0.0092406300000000 ] - [ -0.0034303300000000, 0.0000000000000000, -0.0075544600000000 ] - [ -0.0030252900000000, 0.0000423600000000, -0.0080813300000000 ] - [ -0.0026042000000000, 0.0000000000000000, -0.0084729100000000 ] - [ -0.0030252900000000, -0.0000423600000000, -0.0080813300000000 ] - [ 0.0144254200000000, -0.0174724800000000, 0.0261078900000000 ] - [ 0.0144254200000000, 0.0174724800000000, 0.0261078900000000 ] - [ 0.0028296000000000, -0.0002830600000000, 0.0093862600000000 ] - [ 0.0028296000000000, 0.0002830600000000, 0.0093862600000000 ] - [ 0.0035177900000000, -0.0007781700000000, 0.0070865700000000 ] - [ 0.0035177900000000, 0.0007781700000000, 0.0070865700000000 ] - [ 0.0027050600000000, 0.0000727500000000, 0.0085931300000000 ] - [ 0.0027050600000000, -0.0000727500000000, 0.0085931300000000 ] - [ 0.0016438100000000, -0.0006629900000000, -0.0083281100000000 ] - [ 0.0016438100000000, 0.0006629900000000, -0.0083281100000000 ] - [ 0.0021414800000000, 0.0002786300000000, -0.0087812200000000 ] - [ 0.0021414800000000, -0.0002786300000000, -0.0087812200000000 ] - [ 0.0019478700000000, -0.0002108600000000, -0.0093308600000000 ] - [ 0.0019478700000000, 0.0002108600000000, -0.0093308600000000 ] - [ 0.0021627300000000, 0.0000944200000000, -0.0090045100000000 ] - [ 0.0021627300000000, -0.0000944200000000, -0.0090045100000000 ] - [ 0.0102687900000000, 0.0000000000000000, 0.0210800900000000 ] - [ -0.0024031000000000, 0.0014432900000000, 0.0099012700000000 ] - [ -0.0022232300000000, 0.0000000000000000, 0.0090283700000000 ] - [ -0.0024031000000000, -0.0014432900000000, 0.0099012700000000 ] - [ -0.0013175200000000, 0.0000000000000000, 0.0076033300000000 ] - [ -0.0017416600000000, -0.0005147800000000, 0.0081206200000000 ] - [ -0.0022395500000000, 0.0000000000000000, 0.0087536600000000 ] - [ -0.0017416600000000, 0.0005147800000000, 0.0081206200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0261313600000000, 0.0000000000000000, 0.0694756800000000 ] - [ -0.0043330800000000, -0.0002993100000000, -0.0043496500000000 ] - [ -0.0049999900000000, 0.0000000000000000, -0.0053486500000000 ] - [ -0.0043330800000000, 0.0002993100000000, -0.0043496500000000 ] - [ -0.0052472600000000, 0.0000000000000000, -0.0061690600000000 ] - [ -0.0052072200000000, 0.0002042900000000, -0.0060668800000000 ] - [ -0.0051875600000000, 0.0000000000000000, -0.0056386500000000 ] - [ -0.0052072200000000, -0.0002042900000000, -0.0060668800000000 ] - [ 0.0049257900000000, -0.0002562400000000, 0.0054182300000000 ] - [ 0.0049257900000000, 0.0002562400000000, 0.0054182300000000 ] - [ 0.0050727000000000, 0.0000667400000000, 0.0054445300000000 ] - [ 0.0050727000000000, -0.0000667400000000, 0.0054445300000000 ] - [ 0.0047919500000000, 0.0001776800000000, 0.0055455300000000 ] - [ 0.0047919500000000, -0.0001776800000000, 0.0055455300000000 ] - [ 0.0049831500000000, -0.0001264000000000, 0.0055892100000000 ] - [ 0.0049831500000000, 0.0001264000000000, 0.0055892100000000 ] - [ 0.0045368000000000, -0.0026997900000000, -0.0083116600000000 ] - [ 0.0045368000000000, 0.0026997900000000, -0.0083116600000000 ] - [ 0.0054101000000000, 0.0002466700000000, -0.0056552900000000 ] - [ 0.0054101000000000, -0.0002466700000000, -0.0056552900000000 ] - [ 0.0073156600000000, 0.0013000300000000, -0.0082883800000000 ] - [ 0.0073156600000000, -0.0013000300000000, -0.0082883800000000 ] - [ 0.0054037800000000, -0.0001018400000000, -0.0056561800000000 ] - [ 0.0054037800000000, 0.0001018400000000, -0.0056561800000000 ] - [ -0.0058388100000000, 0.0000000000000000, 0.0060249800000000 ] - [ -0.0056859700000000, 0.0002425800000000, 0.0058612600000000 ] - [ -0.0054719300000000, 0.0000000000000000, 0.0057523600000000 ] - [ -0.0056859700000000, -0.0002425800000000, 0.0058612600000000 ] - [ -0.0052808800000000, 0.0000000000000000, 0.0050735700000000 ] - [ -0.0053237400000000, 0.0000621900000000, 0.0055255400000000 ] - [ -0.0052854100000000, 0.0000000000000000, 0.0055814400000000 ] - [ -0.0053237400000000, -0.0000621900000000, 0.0055255400000000 ] - [ -0.0004394700000000, 0.0000000000000000, -0.0133924700000000 ] - [ -0.0032177300000000, 0.0001872800000000, -0.0080047200000000 ] - [ -0.0033101100000000, 0.0000000000000000, -0.0080436900000000 ] - [ -0.0032177300000000, -0.0001872800000000, -0.0080047200000000 ] - [ -0.0071622200000000, 0.0000000000000000, -0.0118739100000000 ] - [ -0.0048385600000000, -0.0027084000000000, -0.0099368600000000 ] - [ -0.0033743100000000, 0.0000000000000000, -0.0078462300000000 ] - [ -0.0048385600000000, 0.0027084000000000, -0.0099368600000000 ] - [ -0.0075394400000000, 0.0000000000000000, 0.0057068300000000 ] - [ -0.0035304800000000, 0.0003414200000000, 0.0080593400000000 ] - [ -0.0033241900000000, 0.0000000000000000, 0.0079571500000000 ] - [ -0.0035304800000000, -0.0003414200000000, 0.0080593400000000 ] - [ -0.0030534400000000, 0.0000000000000000, 0.0079579200000000 ] - [ -0.0032456300000000, 0.0000435700000000, 0.0080658700000000 ] - [ -0.0033527100000000, 0.0000000000000000, 0.0080443600000000 ] - [ -0.0032456300000000, -0.0000435700000000, 0.0080658700000000 ] - [ 0.0023832400000000, -0.0008746700000000, -0.0073431400000000 ] - [ 0.0023832400000000, 0.0008746700000000, -0.0073431400000000 ] - [ 0.0032751800000000, 0.0002057000000000, -0.0079100900000000 ] - [ 0.0032751800000000, -0.0002057000000000, -0.0079100900000000 ] - [ 0.0034471900000000, -0.0000853100000000, -0.0087199600000000 ] - [ 0.0034471900000000, 0.0000853100000000, -0.0087199600000000 ] - [ 0.0034165900000000, -0.0000814700000000, -0.0081713000000000 ] - [ 0.0034165900000000, 0.0000814700000000, -0.0081713000000000 ] - [ 0.0036942300000000, -0.0001700000000000, 0.0090708400000000 ] - [ 0.0036942300000000, 0.0001700000000000, 0.0090708400000000 ] - [ 0.0033293500000000, -0.0000502200000000, 0.0081312200000000 ] - [ 0.0033293500000000, 0.0000502200000000, 0.0081312200000000 ] - [ 0.0033105000000000, -0.0000675100000000, 0.0070679200000000 ] - [ 0.0033105000000000, 0.0000675100000000, 0.0070679200000000 ] - [ 0.0032672200000000, -0.0001013100000000, 0.0076408800000000 ] - [ 0.0032672200000000, 0.0001013100000000, 0.0076408800000000 ] - [ 0.0106097100000000, 0.0000000000000000, -0.0125223300000000 ] - [ -0.0020582000000000, -0.0002260200000000, -0.0058524000000000 ] - [ -0.0019605000000000, 0.0000000000000000, -0.0059501000000000 ] - [ -0.0020582000000000, 0.0002260200000000, -0.0058524000000000 ] - [ -0.0021274300000000, 0.0000000000000000, -0.0055656000000000 ] - [ -0.0019391600000000, 0.0000428900000000, -0.0057286100000000 ] - [ -0.0019817900000000, 0.0000000000000000, -0.0058849000000000 ] - [ -0.0019391600000000, -0.0000428900000000, -0.0057286100000000 ] - [ 0.0023518800000000, -0.0001383500000000, -0.0057107500000000 ] - [ 0.0023518800000000, 0.0001383500000000, -0.0057107500000000 ] - [ 0.0018881200000000, -0.0000586600000000, -0.0058763900000000 ] - [ 0.0018881200000000, 0.0000586600000000, -0.0058763900000000 ] - [ 0.0016665300000000, 0.0000134700000000, -0.0062198900000000 ] - [ 0.0016665300000000, -0.0000134700000000, -0.0062198900000000 ] - [ 0.0018852300000000, -0.0000153900000000, -0.0059970600000000 ] - [ 0.0018852300000000, 0.0000153900000000, -0.0059970600000000 ] - [ 0.0019433300000000, 0.0001679900000000, 0.0056413000000000 ] - [ 0.0019433300000000, -0.0001679900000000, 0.0056413000000000 ] - [ 0.0019441800000000, -0.0000211000000000, 0.0058706000000000 ] - [ 0.0019441800000000, 0.0000211000000000, 0.0058706000000000 ] - [ 0.0019627000000000, -0.0003653400000000, 0.0062471300000000 ] - [ 0.0019627000000000, 0.0003653400000000, 0.0062471300000000 ] - [ 0.0021910400000000, 0.0004496100000000, 0.0061492500000000 ] - [ 0.0021910400000000, -0.0004496100000000, 0.0061492500000000 ] - [ -0.0019952800000000, 0.0000000000000000, 0.0059455500000000 ] - [ -0.0018465800000000, -0.0001533400000000, 0.0058377800000000 ] - [ -0.0018741400000000, 0.0000000000000000, 0.0059025800000000 ] - [ -0.0018465800000000, 0.0001533400000000, 0.0058377800000000 ] - [ -0.0019639400000000, 0.0000000000000000, 0.0063032600000000 ] - [ -0.0018919500000000, -0.0000727400000000, 0.0060056000000000 ] - [ -0.0019143500000000, 0.0000000000000000, 0.0059839500000000 ] - [ -0.0018919500000000, 0.0000727400000000, 0.0060056000000000 ] - [ -0.0027417700000000, 0.0000000000000000, -0.0080196200000000 ] - [ -0.0021048100000000, -0.0001126000000000, -0.0084710400000000 ] - [ -0.0022163300000000, 0.0000000000000000, -0.0086263000000000 ] - [ -0.0021048100000000, 0.0001126000000000, -0.0084710400000000 ] - [ -0.0013756000000000, 0.0000000000000000, -0.0101251500000000 ] - [ -0.0018087800000000, -0.0000354200000000, -0.0096251800000000 ] - [ -0.0022384800000000, 0.0000000000000000, -0.0092193900000000 ] - [ -0.0018087800000000, 0.0000354200000000, -0.0096251800000000 ] - [ -0.0093018200000000, 0.0168754300000000, -0.0081944800000000 ] - [ -0.0093018200000000, -0.0168754300000000, -0.0081944800000000 ] - [ 0.0020078000000000, 0.0002822700000000, 0.0083164300000000 ] - [ 0.0020078000000000, -0.0002822700000000, 0.0083164300000000 ] - [ 0.0013157200000000, 0.0007841900000000, 0.0106130700000000 ] - [ 0.0013157200000000, -0.0007841900000000, 0.0106130700000000 ] - [ 0.0021213100000000, -0.0000745400000000, 0.0091078900000000 ] - [ 0.0021213100000000, 0.0000745400000000, 0.0091078900000000 ] - [ 0.0031928500000000, 0.0006627600000000, -0.0093795900000000 ] - [ 0.0031928500000000, -0.0006627600000000, -0.0093795900000000 ] - [ 0.0026867900000000, -0.0002840400000000, -0.0089125500000000 ] - [ 0.0026867900000000, 0.0002840400000000, -0.0089125500000000 ] - [ 0.0028730000000000, 0.0002103600000000, -0.0083704200000000 ] - [ 0.0028730000000000, -0.0002103600000000, -0.0083704200000000 ] - [ 0.0026762700000000, -0.0000845200000000, -0.0086968900000000 ] - [ 0.0026762700000000, 0.0000845200000000, -0.0086968900000000 ] - [ -0.0156244400000000, 0.0000000000000000, -0.0035541200000000 ] - [ -0.0024282500000000, -0.0014531800000000, 0.0077962400000000 ] - [ -0.0025954700000000, 0.0000000000000000, 0.0087010700000000 ] - [ -0.0024282500000000, 0.0014531800000000, 0.0077962400000000 ] - [ -0.0035030700000000, 0.0000000000000000, 0.0101269000000000 ] - [ -0.0030863100000000, 0.0005179300000000, 0.0095874200000000 ] - [ -0.0026045800000000, 0.0000000000000000, 0.0089552000000000 ] - [ -0.0030863100000000, -0.0005179300000000, 0.0095874200000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0037747900000000, 0.0000000000000000, -0.0084697800000000 ] - [ -0.0054159500000000, -0.0000535200000000, -0.0057217100000000 ] - [ -0.0053464700000000, 0.0000000000000000, -0.0056227700000000 ] - [ -0.0054159500000000, 0.0000535200000000, -0.0057217100000000 ] - [ -0.0031611700000000, 0.0000000000000000, -0.0017690700000000 ] - [ -0.0039363100000000, -0.0023626300000000, -0.0040972400000000 ] - [ -0.0052562400000000, 0.0000000000000000, -0.0055746500000000 ] - [ -0.0039363100000000, 0.0023626300000000, -0.0040972400000000 ] - [ 0.0127670900000000, -0.0049836300000000, 0.0052315900000000 ] - [ 0.0127670900000000, 0.0049836300000000, 0.0052315900000000 ] - [ 0.0051296300000000, 0.0001792700000000, 0.0056259600000000 ] - [ 0.0051296300000000, -0.0001792700000000, 0.0056259600000000 ] - [ 0.0052287200000000, -0.0000723000000000, 0.0056422400000000 ] - [ 0.0052287200000000, 0.0000723000000000, 0.0056422400000000 ] - [ 0.0053415300000000, 0.0001646900000000, 0.0056668300000000 ] - [ 0.0053415300000000, -0.0001646900000000, 0.0056668300000000 ] - [ 0.0083162000000000, 0.0013450200000000, -0.0065658900000000 ] - [ 0.0083162000000000, -0.0013450200000000, -0.0065658900000000 ] - [ 0.0054245500000000, -0.0001222900000000, -0.0056664100000000 ] - [ 0.0054245500000000, 0.0001222900000000, -0.0056664100000000 ] - [ 0.0054105400000000, 0.0001497700000000, -0.0055065700000000 ] - [ 0.0054105400000000, -0.0001497700000000, -0.0055065700000000 ] - [ 0.0053419100000000, -0.0000583400000000, -0.0055245000000000 ] - [ 0.0053419100000000, 0.0000583400000000, -0.0055245000000000 ] - [ -0.0050909200000000, 0.0000000000000000, 0.0058948200000000 ] - [ -0.0051949400000000, 0.0001910700000000, 0.0056830800000000 ] - [ -0.0052291800000000, 0.0000000000000000, 0.0055754300000000 ] - [ -0.0051949400000000, -0.0001910700000000, 0.0056830800000000 ] - [ -0.0005256400000000, 0.0000000000000000, 0.0013701200000000 ] - [ -0.0051263900000000, 0.0002253400000000, 0.0054010800000000 ] - [ -0.0051791700000000, 0.0000000000000000, 0.0056238700000000 ] - [ -0.0051263900000000, -0.0002253400000000, 0.0054010800000000 ] - [ -0.0711146800000000, 0.0000000000000000, -0.0193939500000000 ] - [ -0.0040520100000000, -0.0004202600000000, -0.0082918600000000 ] - [ -0.0036056300000000, 0.0000000000000000, -0.0082521100000000 ] - [ -0.0040520100000000, 0.0004202600000000, -0.0082918600000000 ] - [ -0.0035080600000000, 0.0000000000000000, -0.0079219600000000 ] - [ -0.0035250900000000, 0.0000879200000000, -0.0080383200000000 ] - [ -0.0033976700000000, 0.0000000000000000, -0.0079917100000000 ] - [ -0.0035250900000000, -0.0000879200000000, -0.0080383200000000 ] - [ -0.0026236100000000, 0.0000000000000000, 0.0079325500000000 ] - [ -0.0025813200000000, -0.0000308200000000, 0.0078819100000000 ] - [ -0.0032618300000000, 0.0000000000000000, 0.0079418600000000 ] - [ -0.0025813200000000, 0.0000308200000000, 0.0078819100000000 ] - [ -0.0027107900000000, 0.0000000000000000, 0.0077506200000000 ] - [ -0.0030261500000000, 0.0001277400000000, 0.0079182500000000 ] - [ -0.0032264800000000, 0.0000000000000000, 0.0079579500000000 ] - [ -0.0030261500000000, -0.0001277400000000, 0.0079182500000000 ] - [ 0.0037740600000000, 0.0000605300000000, -0.0081188700000000 ] - [ 0.0037740600000000, -0.0000605300000000, -0.0081188700000000 ] - [ 0.0035101100000000, -0.0000748800000000, -0.0080786900000000 ] - [ 0.0035101100000000, 0.0000748800000000, -0.0080786900000000 ] - [ 0.0038059600000000, -0.0001335600000000, -0.0080596000000000 ] - [ 0.0038059600000000, 0.0001335600000000, -0.0080596000000000 ] - [ 0.0034801600000000, 0.0000093000000000, -0.0080143600000000 ] - [ 0.0034801600000000, -0.0000093000000000, -0.0080143600000000 ] - [ 0.0040800700000000, -0.0016337300000000, 0.0107085900000000 ] - [ 0.0040800700000000, 0.0016337300000000, 0.0107085900000000 ] - [ 0.0032607300000000, 0.0000196600000000, 0.0078835600000000 ] - [ 0.0032607300000000, -0.0000196600000000, 0.0078835600000000 ] - [ 0.0019748900000000, -0.0009665700000000, 0.0070946200000000 ] - [ 0.0019748900000000, 0.0009665700000000, 0.0070946200000000 ] - [ 0.0031077900000000, 0.0001675900000000, 0.0079301800000000 ] - [ 0.0031077900000000, -0.0001675900000000, 0.0079301800000000 ] - [ -0.0027643500000000, 0.0000000000000000, -0.0036117400000000 ] - [ -0.0018712900000000, -0.0000409100000000, -0.0059009900000000 ] - [ -0.0018731400000000, 0.0000000000000000, -0.0060288300000000 ] - [ -0.0018712900000000, 0.0000409100000000, -0.0059009900000000 ] - [ -0.0018000800000000, 0.0000000000000000, -0.0059827300000000 ] - [ -0.0016592900000000, -0.0001600400000000, -0.0059933300000000 ] - [ -0.0018491600000000, 0.0000000000000000, -0.0059788400000000 ] - [ -0.0016592900000000, 0.0001600400000000, -0.0059933300000000 ] - [ 0.0015650800000000, 0.0001203500000000, -0.0061287000000000 ] - [ 0.0015650800000000, -0.0001203500000000, -0.0061287000000000 ] - [ 0.0018623500000000, -0.0000154900000000, -0.0059830400000000 ] - [ 0.0018623500000000, 0.0000154900000000, -0.0059830400000000 ] - [ 0.0018713800000000, 0.0000543200000000, -0.0059884600000000 ] - [ 0.0018713800000000, -0.0000543200000000, -0.0059884600000000 ] - [ 0.0018783500000000, -0.0000419300000000, -0.0059753200000000 ] - [ 0.0018783500000000, 0.0000419300000000, -0.0059753200000000 ] - [ 0.0066217000000000, -0.0083522500000000, 0.0090176200000000 ] - [ 0.0066217000000000, 0.0083522500000000, 0.0090176200000000 ] - [ 0.0019741100000000, 0.0000897400000000, 0.0061231000000000 ] - [ 0.0019741100000000, -0.0000897400000000, 0.0061231000000000 ] - [ 0.0019586300000000, -0.0000302500000000, 0.0060398600000000 ] - [ 0.0019586300000000, 0.0000302500000000, 0.0060398600000000 ] - [ 0.0018908200000000, 0.0000170900000000, 0.0060085500000000 ] - [ 0.0018908200000000, -0.0000170900000000, 0.0060085500000000 ] - [ -0.0019129300000000, 0.0000000000000000, 0.0060868600000000 ] - [ -0.0019364100000000, 0.0000340300000000, 0.0060339100000000 ] - [ -0.0019239400000000, 0.0000000000000000, 0.0060285000000000 ] - [ -0.0019364100000000, -0.0000340300000000, 0.0060339100000000 ] - [ -0.0022708300000000, 0.0000000000000000, 0.0059041900000000 ] - [ -0.0019584800000000, 0.0000097400000000, 0.0060228100000000 ] - [ -0.0019296900000000, 0.0000000000000000, 0.0060213300000000 ] - [ -0.0019584800000000, -0.0000097400000000, 0.0060228100000000 ] - [ 0.0184759200000000, 0.0000000000000000, -0.0162530100000000 ] - [ -0.0009670200000000, -0.0010039400000000, -0.0079971500000000 ] - [ -0.0023339800000000, 0.0000000000000000, -0.0087963000000000 ] - [ -0.0009670200000000, 0.0010039400000000, -0.0079971500000000 ] - [ -0.0023399900000000, 0.0000000000000000, -0.0091897000000000 ] - [ -0.0024226700000000, -0.0004654300000000, -0.0090095400000000 ] - [ -0.0023388000000000, 0.0000000000000000, -0.0087840700000000 ] - [ -0.0024226700000000, 0.0004654300000000, -0.0090095400000000 ] - [ 0.0031956900000000, -0.0004274500000000, 0.0088302900000000 ] - [ 0.0031956900000000, 0.0004274500000000, 0.0088302900000000 ] - [ 0.0025385900000000, 0.0000221800000000, 0.0088977600000000 ] - [ 0.0025385900000000, -0.0000221800000000, 0.0088977600000000 ] - [ 0.0069428800000000, 0.0034198300000000, 0.0136402100000000 ] - [ 0.0069428800000000, -0.0034198300000000, 0.0136402100000000 ] - [ 0.0029005700000000, 0.0006125600000000, 0.0093501100000000 ] - [ 0.0029005700000000, -0.0006125600000000, 0.0093501100000000 ] - [ 0.0006046100000000, -0.0000619800000000, -0.0101973900000000 ] - [ 0.0006046100000000, 0.0000619800000000, -0.0101973900000000 ] - [ 0.0022470800000000, -0.0001258000000000, -0.0088481400000000 ] - [ 0.0022470800000000, 0.0001258000000000, -0.0088481400000000 ] - [ 0.0017219900000000, 0.0010839800000000, -0.0081761200000000 ] - [ 0.0017219900000000, -0.0010839800000000, -0.0081761200000000 ] - [ 0.0022301300000000, -0.0001630100000000, -0.0088104200000000 ] - [ 0.0022301300000000, 0.0001630100000000, -0.0088104200000000 ] - [ -0.0032061700000000, 0.0000000000000000, 0.0096693700000000 ] - [ -0.0028976500000000, 0.0007404300000000, 0.0095354800000000 ] - [ -0.0024989500000000, 0.0000000000000000, 0.0089468800000000 ] - [ -0.0028976500000000, -0.0007404300000000, 0.0095354800000000 ] - [ -0.0039828700000000, 0.0000000000000000, 0.0081958000000000 ] - [ -0.0032938800000000, 0.0000149100000000, 0.0084785200000000 ] - [ -0.0026247300000000, 0.0000000000000000, 0.0088140800000000 ] - [ -0.0032938800000000, -0.0000149100000000, 0.0084785200000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0067434500000000, 0.0000000000000000, -0.0026726400000000 ] - [ -0.0050827700000000, 0.0000589200000000, -0.0054310500000000 ] - [ -0.0051860100000000, 0.0000000000000000, -0.0055232400000000 ] - [ -0.0050827700000000, -0.0000589200000000, -0.0054310500000000 ] - [ -0.0073441000000000, 0.0000000000000000, -0.0094000500000000 ] - [ -0.0066337800000000, 0.0023670000000000, -0.0070469600000000 ] - [ -0.0051740100000000, 0.0000000000000000, -0.0055982200000000 ] - [ -0.0066337800000000, -0.0023670000000000, -0.0070469600000000 ] - [ -0.0021784200000000, 0.0049013900000000, 0.0059254800000000 ] - [ -0.0021784200000000, -0.0049013900000000, 0.0059254800000000 ] - [ 0.0053609100000000, -0.0001816800000000, 0.0055451300000000 ] - [ 0.0053609100000000, 0.0001816800000000, 0.0055451300000000 ] - [ 0.0052786400000000, 0.0000813500000000, 0.0055176600000000 ] - [ 0.0052786400000000, -0.0000813500000000, 0.0055176600000000 ] - [ 0.0051954900000000, -0.0001649000000000, 0.0054843400000000 ] - [ 0.0051954900000000, 0.0001649000000000, 0.0054843400000000 ] - [ 0.0021103200000000, -0.0013696000000000, -0.0046152300000000 ] - [ 0.0021103200000000, 0.0013696000000000, -0.0046152300000000 ] - [ 0.0050723800000000, 0.0001228800000000, -0.0055004200000000 ] - [ 0.0050723800000000, -0.0001228800000000, -0.0055004200000000 ] - [ 0.0050816500000000, -0.0001437600000000, -0.0056684100000000 ] - [ 0.0050816500000000, 0.0001437600000000, -0.0056684100000000 ] - [ 0.0051655600000000, 0.0000606600000000, -0.0056431600000000 ] - [ 0.0051655600000000, -0.0000606600000000, -0.0056431600000000 ] - [ -0.0053944600000000, 0.0000000000000000, 0.0052792000000000 ] - [ -0.0053404200000000, -0.0001901400000000, 0.0054849900000000 ] - [ -0.0053088700000000, 0.0000000000000000, 0.0055869200000000 ] - [ -0.0053404200000000, 0.0001901400000000, 0.0054849900000000 ] - [ -0.0099946500000000, 0.0000000000000000, 0.0097461400000000 ] - [ -0.0053999700000000, -0.0002238000000000, 0.0057630800000000 ] - [ -0.0052565100000000, 0.0000000000000000, 0.0055643900000000 ] - [ -0.0053999700000000, 0.0002238000000000, 0.0057630800000000 ] - [ 0.0633592900000000, 0.0000000000000000, 0.0042124500000000 ] - [ -0.0026009600000000, 0.0003908100000000, -0.0076968500000000 ] - [ -0.0030474100000000, 0.0000000000000000, -0.0077696200000000 ] - [ -0.0026009600000000, -0.0003908100000000, -0.0076968500000000 ] - [ -0.0031505600000000, 0.0000000000000000, -0.0080850300000000 ] - [ -0.0031445300000000, -0.0000962100000000, -0.0079913500000000 ] - [ -0.0032773100000000, 0.0000000000000000, -0.0079985000000000 ] - [ -0.0031445300000000, 0.0000962100000000, -0.0079913500000000 ] - [ -0.0040078600000000, 0.0000000000000000, 0.0080767400000000 ] - [ -0.0040694500000000, 0.0000211100000000, 0.0081064700000000 ] - [ -0.0034008100000000, 0.0000000000000000, 0.0080057000000000 ] - [ -0.0040694500000000, -0.0000211100000000, 0.0081064700000000 ] - [ -0.0039550100000000, 0.0000000000000000, 0.0082235500000000 ] - [ -0.0036387600000000, -0.0001269100000000, 0.0080614800000000 ] - [ -0.0034347200000000, 0.0000000000000000, 0.0080362900000000 ] - [ -0.0036387600000000, 0.0001269100000000, 0.0080614800000000 ] - [ 0.0028864200000000, -0.0000525400000000, -0.0078671500000000 ] - [ 0.0028864200000000, 0.0000525400000000, -0.0078671500000000 ] - [ 0.0031600400000000, 0.0000786800000000, -0.0079025100000000 ] - [ 0.0031600400000000, -0.0000786800000000, -0.0079025100000000 ] - [ 0.0028844800000000, 0.0001123100000000, -0.0079190500000000 ] - [ 0.0028844800000000, -0.0001123100000000, -0.0079190500000000 ] - [ 0.0031666200000000, 0.0000341600000000, -0.0079615700000000 ] - [ 0.0031666200000000, -0.0000341600000000, -0.0079615700000000 ] - [ 0.0025667300000000, 0.0016463300000000, 0.0052733700000000 ] - [ 0.0025667300000000, -0.0016463300000000, 0.0052733700000000 ] - [ 0.0034193000000000, -0.0000338500000000, 0.0081183200000000 ] - [ 0.0034193000000000, 0.0000338500000000, 0.0081183200000000 ] - [ 0.0046911700000000, 0.0009857200000000, 0.0089289300000000 ] - [ 0.0046911700000000, -0.0009857200000000, 0.0089289300000000 ] - [ 0.0035471100000000, -0.0001335700000000, 0.0080816300000000 ] - [ 0.0035471100000000, 0.0001335700000000, 0.0080816300000000 ] - [ -0.0010113300000000, 0.0000000000000000, -0.0085537000000000 ] - [ -0.0019264600000000, 0.0000468400000000, -0.0061047700000000 ] - [ -0.0019191800000000, 0.0000000000000000, -0.0059905500000000 ] - [ -0.0019264600000000, -0.0000468400000000, -0.0061047700000000 ] - [ -0.0019899500000000, 0.0000000000000000, -0.0060095900000000 ] - [ -0.0021108900000000, 0.0001612700000000, -0.0060041700000000 ] - [ -0.0019374900000000, 0.0000000000000000, -0.0059983600000000 ] - [ -0.0021108900000000, -0.0001612700000000, -0.0060041700000000 ] - [ 0.0022344900000000, -0.0001328300000000, -0.0058598600000000 ] - [ 0.0022344900000000, 0.0001328300000000, -0.0058598600000000 ] - [ 0.0019178500000000, 0.0000294900000000, -0.0060308000000000 ] - [ 0.0019178500000000, -0.0000294900000000, -0.0060308000000000 ] - [ 0.0019269500000000, -0.0000579200000000, -0.0060083700000000 ] - [ 0.0019269500000000, 0.0000579200000000, -0.0060083700000000 ] - [ 0.0019259900000000, 0.0000398000000000, -0.0060206500000000 ] - [ 0.0019259900000000, -0.0000398000000000, -0.0060206500000000 ] - [ -0.0027438300000000, 0.0080702500000000, 0.0031328300000000 ] - [ -0.0027438300000000, -0.0080702500000000, 0.0031328300000000 ] - [ 0.0018329300000000, -0.0000894200000000, 0.0058815900000000 ] - [ 0.0018329300000000, 0.0000894200000000, 0.0058815900000000 ] - [ 0.0018267300000000, 0.0000487600000000, 0.0059490600000000 ] - [ 0.0018267300000000, -0.0000487600000000, 0.0059490600000000 ] - [ 0.0018799100000000, 0.0000027400000000, 0.0059907000000000 ] - [ 0.0018799100000000, -0.0000027400000000, 0.0059907000000000 ] - [ -0.0018720700000000, 0.0000000000000000, 0.0058986900000000 ] - [ -0.0018472000000000, -0.0000409300000000, 0.0059795700000000 ] - [ -0.0018595100000000, 0.0000000000000000, 0.0059686500000000 ] - [ -0.0018472000000000, 0.0000409300000000, 0.0059795700000000 ] - [ -0.0014835000000000, 0.0000000000000000, 0.0061020500000000 ] - [ -0.0018070000000000, -0.0000105400000000, 0.0060000400000000 ] - [ -0.0018438200000000, 0.0000000000000000, 0.0059781700000000 ] - [ -0.0018070000000000, 0.0000105400000000, 0.0060000400000000 ] - [ -0.0224851800000000, 0.0000000000000000, -0.0021445200000000 ] - [ -0.0038652300000000, 0.0009936200000000, -0.0096923500000000 ] - [ -0.0025342600000000, 0.0000000000000000, -0.0089082600000000 ] - [ -0.0038652300000000, -0.0009936200000000, -0.0096923500000000 ] - [ -0.0024965100000000, 0.0000000000000000, -0.0084950800000000 ] - [ -0.0024222400000000, 0.0004656500000000, -0.0086975300000000 ] - [ -0.0024998600000000, 0.0000000000000000, -0.0089269200000000 ] - [ -0.0024222400000000, -0.0004656500000000, -0.0086975300000000 ] - [ 0.0016500900000000, 0.0004143900000000, 0.0088804700000000 ] - [ 0.0016500900000000, -0.0004143900000000, 0.0088804700000000 ] - [ 0.0022998900000000, -0.0000294100000000, 0.0088095600000000 ] - [ 0.0022998900000000, 0.0000294100000000, 0.0088095600000000 ] - [ -0.0020972600000000, -0.0035428400000000, 0.0039394200000000 ] - [ -0.0020972600000000, 0.0035428400000000, 0.0039394200000000 ] - [ 0.0019469800000000, -0.0005936400000000, 0.0083372200000000 ] - [ 0.0019469800000000, 0.0005936400000000, 0.0083372200000000 ] - [ 0.0042394400000000, 0.0000665000000000, -0.0075194500000000 ] - [ 0.0042394400000000, -0.0000665000000000, -0.0075194500000000 ] - [ 0.0025922500000000, 0.0001213300000000, -0.0088613700000000 ] - [ 0.0025922500000000, -0.0001213300000000, -0.0088613700000000 ] - [ 0.0031131700000000, -0.0010856900000000, -0.0095379100000000 ] - [ 0.0031131700000000, 0.0010856900000000, -0.0095379100000000 ] - [ 0.0026268300000000, 0.0001744900000000, -0.0088915800000000 ] - [ 0.0026268300000000, -0.0001744900000000, -0.0088915800000000 ] - [ -0.0016686200000000, 0.0000000000000000, 0.0080221000000000 ] - [ -0.0019603600000000, -0.0007418700000000, 0.0081548900000000 ] - [ -0.0023454600000000, 0.0000000000000000, 0.0087635100000000 ] - [ -0.0019603600000000, 0.0007418700000000, 0.0081548900000000 ] - [ -0.0008512300000000, 0.0000000000000000, 0.0095092200000000 ] - [ -0.0015540100000000, -0.0000217300000000, 0.0092323300000000 ] - [ -0.0022390800000000, 0.0000000000000000, 0.0088884100000000 ] - [ -0.0015540100000000, 0.0000217300000000, 0.0092323300000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0051974600000000, -0.0005586800000000, -0.0055644200000000 ] - [ -0.0052429900000000, 0.0000508500000000, -0.0053748700000000 ] - [ -0.0052146900000000, 0.0003953600000000, -0.0055528100000000 ] - [ -0.0051721000000000, 0.0000560400000000, -0.0057603400000000 ] - [ -0.0052127500000000, -0.0023977600000000, -0.0055454900000000 ] - [ -0.0076011700000000, 0.0045565600000000, -0.0082576600000000 ] - [ -0.0052429900000000, 0.0018363800000000, -0.0055551900000000 ] - [ -0.0027850700000000, 0.0045229200000000, -0.0029002200000000 ] - [ -0.0009350200000000, 0.0021873200000000, 0.0057413300000000 ] - [ 0.0114409700000000, 0.0021794300000000, 0.0053731200000000 ] - [ 0.0053308500000000, 0.0005351100000000, 0.0056087400000000 ] - [ 0.0051174900000000, 0.0005468700000000, 0.0055029300000000 ] - [ 0.0049655200000000, -0.0003329600000000, 0.0056274100000000 ] - [ 0.0054754800000000, -0.0003291700000000, 0.0054792600000000 ] - [ 0.0053484600000000, 0.0004986800000000, 0.0056667200000000 ] - [ 0.0050833800000000, 0.0005102100000000, 0.0054463100000000 ] - [ 0.0077181700000000, 0.0001696900000000, -0.0064337800000000 ] - [ 0.0027088600000000, 0.0001689700000000, -0.0046851900000000 ] - [ 0.0050284800000000, 0.0003900300000000, -0.0053485700000000 ] - [ 0.0054371200000000, 0.0003860100000000, -0.0057531000000000 ] - [ 0.0053796200000000, -0.0002920700000000, -0.0056376800000000 ] - [ 0.0050722600000000, -0.0002873600000000, -0.0054752600000000 ] - [ 0.0050795700000000, 0.0003343100000000, -0.0056407800000000 ] - [ 0.0053619600000000, 0.0003384800000000, -0.0054720200000000 ] - [ -0.0052203900000000, -0.0005652500000000, 0.0055720200000000 ] - [ -0.0050193300000000, 0.0001017400000000, 0.0055239800000000 ] - [ -0.0052105400000000, 0.0003554500000000, 0.0055603800000000 ] - [ -0.0054059500000000, 0.0000976200000000, 0.0055954400000000 ] - [ -0.0051860800000000, -0.0002521800000000, 0.0055880400000000 ] - [ -0.0048665000000000, 0.0000393900000000, 0.0052101900000000 ] - [ -0.0052080100000000, 0.0003208400000000, 0.0055716300000000 ] - [ -0.0056084000000000, 0.0000431000000000, 0.0058922900000000 ] - [ -0.0035927800000000, -0.0866214100000000, -0.0079701300000000 ] - [ -0.0029257600000000, 0.0094405200000000, -0.0088664900000000 ] - [ -0.0033323100000000, 0.0025552900000000, -0.0080390400000000 ] - [ -0.0037463900000000, 0.0092795700000000, -0.0072331900000000 ] - [ -0.0033276100000000, -0.0004942800000000, -0.0080580600000000 ] - [ -0.0034157400000000, 0.0002214000000000, -0.0083219500000000 ] - [ -0.0033222600000000, 0.0004498300000000, -0.0080750900000000 ] - [ -0.0032328000000000, 0.0002180600000000, -0.0077162800000000 ] - [ -0.0033344800000000, -0.0006978400000000, 0.0079992500000000 ] - [ -0.0033220700000000, 0.0003730100000000, 0.0081860600000000 ] - [ -0.0033404000000000, 0.0003780700000000, 0.0080412600000000 ] - [ -0.0033399600000000, 0.0003959500000000, 0.0079429800000000 ] - [ -0.0033337200000000, -0.0003267800000000, 0.0080419000000000 ] - [ -0.0034691900000000, 0.0000293800000000, 0.0079518000000000 ] - [ -0.0033287700000000, 0.0003257200000000, 0.0080407700000000 ] - [ -0.0031903000000000, 0.0000277600000000, 0.0081378700000000 ] - [ 0.0032003000000000, -0.0002722000000000, -0.0081592200000000 ] - [ 0.0034400000000000, -0.0002714400000000, -0.0079118600000000 ] - [ 0.0032914000000000, 0.0002794500000000, -0.0080005400000000 ] - [ 0.0033517700000000, 0.0002813600000000, -0.0080912400000000 ] - [ 0.0033294500000000, -0.0002468100000000, -0.0080015700000000 ] - [ 0.0032957800000000, -0.0003251700000000, -0.0080693600000000 ] - [ 0.0032519100000000, 0.0003171300000000, -0.0080750100000000 ] - [ 0.0034035000000000, 0.0002733600000000, -0.0080396900000000 ] - [ 0.0017089600000000, 0.0027391300000000, 0.0029275000000000 ] - [ 0.0049323900000000, 0.0027208400000000, 0.0132007800000000 ] - [ 0.0033632900000000, 0.0004463900000000, 0.0081280400000000 ] - [ 0.0032852500000000, 0.0004564500000000, 0.0079814600000000 ] - [ 0.0022887800000000, 0.0004205000000000, 0.0105037300000000 ] - [ 0.0043466900000000, 0.0004901100000000, 0.0055565800000000 ] - [ 0.0034755100000000, 0.0005615000000000, 0.0078596600000000 ] - [ 0.0031831800000000, 0.0006546700000000, 0.0082205700000000 ] - [ -0.0019497500000000, -0.0028081500000000, -0.0060233900000000 ] - [ -0.0018063800000000, -0.0002814900000000, -0.0061877600000000 ] - [ -0.0019601300000000, -0.0002599800000000, -0.0059398000000000 ] - [ -0.0021194200000000, -0.0002907700000000, -0.0057027600000000 ] - [ -0.0019552000000000, -0.0000125800000000, -0.0059455700000000 ] - [ -0.0019742100000000, 0.0001012600000000, -0.0059478700000000 ] - [ -0.0019560800000000, -0.0001858100000000, -0.0059448300000000 ] - [ -0.0019093900000000, 0.0001073100000000, -0.0059316400000000 ] - [ 0.0016676200000000, 0.0001486500000000, -0.0060897800000000 ] - [ 0.0022256800000000, 0.0001304500000000, -0.0058015500000000 ] - [ 0.0020080900000000, -0.0000870400000000, -0.0059216600000000 ] - [ 0.0018925000000000, -0.0001001800000000, -0.0059610300000000 ] - [ 0.0019035200000000, 0.0000193800000000, -0.0058967600000000 ] - [ 0.0019904200000000, 0.0000165100000000, -0.0059918800000000 ] - [ 0.0020105800000000, -0.0000266900000000, -0.0059642500000000 ] - [ 0.0018939900000000, -0.0000243100000000, -0.0059204500000000 ] - [ -0.0050754300000000, 0.0118984000000000, 0.0028701000000000 ] - [ 0.0095816100000000, 0.0127144200000000, 0.0094410500000000 ] - [ 0.0017313500000000, -0.0004984300000000, 0.0056572500000000 ] - [ 0.0021681200000000, -0.0004916300000000, 0.0062231100000000 ] - [ 0.0017609100000000, 0.0001927000000000, 0.0055508000000000 ] - [ 0.0021310700000000, 0.0002178500000000, 0.0063543400000000 ] - [ 0.0019527000000000, -0.0001185400000000, 0.0060225100000000 ] - [ 0.0019451600000000, -0.0000857000000000, 0.0058637300000000 ] - [ -0.0019601900000000, 0.0000274500000000, 0.0059488700000000 ] - [ -0.0020407900000000, 0.0000131200000000, 0.0059780400000000 ] - [ -0.0019571100000000, -0.0000619600000000, 0.0059415300000000 ] - [ -0.0018663400000000, 0.0000076800000000, 0.0059032600000000 ] - [ -0.0019566200000000, 0.0001501000000000, 0.0059466700000000 ] - [ -0.0020501500000000, -0.0000104200000000, 0.0059910200000000 ] - [ -0.0019591800000000, -0.0001039300000000, 0.0059407600000000 ] - [ -0.0018572500000000, 0.0000033200000000, 0.0058947200000000 ] - [ -0.0024844900000000, 0.0059041100000000, -0.0088294500000000 ] - [ -0.0026915400000000, -0.0001025800000000, -0.0081196700000000 ] - [ -0.0024188900000000, -0.0011729600000000, -0.0088441800000000 ] - [ -0.0021686700000000, -0.0001334300000000, -0.0096042500000000 ] - [ -0.0024187800000000, 0.0022192200000000, -0.0088470700000000 ] - [ -0.0030381100000000, -0.0007455500000000, -0.0091427200000000 ] - [ -0.0024260900000000, -0.0009835300000000, -0.0088497600000000 ] - [ -0.0018035400000000, -0.0007536400000000, -0.0085509800000000 ] - [ 0.0016421900000000, 0.0008113000000000, 0.0090863600000000 ] - [ 0.0032017700000000, 0.0008161800000000, 0.0086115300000000 ] - [ 0.0025980800000000, -0.0007765500000000, 0.0088679100000000 ] - [ 0.0022458500000000, -0.0007788600000000, 0.0088280900000000 ] - [ 0.0065990400000000, 0.0106870300000000, 0.0150475900000000 ] - [ -0.0020574800000000, 0.0110812000000000, 0.0022251500000000 ] - [ 0.0026533100000000, -0.0032520200000000, 0.0090071400000000 ] - [ 0.0021943300000000, -0.0032345200000000, 0.0086897900000000 ] - [ 0.0036297900000000, 0.0006946300000000, -0.0076740400000000 ] - [ 0.0012230800000000, 0.0006946800000000, -0.0100258000000000 ] - [ 0.0022706800000000, -0.0005810600000000, -0.0090866900000000 ] - [ 0.0025711900000000, -0.0005812200000000, -0.0086203500000000 ] - [ 0.0026423000000000, 0.0004659300000000, -0.0088623400000000 ] - [ 0.0022065700000000, 0.0004632000000000, -0.0088453100000000 ] - [ 0.0023015900000000, -0.0004672200000000, -0.0088108000000000 ] - [ 0.0025450800000000, -0.0004758800000000, -0.0088874000000000 ] - [ -0.0024185900000000, 0.0018390200000000, 0.0088403700000000 ] - [ -0.0021339400000000, -0.0005179500000000, 0.0082711600000000 ] - [ -0.0024175000000000, -0.0007408800000000, 0.0088502100000000 ] - [ -0.0027023800000000, -0.0005170400000000, 0.0094173100000000 ] - [ -0.0024237100000000, 0.0006515200000000, 0.0088541900000000 ] - [ -0.0012153900000000, 0.0000926700000000, 0.0097019400000000 ] - [ -0.0024191700000000, -0.0006804300000000, 0.0088565200000000 ] - [ -0.0036086600000000, 0.0000882400000000, 0.0079949100000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0087199000000000, 0.0000000000000000, -0.0001905500000000 ] - [ -0.0053793500000000, 0.0001987100000000, -0.0055886800000000 ] - [ -0.0052909800000000, 0.0000000000000000, -0.0055525100000000 ] - [ -0.0053793500000000, -0.0001987100000000, -0.0055886800000000 ] - [ -0.0020284200000000, 0.0000000000000000, -0.0017177200000000 ] - [ -0.0038922300000000, -0.0024346900000000, -0.0036710200000000 ] - [ -0.0053359000000000, 0.0000000000000000, -0.0057485300000000 ] - [ -0.0038922300000000, 0.0024346900000000, -0.0036710200000000 ] - [ 0.0072079700000000, -0.0007684000000000, 0.0045229600000000 ] - [ 0.0072079700000000, 0.0007684000000000, 0.0045229600000000 ] - [ 0.0051571100000000, -0.0000299000000000, 0.0054638300000000 ] - [ 0.0051571100000000, 0.0000299000000000, 0.0054638300000000 ] - [ 0.0057745800000000, -0.0000024600000000, 0.0065332100000000 ] - [ 0.0057745800000000, 0.0000024600000000, 0.0065332100000000 ] - [ 0.0055549300000000, 0.0003331500000000, 0.0059525500000000 ] - [ 0.0055549300000000, -0.0003331500000000, 0.0059525500000000 ] - [ 0.0056312700000000, -0.0001561500000000, -0.0062486200000000 ] - [ 0.0056312700000000, 0.0001561500000000, -0.0062486200000000 ] - [ 0.0053219500000000, 0.0000227100000000, -0.0056852700000000 ] - [ 0.0053219500000000, -0.0000227100000000, -0.0056852700000000 ] - [ 0.0049372600000000, -0.0000108000000000, -0.0048856400000000 ] - [ 0.0049372600000000, 0.0000108000000000, -0.0048856400000000 ] - [ 0.0052368300000000, -0.0000889400000000, -0.0054204000000000 ] - [ 0.0052368300000000, 0.0000889400000000, -0.0054204000000000 ] - [ -0.0050065200000000, 0.0000000000000000, 0.0056336400000000 ] - [ -0.0051171100000000, 0.0000640900000000, 0.0055336300000000 ] - [ -0.0052405400000000, 0.0000000000000000, 0.0055500900000000 ] - [ -0.0051171100000000, -0.0000640900000000, 0.0055336300000000 ] - [ -0.0073938100000000, 0.0000000000000000, 0.0078864400000000 ] - [ -0.0052797100000000, -0.0000912400000000, 0.0055459500000000 ] - [ -0.0052092700000000, 0.0000000000000000, 0.0056386900000000 ] - [ -0.0052797100000000, 0.0000912400000000, 0.0055459500000000 ] - [ -0.0151674600000000, 0.0000000000000000, -0.1013272900000000 ] - [ -0.0036590200000000, 0.0008048500000000, -0.0089646700000000 ] - [ -0.0035929300000000, 0.0000000000000000, -0.0083952200000000 ] - [ -0.0036590200000000, -0.0008048500000000, -0.0089646700000000 ] - [ -0.0032973700000000, 0.0000000000000000, -0.0078216700000000 ] - [ -0.0033653900000000, 0.0002465800000000, -0.0071914900000000 ] - [ -0.0033720700000000, 0.0000000000000000, -0.0079133600000000 ] - [ -0.0033653900000000, -0.0002465800000000, -0.0071914900000000 ] - [ -0.0032623800000000, 0.0000000000000000, 0.0077972200000000 ] - [ -0.0032143400000000, 0.0001161200000000, 0.0079428500000000 ] - [ -0.0033131200000000, 0.0000000000000000, 0.0079699600000000 ] - [ -0.0032143400000000, -0.0001161200000000, 0.0079428500000000 ] - [ -0.0031313300000000, 0.0000000000000000, 0.0082873200000000 ] - [ -0.0032517100000000, -0.0000952100000000, 0.0081048700000000 ] - [ -0.0032911200000000, 0.0000000000000000, 0.0080191100000000 ] - [ -0.0032517100000000, 0.0000952100000000, 0.0081048700000000 ] - [ 0.0034200000000000, -0.0000161800000000, -0.0079702800000000 ] - [ 0.0034200000000000, 0.0000161800000000, -0.0079702800000000 ] - [ 0.0033678500000000, 0.0000048600000000, -0.0079902200000000 ] - [ 0.0033678500000000, -0.0000048600000000, -0.0079902200000000 ] - [ 0.0034820700000000, 0.0001032900000000, -0.0079760800000000 ] - [ 0.0034820700000000, -0.0001032900000000, -0.0079760800000000 ] - [ 0.0034180700000000, -0.0000516600000000, -0.0079779500000000 ] - [ 0.0034180700000000, 0.0000516600000000, -0.0079779500000000 ] - [ 0.0060843800000000, -0.0051581900000000, 0.0166090300000000 ] - [ 0.0060843800000000, 0.0051581900000000, 0.0166090300000000 ] - [ 0.0032524200000000, 0.0000701300000000, 0.0079575400000000 ] - [ 0.0032524200000000, -0.0000701300000000, 0.0079575400000000 ] - [ 0.0024605400000000, 0.0024753400000000, 0.0106471100000000 ] - [ 0.0024605400000000, -0.0024753400000000, 0.0106471100000000 ] - [ 0.0032682100000000, -0.0001719200000000, 0.0079223400000000 ] - [ 0.0032682100000000, 0.0001719200000000, 0.0079223400000000 ] - [ -0.0042168800000000, 0.0000000000000000, 0.0197941000000000 ] - [ -0.0016414800000000, -0.0003677500000000, -0.0059587600000000 ] - [ -0.0018789400000000, 0.0000000000000000, -0.0059720700000000 ] - [ -0.0016414800000000, 0.0003677500000000, -0.0059587600000000 ] - [ -0.0016636700000000, 0.0000000000000000, -0.0041401100000000 ] - [ -0.0021832400000000, 0.0000836300000000, -0.0061836800000000 ] - [ -0.0018801000000000, 0.0000000000000000, -0.0060961400000000 ] - [ -0.0021832400000000, -0.0000836300000000, -0.0061836800000000 ] - [ 0.0018912400000000, -0.0000110900000000, -0.0059236900000000 ] - [ 0.0018912400000000, 0.0000110900000000, -0.0059236900000000 ] - [ 0.0019124900000000, -0.0000117200000000, -0.0059528300000000 ] - [ 0.0019124900000000, 0.0000117200000000, -0.0059528300000000 ] - [ 0.0019486100000000, -0.0000025200000000, -0.0059925500000000 ] - [ 0.0019486100000000, 0.0000025200000000, -0.0059925500000000 ] - [ 0.0019242000000000, -0.0000086700000000, -0.0059939400000000 ] - [ 0.0019242000000000, 0.0000086700000000, -0.0059939400000000 ] - [ 0.0051834100000000, -0.0050739800000000, 0.0053866700000000 ] - [ 0.0051834100000000, 0.0050739800000000, 0.0053866700000000 ] - [ 0.0018646700000000, -0.0000565500000000, 0.0060031200000000 ] - [ 0.0018646700000000, 0.0000565500000000, 0.0060031200000000 ] - [ 0.0018904100000000, 0.0000826800000000, 0.0057517400000000 ] - [ 0.0018904100000000, -0.0000826800000000, 0.0057517400000000 ] - [ 0.0019153800000000, 0.0000492000000000, 0.0059492000000000 ] - [ 0.0019153800000000, -0.0000492000000000, 0.0059492000000000 ] - [ -0.0019442400000000, 0.0000000000000000, 0.0059218300000000 ] - [ -0.0019523500000000, -0.0000014500000000, 0.0059426500000000 ] - [ -0.0019359300000000, 0.0000000000000000, 0.0059661900000000 ] - [ -0.0019523500000000, 0.0000014500000000, 0.0059426500000000 ] - [ -0.0018539300000000, 0.0000000000000000, 0.0060992100000000 ] - [ -0.0019422900000000, 0.0000175600000000, 0.0060456700000000 ] - [ -0.0019375600000000, 0.0000000000000000, 0.0060196700000000 ] - [ -0.0019422900000000, -0.0000175600000000, 0.0060456700000000 ] - [ -0.0138363100000000, 0.0000000000000000, 0.0029224400000000 ] - [ -0.0020192000000000, 0.0001615000000000, -0.0073607100000000 ] - [ -0.0023748500000000, 0.0000000000000000, -0.0086356800000000 ] - [ -0.0020192000000000, -0.0001615000000000, -0.0073607100000000 ] - [ -0.0035620400000000, 0.0000000000000000, -0.0102601600000000 ] - [ -0.0031664800000000, -0.0012858200000000, -0.0097238100000000 ] - [ -0.0023604600000000, 0.0000000000000000, -0.0088289900000000 ] - [ -0.0031664800000000, 0.0012858200000000, -0.0097238100000000 ] - [ 0.0030828800000000, 0.0011677000000000, 0.0074748800000000 ] - [ 0.0030828800000000, -0.0011677000000000, 0.0074748800000000 ] - [ 0.0024857400000000, -0.0000498400000000, 0.0086095700000000 ] - [ 0.0024857400000000, 0.0000498400000000, 0.0086095700000000 ] - [ 0.0083408900000000, 0.0080820400000000, 0.0198379000000000 ] - [ 0.0083408900000000, -0.0080820400000000, 0.0198379000000000 ] - [ 0.0030594400000000, 0.0003928500000000, 0.0098613800000000 ] - [ 0.0030594400000000, -0.0003928500000000, 0.0098613800000000 ] - [ 0.0018904200000000, -0.0000472500000000, -0.0091099100000000 ] - [ 0.0018904200000000, 0.0000472500000000, -0.0091099100000000 ] - [ 0.0023815100000000, -0.0000837100000000, -0.0087808100000000 ] - [ 0.0023815100000000, 0.0000837100000000, -0.0087808100000000 ] - [ 0.0023484300000000, -0.0005837400000000, -0.0093101900000000 ] - [ 0.0023484300000000, 0.0005837400000000, -0.0093101900000000 ] - [ 0.0022166400000000, 0.0000781900000000, -0.0090210400000000 ] - [ 0.0022166400000000, -0.0000781900000000, -0.0090210400000000 ] - [ -0.0018647000000000, 0.0000000000000000, 0.0096425600000000 ] - [ -0.0023980100000000, 0.0000482100000000, 0.0090113200000000 ] - [ -0.0024168500000000, 0.0000000000000000, 0.0088932000000000 ] - [ -0.0023980100000000, -0.0000482100000000, 0.0090113200000000 ] - [ -0.0037571400000000, 0.0000000000000000, 0.0077908700000000 ] - [ -0.0031249100000000, -0.0000520800000000, 0.0082502200000000 ] - [ -0.0025132900000000, 0.0000000000000000, 0.0088115600000000 ] - [ -0.0031249100000000, 0.0000520800000000, 0.0082502200000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0018738800000000, 0.0000000000000000, -0.0109073200000000 ] - [ -0.0051212300000000, -0.0001981400000000, -0.0055941100000000 ] - [ -0.0052287100000000, 0.0000000000000000, -0.0056239100000000 ] - [ -0.0051212300000000, 0.0001981400000000, -0.0055941100000000 ] - [ -0.0085033200000000, 0.0000000000000000, -0.0095086100000000 ] - [ -0.0066567900000000, 0.0024462400000000, -0.0075134700000000 ] - [ -0.0051305500000000, 0.0000000000000000, -0.0054377700000000 ] - [ -0.0066567900000000, -0.0024462400000000, -0.0075134700000000 ] - [ 0.0032891300000000, 0.0007608100000000, 0.0066588600000000 ] - [ 0.0032891300000000, -0.0007608100000000, 0.0066588600000000 ] - [ 0.0053454400000000, 0.0000303200000000, 0.0057172600000000 ] - [ 0.0053454400000000, -0.0000303200000000, 0.0057172600000000 ] - [ 0.0047298000000000, 0.0000103400000000, 0.0046447300000000 ] - [ 0.0047298000000000, -0.0000103400000000, 0.0046447300000000 ] - [ 0.0049714800000000, -0.0003304600000000, 0.0052236200000000 ] - [ 0.0049714800000000, 0.0003304600000000, 0.0052236200000000 ] - [ 0.0048721800000000, 0.0001583100000000, -0.0049303100000000 ] - [ 0.0048721800000000, -0.0001583100000000, -0.0049303100000000 ] - [ 0.0051883700000000, -0.0000227800000000, -0.0054967100000000 ] - [ 0.0051883700000000, 0.0000227800000000, -0.0054967100000000 ] - [ 0.0055599200000000, 0.0000131800000000, -0.0063010000000000 ] - [ 0.0055599200000000, -0.0000131800000000, -0.0063010000000000 ] - [ 0.0052908100000000, 0.0000895800000000, -0.0057514500000000 ] - [ 0.0052908100000000, -0.0000895800000000, -0.0057514500000000 ] - [ -0.0055001400000000, 0.0000000000000000, 0.0055429200000000 ] - [ -0.0053992000000000, -0.0000655800000000, 0.0056504200000000 ] - [ -0.0052972200000000, 0.0000000000000000, 0.0056207200000000 ] - [ -0.0053992000000000, 0.0000655800000000, 0.0056504200000000 ] - [ -0.0031779600000000, 0.0000000000000000, 0.0032768400000000 ] - [ -0.0052227500000000, 0.0000955100000000, 0.0056411500000000 ] - [ -0.0052715600000000, 0.0000000000000000, 0.0055526900000000 ] - [ -0.0052227500000000, -0.0000955100000000, 0.0056411500000000 ] - [ 0.0084064500000000, 0.0000000000000000, 0.0837581000000000 ] - [ -0.0030116000000000, -0.0008231100000000, -0.0070227700000000 ] - [ -0.0030794400000000, 0.0000000000000000, -0.0076112100000000 ] - [ -0.0030116000000000, 0.0008231100000000, -0.0070227700000000 ] - [ -0.0033775900000000, 0.0000000000000000, -0.0081780600000000 ] - [ -0.0033232500000000, -0.0002555800000000, -0.0088432500000000 ] - [ -0.0033151400000000, 0.0000000000000000, -0.0080896300000000 ] - [ -0.0033232500000000, 0.0002555800000000, -0.0088432500000000 ] - [ -0.0034096400000000, 0.0000000000000000, 0.0082374400000000 ] - [ -0.0034612400000000, -0.0001175900000000, 0.0080520800000000 ] - [ -0.0033648800000000, 0.0000000000000000, 0.0080197200000000 ] - [ -0.0034612400000000, 0.0001175900000000, 0.0080520800000000 ] - [ -0.0035447800000000, 0.0000000000000000, 0.0077088800000000 ] - [ -0.0034318100000000, 0.0000788000000000, 0.0079008600000000 ] - [ -0.0034006200000000, 0.0000000000000000, 0.0080081100000000 ] - [ -0.0034318100000000, -0.0000788000000000, 0.0079008600000000 ] - [ 0.0032637900000000, 0.0000197900000000, -0.0080259100000000 ] - [ 0.0032637900000000, -0.0000197900000000, -0.0080259100000000 ] - [ 0.0033249300000000, -0.0000177600000000, -0.0080300400000000 ] - [ 0.0033249300000000, 0.0000177600000000, -0.0080300400000000 ] - [ 0.0032136600000000, -0.0001392400000000, -0.0080317200000000 ] - [ 0.0032136600000000, 0.0001392400000000, -0.0080317200000000 ] - [ 0.0032541700000000, 0.0000595000000000, -0.0080146900000000 ] - [ 0.0032541700000000, -0.0000595000000000, -0.0080146900000000 ] - [ 0.0006323100000000, 0.0050834600000000, -0.0005238700000000 ] - [ 0.0006323100000000, -0.0050834600000000, -0.0005238700000000 ] - [ 0.0034296900000000, -0.0000795700000000, 0.0080432200000000 ] - [ 0.0034296900000000, 0.0000795700000000, 0.0080432200000000 ] - [ 0.0042402200000000, -0.0024877900000000, 0.0053176100000000 ] - [ 0.0042402200000000, 0.0024877900000000, 0.0053176100000000 ] - [ 0.0034165900000000, 0.0002047900000000, 0.0080970600000000 ] - [ 0.0034165900000000, -0.0002047900000000, 0.0080970600000000 ] - [ 0.0003514400000000, 0.0000000000000000, -0.0298163100000000 ] - [ -0.0021921200000000, 0.0003704200000000, -0.0060004100000000 ] - [ -0.0019446500000000, 0.0000000000000000, -0.0059876700000000 ] - [ -0.0021921200000000, -0.0003704200000000, -0.0060004100000000 ] - [ -0.0021629400000000, 0.0000000000000000, -0.0078411900000000 ] - [ -0.0016463700000000, -0.0000783600000000, -0.0057665100000000 ] - [ -0.0019284000000000, 0.0000000000000000, -0.0058584600000000 ] - [ -0.0016463700000000, 0.0000783600000000, -0.0057665100000000 ] - [ 0.0019422200000000, 0.0000046400000000, -0.0060344600000000 ] - [ 0.0019422200000000, -0.0000046400000000, -0.0060344600000000 ] - [ 0.0019217300000000, 0.0000098300000000, -0.0060057100000000 ] - [ 0.0019217300000000, -0.0000098300000000, -0.0060057100000000 ] - [ 0.0018938500000000, -0.0000032100000000, -0.0059640600000000 ] - [ 0.0018938500000000, 0.0000032100000000, -0.0059640600000000 ] - [ 0.0019217600000000, 0.0000071700000000, -0.0059577100000000 ] - [ 0.0019217600000000, -0.0000071700000000, -0.0059577100000000 ] - [ -0.0012855200000000, 0.0049951800000000, 0.0065009600000000 ] - [ -0.0012855200000000, -0.0049951800000000, 0.0065009600000000 ] - [ 0.0019594800000000, 0.0000570000000000, 0.0059560300000000 ] - [ 0.0019594800000000, -0.0000570000000000, 0.0059560300000000 ] - [ 0.0019356200000000, -0.0000820200000000, 0.0062054900000000 ] - [ 0.0019356200000000, 0.0000820200000000, 0.0062054900000000 ] - [ 0.0019149500000000, -0.0000478100000000, 0.0060045700000000 ] - [ 0.0019149500000000, 0.0000478100000000, 0.0060045700000000 ] - [ -0.0018784500000000, 0.0000000000000000, 0.0060319400000000 ] - [ -0.0018982400000000, -0.0000028500000000, 0.0060091900000000 ] - [ -0.0019106000000000, 0.0000000000000000, 0.0059873500000000 ] - [ -0.0018982400000000, 0.0000028500000000, 0.0060091900000000 ] - [ -0.0019856900000000, 0.0000000000000000, 0.0058463400000000 ] - [ -0.0018993500000000, -0.0000139100000000, 0.0059147700000000 ] - [ -0.0018873400000000, 0.0000000000000000, 0.0059417400000000 ] - [ -0.0018993500000000, 0.0000139100000000, 0.0059147700000000 ] - [ 0.0093774700000000, 0.0000000000000000, -0.0207635500000000 ] - [ -0.0028301900000000, -0.0001663900000000, -0.0103380600000000 ] - [ -0.0024868500000000, 0.0000000000000000, -0.0090791200000000 ] - [ -0.0028301900000000, 0.0001663900000000, -0.0103380600000000 ] - [ -0.0012679000000000, 0.0000000000000000, -0.0074136100000000 ] - [ -0.0016769200000000, 0.0012902600000000, -0.0079642900000000 ] - [ -0.0024842100000000, 0.0000000000000000, -0.0088705700000000 ] - [ -0.0016769200000000, -0.0012902600000000, -0.0079642900000000 ] - [ 0.0017576400000000, -0.0011862200000000, 0.0102442900000000 ] - [ 0.0017576400000000, 0.0011862200000000, 0.0102442900000000 ] - [ 0.0023604600000000, 0.0000505300000000, 0.0090904300000000 ] - [ 0.0023604600000000, -0.0000505300000000, 0.0090904300000000 ] - [ -0.0036888200000000, -0.0084036500000000, -0.0022684700000000 ] - [ -0.0036888200000000, 0.0084036500000000, -0.0022684700000000 ] - [ 0.0017907200000000, -0.0003850800000000, 0.0078192200000000 ] - [ 0.0017907200000000, 0.0003850800000000, 0.0078192200000000 ] - [ 0.0029565200000000, 0.0000504900000000, -0.0085847900000000 ] - [ 0.0029565200000000, -0.0000504900000000, -0.0085847900000000 ] - [ 0.0024658900000000, 0.0000800900000000, -0.0089145400000000 ] - [ 0.0024658900000000, -0.0000800900000000, -0.0089145400000000 ] - [ 0.0024982300000000, 0.0005724200000000, -0.0083867400000000 ] - [ 0.0024982300000000, -0.0005724200000000, -0.0083867400000000 ] - [ 0.0026352200000000, -0.0000733600000000, -0.0086718500000000 ] - [ 0.0026352200000000, 0.0000733600000000, -0.0086718500000000 ] - [ -0.0029926400000000, 0.0000000000000000, 0.0080505100000000 ] - [ -0.0024568400000000, -0.0000387200000000, 0.0086884500000000 ] - [ -0.0024296800000000, 0.0000000000000000, 0.0088053500000000 ] - [ -0.0024568400000000, 0.0000387200000000, 0.0086884500000000 ] - [ -0.0010771600000000, 0.0000000000000000, 0.0099141500000000 ] - [ -0.0017202500000000, 0.0000477500000000, 0.0094584400000000 ] - [ -0.0023319600000000, 0.0000000000000000, 0.0088805800000000 ] - [ -0.0017202500000000, -0.0000477500000000, 0.0094584400000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0311763900000000, 0.0000000000000000, -0.0175614200000000 ] - [ -0.0049428300000000, 0.0002945000000000, -0.0054699600000000 ] - [ -0.0051214100000000, 0.0000000000000000, -0.0055671200000000 ] - [ -0.0049428300000000, -0.0002945000000000, -0.0054699600000000 ] - [ -0.0049735100000000, 0.0000000000000000, -0.0053846700000000 ] - [ -0.0050641900000000, 0.0001079300000000, -0.0055841500000000 ] - [ -0.0050803700000000, 0.0000000000000000, -0.0055352400000000 ] - [ -0.0050641900000000, -0.0001079300000000, -0.0055841500000000 ] - [ 0.0052874300000000, -0.0002351500000000, 0.0055842000000000 ] - [ 0.0052874300000000, 0.0002351500000000, 0.0055842000000000 ] - [ 0.0051313900000000, 0.0000056700000000, 0.0055858800000000 ] - [ 0.0051313900000000, -0.0000056700000000, 0.0055858800000000 ] - [ 0.0052195100000000, -0.0003551100000000, 0.0055611200000000 ] - [ 0.0052195100000000, 0.0003551100000000, 0.0055611200000000 ] - [ 0.0049313400000000, -0.0003398300000000, 0.0053308800000000 ] - [ 0.0049313400000000, 0.0003398300000000, 0.0053308800000000 ] - [ 0.0050153600000000, -0.0003874100000000, -0.0058631600000000 ] - [ 0.0050153600000000, 0.0003874100000000, -0.0058631600000000 ] - [ 0.0052916700000000, 0.0000680700000000, -0.0056469900000000 ] - [ 0.0052916700000000, -0.0000680700000000, -0.0056469900000000 ] - [ 0.0051336300000000, -0.0002974600000000, -0.0051743500000000 ] - [ 0.0051336300000000, 0.0002974600000000, -0.0051743500000000 ] - [ 0.0052655600000000, 0.0000564500000000, -0.0056383500000000 ] - [ 0.0052655600000000, -0.0000564500000000, -0.0056383500000000 ] - [ -0.0054614800000000, 0.0000000000000000, 0.0055247400000000 ] - [ -0.0054564900000000, 0.0000626800000000, 0.0056882100000000 ] - [ -0.0053172600000000, 0.0000000000000000, 0.0056581100000000 ] - [ -0.0054564900000000, -0.0000626800000000, 0.0056882100000000 ] - [ -0.0052308200000000, 0.0000000000000000, 0.0055746300000000 ] - [ -0.0052838900000000, 0.0000635000000000, 0.0056337800000000 ] - [ -0.0052728200000000, 0.0000000000000000, 0.0056032400000000 ] - [ -0.0052838900000000, -0.0000635000000000, 0.0056337800000000 ] - [ -0.0041805700000000, 0.0000000000000000, -0.0101584700000000 ] - [ -0.0032899200000000, -0.0001592200000000, -0.0076666000000000 ] - [ -0.0032918300000000, 0.0000000000000000, -0.0079124100000000 ] - [ -0.0032899200000000, 0.0001592200000000, -0.0076666000000000 ] - [ -0.0032111900000000, 0.0000000000000000, -0.0077001400000000 ] - [ -0.0030828800000000, 0.0000274600000000, -0.0082251000000000 ] - [ -0.0032516900000000, 0.0000000000000000, -0.0079167400000000 ] - [ -0.0030828800000000, -0.0000274600000000, -0.0082251000000000 ] - [ -0.0037017200000000, 0.0000000000000000, 0.0078884800000000 ] - [ -0.0033751800000000, 0.0000983100000000, 0.0079796100000000 ] - [ -0.0033329800000000, 0.0000000000000000, 0.0079700500000000 ] - [ -0.0033751800000000, -0.0000983100000000, 0.0079796100000000 ] - [ -0.0033265700000000, 0.0000000000000000, 0.0079929800000000 ] - [ -0.0033575600000000, 0.0000895900000000, 0.0079763600000000 ] - [ -0.0033335500000000, 0.0000000000000000, 0.0079688500000000 ] - [ -0.0033575600000000, -0.0000895900000000, 0.0079763600000000 ] - [ 0.0029618800000000, -0.0002821600000000, -0.0079413400000000 ] - [ 0.0029618800000000, 0.0002821600000000, -0.0079413400000000 ] - [ 0.0032833400000000, 0.0000540900000000, -0.0079446900000000 ] - [ 0.0032833400000000, -0.0000540900000000, -0.0079446900000000 ] - [ 0.0032852300000000, -0.0000426000000000, -0.0079852500000000 ] - [ 0.0032852300000000, 0.0000426000000000, -0.0079852500000000 ] - [ 0.0032838500000000, 0.0000697400000000, -0.0079562500000000 ] - [ 0.0032838500000000, -0.0000697400000000, -0.0079562500000000 ] - [ 0.0080466400000000, -0.0074540600000000, 0.0112275200000000 ] - [ 0.0080466400000000, 0.0074540600000000, 0.0112275200000000 ] - [ 0.0033877900000000, -0.0002161800000000, 0.0078974100000000 ] - [ 0.0033877900000000, 0.0002161800000000, 0.0078974100000000 ] - [ 0.0033810600000000, -0.0001682500000000, 0.0079307200000000 ] - [ 0.0033810600000000, 0.0001682500000000, 0.0079307200000000 ] - [ 0.0033130400000000, 0.0000152500000000, 0.0079417700000000 ] - [ 0.0033130400000000, -0.0000152500000000, 0.0079417700000000 ] - [ -0.0492426100000000, 0.0000000000000000, 0.0060253900000000 ] - [ -0.0020637300000000, 0.0003889300000000, -0.0061825200000000 ] - [ -0.0019459600000000, 0.0000000000000000, -0.0060318600000000 ] - [ -0.0020637300000000, -0.0003889300000000, -0.0061825200000000 ] - [ -0.0018839600000000, 0.0000000000000000, -0.0060512400000000 ] - [ -0.0018798700000000, -0.0000202300000000, -0.0059547800000000 ] - [ -0.0018879100000000, 0.0000000000000000, -0.0059921200000000 ] - [ -0.0018798700000000, 0.0000202300000000, -0.0059547800000000 ] - [ 0.0020163900000000, -0.0000460900000000, -0.0060008600000000 ] - [ 0.0020163900000000, 0.0000460900000000, -0.0060008600000000 ] - [ 0.0019030500000000, -0.0000101400000000, -0.0060105800000000 ] - [ 0.0019030500000000, 0.0000101400000000, -0.0060105800000000 ] - [ 0.0020094400000000, 0.0000349800000000, -0.0060612200000000 ] - [ 0.0020094400000000, -0.0000349800000000, -0.0060612200000000 ] - [ 0.0018919000000000, -0.0000123700000000, -0.0060045000000000 ] - [ 0.0018919000000000, 0.0000123700000000, -0.0060045000000000 ] - [ 0.0033595100000000, -0.0018808600000000, 0.0037023300000000 ] - [ 0.0033595100000000, 0.0018808600000000, 0.0037023300000000 ] - [ 0.0019412400000000, 0.0000548100000000, 0.0059874000000000 ] - [ 0.0019412400000000, -0.0000548100000000, 0.0059874000000000 ] - [ 0.0019459000000000, 0.0000072100000000, 0.0059684800000000 ] - [ 0.0019459000000000, -0.0000072100000000, 0.0059684800000000 ] - [ 0.0019136400000000, -0.0000251900000000, 0.0060061400000000 ] - [ 0.0019136400000000, 0.0000251900000000, 0.0060061400000000 ] - [ -0.0018238700000000, 0.0000000000000000, 0.0060111000000000 ] - [ -0.0018426100000000, -0.0000601800000000, 0.0059761000000000 ] - [ -0.0018701600000000, 0.0000000000000000, 0.0059934100000000 ] - [ -0.0018426100000000, 0.0000601800000000, 0.0059761000000000 ] - [ -0.0018998600000000, 0.0000000000000000, 0.0060389300000000 ] - [ -0.0019005000000000, -0.0000161700000000, 0.0060151300000000 ] - [ -0.0018828600000000, 0.0000000000000000, 0.0059971400000000 ] - [ -0.0019005000000000, 0.0000161700000000, 0.0060151300000000 ] - [ -0.0027789000000000, 0.0000000000000000, -0.0093185900000000 ] - [ -0.0022265400000000, -0.0000621700000000, -0.0090445800000000 ] - [ -0.0023492000000000, 0.0000000000000000, -0.0088774100000000 ] - [ -0.0022265400000000, 0.0000621700000000, -0.0090445800000000 ] - [ -0.0009951700000000, 0.0000000000000000, -0.0070174400000000 ] - [ -0.0016604500000000, 0.0000013900000000, -0.0083120600000000 ] - [ -0.0024125600000000, 0.0000000000000000, -0.0089282400000000 ] - [ -0.0016604500000000, -0.0000013900000000, -0.0083120600000000 ] - [ -0.0007892100000000, 0.0034881700000000, 0.0069410900000000 ] - [ -0.0007892100000000, -0.0034881700000000, 0.0069410900000000 ] - [ 0.0022053600000000, -0.0000688000000000, 0.0088537500000000 ] - [ 0.0022053600000000, 0.0000688000000000, 0.0088537500000000 ] - [ 0.0022933900000000, 0.0003447600000000, 0.0092113500000000 ] - [ 0.0022933900000000, -0.0003447600000000, 0.0092113500000000 ] - [ 0.0022042800000000, 0.0000343900000000, 0.0087235100000000 ] - [ 0.0022042800000000, -0.0000343900000000, 0.0087235100000000 ] - [ 0.0027544700000000, 0.0001128700000000, -0.0088108300000000 ] - [ 0.0027544700000000, -0.0001128700000000, -0.0088108300000000 ] - [ 0.0025773500000000, -0.0000589100000000, -0.0088592500000000 ] - [ 0.0025773500000000, 0.0000589100000000, -0.0088592500000000 ] - [ 0.0025064300000000, 0.0001070900000000, -0.0088798900000000 ] - [ 0.0025064300000000, -0.0001070900000000, -0.0088798900000000 ] - [ 0.0026459100000000, -0.0000852200000000, -0.0087577200000000 ] - [ 0.0026459100000000, 0.0000852200000000, -0.0087577200000000 ] - [ 0.0008328600000000, 0.0000000000000000, 0.0109523800000000 ] - [ -0.0024847600000000, -0.0003683900000000, 0.0087263400000000 ] - [ -0.0024897000000000, 0.0000000000000000, 0.0088160900000000 ] - [ -0.0024847600000000, 0.0003683900000000, 0.0087263400000000 ] - [ -0.0024193100000000, 0.0000000000000000, 0.0086268000000000 ] - [ -0.0024537100000000, -0.0002463700000000, 0.0087762700000000 ] - [ -0.0025047500000000, 0.0000000000000000, 0.0088100000000000 ] - [ -0.0024537100000000, 0.0002463700000000, 0.0087762700000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0437412900000000, 0.0000000000000000, 0.0073226100000000 ] - [ -0.0055353600000000, -0.0002827800000000, -0.0056955100000000 ] - [ -0.0053520800000000, 0.0000000000000000, -0.0055962600000000 ] - [ -0.0055353600000000, 0.0002827800000000, -0.0056955100000000 ] - [ -0.0054929400000000, 0.0000000000000000, -0.0057744500000000 ] - [ -0.0054229200000000, -0.0001140200000000, -0.0055806000000000 ] - [ -0.0053611900000000, 0.0000000000000000, -0.0056437100000000 ] - [ -0.0054229200000000, 0.0001140200000000, -0.0055806000000000 ] - [ 0.0052019300000000, 0.0002267100000000, 0.0055765700000000 ] - [ 0.0052019300000000, -0.0002267100000000, 0.0055765700000000 ] - [ 0.0053458800000000, -0.0000063900000000, 0.0055835500000000 ] - [ 0.0053458800000000, 0.0000063900000000, 0.0055835500000000 ] - [ 0.0052619000000000, 0.0003544500000000, 0.0056044400000000 ] - [ 0.0052619000000000, -0.0003544500000000, 0.0056044400000000 ] - [ 0.0055678900000000, 0.0003431000000000, 0.0058334000000000 ] - [ 0.0055678900000000, -0.0003431000000000, 0.0058334000000000 ] - [ 0.0054520000000000, 0.0003769300000000, -0.0053169600000000 ] - [ 0.0054520000000000, -0.0003769300000000, -0.0053169600000000 ] - [ 0.0051998400000000, -0.0000688700000000, -0.0055142200000000 ] - [ 0.0051998400000000, 0.0000688700000000, -0.0055142200000000 ] - [ 0.0053607800000000, 0.0002974800000000, -0.0059784400000000 ] - [ 0.0053607800000000, -0.0002974800000000, -0.0059784400000000 ] - [ 0.0052283200000000, -0.0000534200000000, -0.0055214300000000 ] - [ 0.0052283200000000, 0.0000534200000000, -0.0055214300000000 ] - [ -0.0050030600000000, 0.0000000000000000, 0.0056317200000000 ] - [ -0.0050294200000000, -0.0000589600000000, 0.0054726900000000 ] - [ -0.0051803900000000, 0.0000000000000000, 0.0054970500000000 ] - [ -0.0050294200000000, 0.0000589600000000, 0.0054726900000000 ] - [ -0.0052820500000000, 0.0000000000000000, 0.0055778700000000 ] - [ -0.0051971600000000, -0.0000630400000000, 0.0055262700000000 ] - [ -0.0051913000000000, 0.0000000000000000, 0.0055592100000000 ] - [ -0.0051971600000000, 0.0000630400000000, 0.0055262700000000 ] - [ -0.0024834500000000, 0.0000000000000000, -0.0057416200000000 ] - [ -0.0033846600000000, 0.0001591100000000, -0.0083821100000000 ] - [ -0.0033791200000000, 0.0000000000000000, -0.0081349800000000 ] - [ -0.0033846600000000, -0.0001591100000000, -0.0083821100000000 ] - [ -0.0034535200000000, 0.0000000000000000, -0.0083475600000000 ] - [ -0.0035911600000000, -0.0000403800000000, -0.0078315700000000 ] - [ -0.0034223800000000, 0.0000000000000000, -0.0081146000000000 ] - [ -0.0035911600000000, 0.0000403800000000, -0.0078315700000000 ] - [ -0.0029805800000000, 0.0000000000000000, 0.0081696500000000 ] - [ -0.0032996200000000, -0.0000947800000000, 0.0080791500000000 ] - [ -0.0033403900000000, 0.0000000000000000, 0.0080721800000000 ] - [ -0.0032996200000000, 0.0000947800000000, 0.0080791500000000 ] - [ -0.0033500500000000, 0.0000000000000000, 0.0080651200000000 ] - [ -0.0033196000000000, -0.0000813000000000, 0.0080777500000000 ] - [ -0.0033354300000000, 0.0000000000000000, 0.0080823200000000 ] - [ -0.0033196000000000, 0.0000813000000000, 0.0080777500000000 ] - [ 0.0037206800000000, 0.0002725800000000, -0.0081197300000000 ] - [ 0.0037206800000000, -0.0002725800000000, -0.0081197300000000 ] - [ 0.0034092300000000, -0.0000522800000000, -0.0081025800000000 ] - [ 0.0034092300000000, 0.0000522800000000, -0.0081025800000000 ] - [ 0.0034080100000000, 0.0000453500000000, -0.0080746700000000 ] - [ 0.0034080100000000, -0.0000453500000000, -0.0080746700000000 ] - [ 0.0034014100000000, -0.0000560100000000, -0.0080965300000000 ] - [ 0.0034014100000000, 0.0000560100000000, -0.0080965300000000 ] - [ -0.0012704200000000, 0.0072093700000000, 0.0049219400000000 ] - [ -0.0012704200000000, -0.0072093700000000, 0.0049219400000000 ] - [ 0.0033039800000000, 0.0002234100000000, 0.0081462200000000 ] - [ 0.0033039800000000, -0.0002234100000000, 0.0081462200000000 ] - [ 0.0033081700000000, 0.0001759900000000, 0.0081181500000000 ] - [ 0.0033081700000000, -0.0001759900000000, 0.0081181500000000 ] - [ 0.0033667700000000, 0.0000040900000000, 0.0081020400000000 ] - [ 0.0033667700000000, -0.0000040900000000, 0.0081020400000000 ] - [ 0.0464055500000000, 0.0000000000000000, -0.0191981300000000 ] - [ -0.0017453300000000, -0.0003908300000000, -0.0058114400000000 ] - [ -0.0018582000000000, 0.0000000000000000, -0.0059584600000000 ] - [ -0.0017453300000000, 0.0003908300000000, -0.0058114400000000 ] - [ -0.0019230000000000, 0.0000000000000000, -0.0059408400000000 ] - [ -0.0019271300000000, 0.0000209200000000, -0.0060444300000000 ] - [ -0.0019079200000000, 0.0000000000000000, -0.0060021200000000 ] - [ -0.0019271300000000, -0.0000209200000000, -0.0060444300000000 ] - [ 0.0018461200000000, 0.0000337200000000, -0.0059861600000000 ] - [ 0.0018461200000000, -0.0000337200000000, -0.0059861600000000 ] - [ 0.0019448900000000, 0.0000093200000000, -0.0059879500000000 ] - [ 0.0019448900000000, -0.0000093200000000, -0.0059879500000000 ] - [ 0.0018340800000000, -0.0000288200000000, -0.0059338900000000 ] - [ 0.0018340800000000, 0.0000288200000000, -0.0059338900000000 ] - [ 0.0019427800000000, 0.0000094700000000, -0.0059840800000000 ] - [ 0.0019427800000000, -0.0000094700000000, -0.0059840800000000 ] - [ 0.0004682000000000, 0.0018260600000000, 0.0082454900000000 ] - [ 0.0004682000000000, -0.0018260600000000, 0.0082454900000000 ] - [ 0.0018875300000000, -0.0000545500000000, 0.0060052000000000 ] - [ 0.0018875300000000, 0.0000545500000000, 0.0060052000000000 ] - [ 0.0018753500000000, -0.0000069200000000, 0.0060251200000000 ] - [ 0.0018753500000000, 0.0000069200000000, 0.0060251200000000 ] - [ 0.0019119300000000, 0.0000259900000000, 0.0059930900000000 ] - [ 0.0019119300000000, -0.0000259900000000, 0.0059930900000000 ] - [ -0.0020048900000000, 0.0000000000000000, 0.0059798200000000 ] - [ -0.0019868800000000, 0.0000571600000000, 0.0060184200000000 ] - [ -0.0019523100000000, 0.0000000000000000, 0.0060014500000000 ] - [ -0.0019868800000000, -0.0000571600000000, 0.0060184200000000 ] - [ -0.0019124500000000, 0.0000000000000000, 0.0059627200000000 ] - [ -0.0019300100000000, 0.0000155200000000, 0.0059860000000000 ] - [ -0.0019418300000000, 0.0000000000000000, 0.0059928600000000 ] - [ -0.0019300100000000, -0.0000155200000000, 0.0059860000000000 ] - [ -0.0020613300000000, 0.0000000000000000, -0.0084211900000000 ] - [ -0.0026235300000000, 0.0000574300000000, -0.0086640100000000 ] - [ -0.0025071200000000, 0.0000000000000000, -0.0088382500000000 ] - [ -0.0026235300000000, -0.0000574300000000, -0.0086640100000000 ] - [ -0.0037819200000000, 0.0000000000000000, -0.0106086600000000 ] - [ -0.0031833400000000, -0.0000056800000000, -0.0094004300000000 ] - [ -0.0024336200000000, 0.0000000000000000, -0.0087790200000000 ] - [ -0.0031833400000000, 0.0000056800000000, -0.0094004300000000 ] - [ 0.0056112800000000, -0.0034795800000000, 0.0107870200000000 ] - [ 0.0056112800000000, 0.0034795800000000, 0.0107870200000000 ] - [ 0.0026550000000000, 0.0000593700000000, 0.0088534100000000 ] - [ 0.0026550000000000, -0.0000593700000000, 0.0088534100000000 ] - [ 0.0025628600000000, -0.0003584900000000, 0.0084806100000000 ] - [ 0.0025628600000000, 0.0003584900000000, 0.0084806100000000 ] - [ 0.0026593600000000, -0.0000272500000000, 0.0089816900000000 ] - [ 0.0026593600000000, 0.0000272500000000, 0.0089816900000000 ] - [ 0.0021295300000000, -0.0001028600000000, -0.0088906200000000 ] - [ 0.0021295300000000, 0.0001028600000000, -0.0088906200000000 ] - [ 0.0022920600000000, 0.0000531500000000, -0.0088475900000000 ] - [ 0.0022920600000000, -0.0000531500000000, -0.0088475900000000 ] - [ 0.0023629100000000, -0.0001156100000000, -0.0088404100000000 ] - [ 0.0023629100000000, 0.0001156100000000, -0.0088404100000000 ] - [ 0.0022279300000000, 0.0000835200000000, -0.0089511300000000 ] - [ 0.0022279300000000, -0.0000835200000000, -0.0089511300000000 ] - [ -0.0056611000000000, 0.0000000000000000, 0.0067977600000000 ] - [ -0.0023772100000000, 0.0003605500000000, 0.0089725900000000 ] - [ -0.0023641200000000, 0.0000000000000000, 0.0088903600000000 ] - [ -0.0023772100000000, -0.0003605500000000, 0.0089725900000000 ] - [ -0.0024311000000000, 0.0000000000000000, 0.0090695500000000 ] - [ -0.0024065200000000, 0.0002352100000000, 0.0089336100000000 ] - [ -0.0023520400000000, 0.0000000000000000, 0.0088917700000000 ] - [ -0.0024065200000000, -0.0002352100000000, 0.0089336100000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0051697400000000, 0.0007992200000000, -0.0056397900000000 ] - [ -0.0050320300000000, -0.0001407200000000, -0.0058055100000000 ] - [ -0.0052810600000000, -0.0001351700000000, -0.0055685500000000 ] - [ -0.0055197500000000, -0.0001458000000000, -0.0053356000000000 ] - [ -0.0052844900000000, 0.0000953200000000, -0.0055600800000000 ] - [ -0.0052558200000000, 0.0000282400000000, -0.0055201800000000 ] - [ -0.0052716700000000, -0.0002058300000000, -0.0055645100000000 ] - [ -0.0053384800000000, 0.0000291200000000, -0.0056112700000000 ] - [ 0.0054398700000000, 0.0001461800000000, 0.0053988200000000 ] - [ 0.0050929400000000, 0.0001508600000000, 0.0057333200000000 ] - [ 0.0052351600000000, -0.0001333600000000, 0.0055937600000000 ] - [ 0.0053237100000000, -0.0001280900000000, 0.0055444800000000 ] - [ 0.0054786300000000, 0.0003531900000000, 0.0059318800000000 ] - [ 0.0050910200000000, 0.0003464900000000, 0.0052063000000000 ] - [ 0.0049402900000000, -0.0008295200000000, 0.0051139200000000 ] - [ 0.0056302100000000, -0.0008314800000000, 0.0060297500000000 ] - [ 0.0052194000000000, 0.0000737000000000, -0.0055567600000000 ] - [ 0.0053147400000000, 0.0000771100000000, -0.0055774600000000 ] - [ 0.0053288300000000, -0.0000640600000000, -0.0055824000000000 ] - [ 0.0052202100000000, -0.0000635100000000, -0.0055634100000000 ] - [ 0.0053543800000000, 0.0001164600000000, -0.0057106700000000 ] - [ 0.0051969400000000, 0.0001099400000000, -0.0054330500000000 ] - [ 0.0053436400000000, -0.0000185600000000, -0.0056227300000000 ] - [ 0.0052268600000000, -0.0000176800000000, -0.0055106500000000 ] - [ -0.0052622100000000, 0.0002960000000000, 0.0055721200000000 ] - [ -0.0056656400000000, -0.0000749700000000, 0.0057251700000000 ] - [ -0.0052738600000000, -0.0001233700000000, 0.0055632900000000 ] - [ -0.0049020900000000, -0.0000754600000000, 0.0054255800000000 ] - [ -0.0052925200000000, 0.0001418200000000, 0.0055685500000000 ] - [ -0.0053735700000000, -0.0000223800000000, 0.0056444900000000 ] - [ -0.0052747000000000, -0.0001012700000000, 0.0055681100000000 ] - [ -0.0051873900000000, -0.0000198900000000, 0.0054942100000000 ] - [ -0.0033420900000000, -0.0028016300000000, -0.0079760300000000 ] - [ -0.0032957500000000, -0.0002799000000000, -0.0076841600000000 ] - [ -0.0033442800000000, -0.0002503100000000, -0.0080603200000000 ] - [ -0.0033906500000000, -0.0002833900000000, -0.0084277100000000 ] - [ -0.0033417700000000, -0.0000087500000000, -0.0080661600000000 ] - [ -0.0031908400000000, 0.0001134400000000, -0.0081474600000000 ] - [ -0.0033430300000000, -0.0001870700000000, -0.0080626900000000 ] - [ -0.0035008800000000, 0.0001122400000000, -0.0079848200000000 ] - [ -0.0033341500000000, 0.0001547600000000, 0.0080600700000000 ] - [ -0.0033454900000000, -0.0000153700000000, 0.0080704800000000 ] - [ -0.0033344600000000, -0.0000971400000000, 0.0080475400000000 ] - [ -0.0033243900000000, -0.0000159700000000, 0.0080357700000000 ] - [ -0.0033421300000000, 0.0000246100000000, 0.0080485800000000 ] - [ -0.0033883000000000, 0.0000060100000000, 0.0080596700000000 ] - [ -0.0033428200000000, -0.0000713400000000, 0.0080549300000000 ] - [ -0.0032978700000000, 0.0000128900000000, 0.0080451000000000 ] - [ 0.0034619500000000, 0.0001461200000000, -0.0080368900000000 ] - [ 0.0032184700000000, 0.0001418100000000, -0.0080665600000000 ] - [ 0.0033224400000000, -0.0000847900000000, -0.0080537400000000 ] - [ 0.0033643500000000, -0.0000850000000000, -0.0080533600000000 ] - [ 0.0033951900000000, 0.0000138200000000, -0.0080503600000000 ] - [ 0.0032999300000000, 0.0000215800000000, -0.0080503400000000 ] - [ 0.0033064300000000, -0.0000132600000000, -0.0080424300000000 ] - [ 0.0033830000000000, -0.0000177600000000, -0.0080505200000000 ] - [ -0.0045938200000000, 0.0119124800000000, 0.0032222000000000 ] - [ 0.0118106400000000, 0.0127049100000000, 0.0132915700000000 ] - [ 0.0034308600000000, -0.0005055200000000, 0.0079956000000000 ] - [ 0.0032528600000000, -0.0005013900000000, 0.0081233100000000 ] - [ 0.0033005200000000, 0.0002103800000000, 0.0081466100000000 ] - [ 0.0034020500000000, 0.0002067700000000, 0.0079824800000000 ] - [ 0.0033435400000000, -0.0001134100000000, 0.0081156900000000 ] - [ 0.0033516200000000, -0.0001175900000000, 0.0080039000000000 ] - [ -0.0026887900000000, -0.0303052500000000, -0.0064132100000000 ] - [ -0.0022789800000000, 0.0014195100000000, -0.0061891800000000 ] - [ -0.0018949900000000, 0.0002014500000000, -0.0059905900000000 ] - [ -0.0015144100000000, 0.0014146100000000, -0.0058014500000000 ] - [ -0.0018937100000000, -0.0000243300000000, -0.0059869400000000 ] - [ -0.0018727700000000, -0.0000106900000000, -0.0059486400000000 ] - [ -0.0018964000000000, 0.0000083900000000, -0.0059831400000000 ] - [ -0.0019004200000000, -0.0000148900000000, -0.0060422600000000 ] - [ 0.0019365400000000, -0.0000170500000000, -0.0059825600000000 ] - [ 0.0018783200000000, -0.0000156500000000, -0.0059819800000000 ] - [ 0.0018856300000000, 0.0000140100000000, -0.0059902300000000 ] - [ 0.0019007000000000, 0.0000077800000000, -0.0059916700000000 ] - [ 0.0018569800000000, -0.0000220800000000, -0.0060029500000000 ] - [ 0.0019327800000000, -0.0000178900000000, -0.0059737900000000 ] - [ 0.0018792400000000, 0.0000114500000000, -0.0059829200000000 ] - [ 0.0019093300000000, 0.0000169200000000, -0.0059979400000000 ] - [ 0.0000928400000000, 0.0031998400000000, 0.0096429300000000 ] - [ 0.0037951900000000, 0.0033342300000000, 0.0021791700000000 ] - [ 0.0019556300000000, 0.0001905500000000, 0.0059450700000000 ] - [ 0.0018327200000000, 0.0001969900000000, 0.0060339800000000 ] - [ 0.0019068800000000, 0.0000491000000000, 0.0060428000000000 ] - [ 0.0018879100000000, 0.0000495900000000, 0.0059286600000000 ] - [ 0.0018641000000000, 0.0000546600000000, 0.0059799400000000 ] - [ 0.0019247100000000, 0.0000568600000000, 0.0060003900000000 ] - [ -0.0018993800000000, 0.0000481700000000, 0.0059860900000000 ] - [ -0.0018348900000000, -0.0000176800000000, 0.0060032800000000 ] - [ -0.0019000300000000, 0.0000265200000000, 0.0059860900000000 ] - [ -0.0019445500000000, -0.0000098400000000, 0.0059917200000000 ] - [ -0.0018840900000000, -0.0000136300000000, 0.0059975700000000 ] - [ -0.0018675300000000, 0.0000076700000000, 0.0059892600000000 ] - [ -0.0018910400000000, 0.0000077600000000, 0.0059943500000000 ] - [ -0.0019102300000000, 0.0000027200000000, 0.0059998700000000 ] - [ -0.0024245600000000, -0.0005535600000000, -0.0088461300000000 ] - [ -0.0022774900000000, 0.0002407600000000, -0.0092378400000000 ] - [ -0.0024265900000000, 0.0002561700000000, -0.0088481900000000 ] - [ -0.0025825400000000, 0.0002429200000000, -0.0084504100000000 ] - [ -0.0024229000000000, -0.0035474600000000, -0.0088415500000000 ] - [ -0.0022818100000000, 0.0009167900000000, -0.0076930700000000 ] - [ -0.0024275900000000, 0.0008124400000000, -0.0088481100000000 ] - [ -0.0025965000000000, 0.0009327100000000, -0.0100207700000000 ] - [ 0.0045316000000000, 0.0001367200000000, 0.0066183000000000 ] - [ 0.0003174200000000, 0.0002251300000000, 0.0111760200000000 ] - [ 0.0023567500000000, 0.0002272900000000, 0.0090736800000000 ] - [ 0.0025049300000000, 0.0002367300000000, 0.0086239200000000 ] - [ 0.0024421400000000, -0.0002965100000000, 0.0093279500000000 ] - [ 0.0024096900000000, -0.0002916900000000, 0.0083728000000000 ] - [ 0.0022633800000000, 0.0003774700000000, 0.0086488500000000 ] - [ 0.0025994100000000, 0.0003716600000000, 0.0090507300000000 ] - [ 0.0020593700000000, -0.0002187600000000, -0.0089786700000000 ] - [ 0.0028013800000000, -0.0002255200000000, -0.0087068100000000 ] - [ 0.0025262600000000, 0.0002173100000000, -0.0088976700000000 ] - [ 0.0023369800000000, 0.0002101400000000, -0.0087923400000000 ] - [ 0.0022691200000000, -0.0000949200000000, -0.0088954400000000 ] - [ 0.0025941600000000, -0.0000895800000000, -0.0088026100000000 ] - [ 0.0026276700000000, 0.0000863800000000, -0.0087568200000000 ] - [ 0.0022311000000000, 0.0000837400000000, -0.0089407500000000 ] - [ -0.0024336300000000, -0.0001662800000000, 0.0088353500000000 ] - [ -0.0025777900000000, -0.0000270100000000, 0.0088128700000000 ] - [ -0.0024291600000000, 0.0001522300000000, 0.0088479200000000 ] - [ -0.0022801600000000, -0.0000275800000000, 0.0088909300000000 ] - [ -0.0024295800000000, 0.0001218500000000, 0.0088502500000000 ] - [ -0.0023680800000000, -0.0001061200000000, 0.0087731900000000 ] - [ -0.0024288400000000, 0.0000899600000000, 0.0088479000000000 ] - [ -0.0024944100000000, -0.0001080100000000, 0.0089237200000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0192933600000000, 0.0000000000000000, 0.0010150500000000 ] - [ -0.0051418000000000, -0.0001155900000000, -0.0056794400000000 ] - [ -0.0051798900000000, 0.0000000000000000, -0.0055921300000000 ] - [ -0.0051418000000000, 0.0001155900000000, -0.0056794400000000 ] - [ -0.0056767800000000, 0.0000000000000000, -0.0059729000000000 ] - [ -0.0053604800000000, 0.0002198700000000, -0.0058079300000000 ] - [ -0.0052522800000000, 0.0000000000000000, -0.0056467500000000 ] - [ -0.0053604800000000, -0.0002198700000000, -0.0058079300000000 ] - [ 0.0055536000000000, -0.0002529500000000, 0.0059014300000000 ] - [ 0.0055536000000000, 0.0002529500000000, 0.0059014300000000 ] - [ 0.0052607800000000, 0.0000708500000000, 0.0056685300000000 ] - [ 0.0052607800000000, -0.0000708500000000, 0.0056685300000000 ] - [ 0.0051153900000000, -0.0002385500000000, 0.0052868300000000 ] - [ 0.0051153900000000, 0.0002385500000000, 0.0052868300000000 ] - [ 0.0050691400000000, -0.0002567400000000, 0.0053882800000000 ] - [ 0.0050691400000000, 0.0002567400000000, 0.0053882800000000 ] - [ 0.0048291600000000, -0.0000454900000000, -0.0053131700000000 ] - [ 0.0048291600000000, 0.0000454900000000, -0.0053131700000000 ] - [ 0.0051512500000000, 0.0000240800000000, -0.0055429300000000 ] - [ 0.0051512500000000, -0.0000240800000000, -0.0055429300000000 ] - [ 0.0052114100000000, -0.0000196900000000, -0.0058411000000000 ] - [ 0.0052114100000000, 0.0000196900000000, -0.0058411000000000 ] - [ 0.0052370000000000, 0.0000258600000000, -0.0056631000000000 ] - [ 0.0052370000000000, -0.0000258600000000, -0.0056631000000000 ] - [ -0.0053607400000000, 0.0000000000000000, 0.0055891700000000 ] - [ -0.0054468900000000, -0.0000372700000000, 0.0057066700000000 ] - [ -0.0052669800000000, 0.0000000000000000, 0.0056362100000000 ] - [ -0.0054468900000000, 0.0000372700000000, 0.0057066700000000 ] - [ -0.0048166700000000, 0.0000000000000000, 0.0052377900000000 ] - [ -0.0051439500000000, 0.0000436900000000, 0.0055351500000000 ] - [ -0.0052090500000000, 0.0000000000000000, 0.0055589300000000 ] - [ -0.0051439500000000, -0.0000436900000000, 0.0055351500000000 ] - [ -0.0008356500000000, 0.0000000000000000, 0.0159496000000000 ] - [ -0.0032084700000000, 0.0002509900000000, -0.0079423000000000 ] - [ -0.0033288600000000, 0.0000000000000000, -0.0079448200000000 ] - [ -0.0032084700000000, -0.0002509900000000, -0.0079423000000000 ] - [ -0.0032963500000000, 0.0000000000000000, -0.0061002100000000 ] - [ -0.0033070800000000, 0.0000073100000000, -0.0081829100000000 ] - [ -0.0033054200000000, 0.0000000000000000, -0.0080898200000000 ] - [ -0.0033070800000000, -0.0000073100000000, -0.0081829100000000 ] - [ -0.0032053600000000, 0.0000000000000000, 0.0080908000000000 ] - [ -0.0033227400000000, 0.0000477100000000, 0.0080310200000000 ] - [ -0.0033294700000000, 0.0000000000000000, 0.0080006700000000 ] - [ -0.0033227400000000, -0.0000477100000000, 0.0080310200000000 ] - [ -0.0034077300000000, 0.0000000000000000, 0.0079052900000000 ] - [ -0.0033411800000000, 0.0000394800000000, 0.0079235100000000 ] - [ -0.0033410600000000, 0.0000000000000000, 0.0079532200000000 ] - [ -0.0033411800000000, -0.0000394800000000, 0.0079235100000000 ] - [ 0.0034542600000000, 0.0001421500000000, -0.0079000300000000 ] - [ 0.0034542600000000, -0.0001421500000000, -0.0079000300000000 ] - [ 0.0032924700000000, -0.0000251000000000, -0.0079332400000000 ] - [ 0.0032924700000000, 0.0000251000000000, -0.0079332400000000 ] - [ 0.0033032400000000, -0.0000418800000000, -0.0079752100000000 ] - [ 0.0033032400000000, 0.0000418800000000, -0.0079752100000000 ] - [ 0.0033046500000000, 0.0000250300000000, -0.0079724500000000 ] - [ 0.0033046500000000, -0.0000250300000000, -0.0079724500000000 ] - [ 0.0062838600000000, -0.0033083000000000, 0.0073937900000000 ] - [ 0.0062838600000000, 0.0033083000000000, 0.0073937900000000 ] - [ 0.0034352500000000, -0.0002795500000000, 0.0079831400000000 ] - [ 0.0034352500000000, 0.0002795500000000, 0.0079831400000000 ] - [ 0.0033608500000000, -0.0004129200000000, 0.0077348700000000 ] - [ 0.0033608500000000, 0.0004129200000000, 0.0077348700000000 ] - [ 0.0033199700000000, 0.0000898300000000, 0.0079375000000000 ] - [ 0.0033199700000000, -0.0000898300000000, 0.0079375000000000 ] - [ 0.0106889300000000, 0.0000000000000000, -0.0468604200000000 ] - [ -0.0020865500000000, 0.0001903100000000, -0.0063421700000000 ] - [ -0.0019502700000000, 0.0000000000000000, -0.0060772900000000 ] - [ -0.0020865500000000, -0.0001903100000000, -0.0063421700000000 ] - [ -0.0019598700000000, 0.0000000000000000, -0.0064471800000000 ] - [ -0.0018686800000000, -0.0000354300000000, -0.0059186900000000 ] - [ -0.0018921500000000, 0.0000000000000000, -0.0059447700000000 ] - [ -0.0018686800000000, 0.0000354300000000, -0.0059186900000000 ] - [ 0.0019715200000000, 0.0000100100000000, -0.0059490500000000 ] - [ 0.0019715200000000, -0.0000100100000000, -0.0059490500000000 ] - [ 0.0019332400000000, -0.0000058800000000, -0.0059770300000000 ] - [ 0.0019332400000000, 0.0000058800000000, -0.0059770300000000 ] - [ 0.0019245500000000, -0.0000034400000000, -0.0059450200000000 ] - [ 0.0019245500000000, 0.0000034400000000, -0.0059450200000000 ] - [ 0.0019266200000000, -0.0000001100000000, -0.0059756100000000 ] - [ 0.0019266200000000, 0.0000001100000000, -0.0059756100000000 ] - [ -0.0003382100000000, 0.0036784900000000, 0.0061460100000000 ] - [ -0.0003382100000000, -0.0036784900000000, 0.0061460100000000 ] - [ 0.0018935400000000, -0.0000457000000000, 0.0059533400000000 ] - [ 0.0018935400000000, 0.0000457000000000, 0.0059533400000000 ] - [ 0.0018795800000000, 0.0000567000000000, 0.0058453100000000 ] - [ 0.0018795800000000, -0.0000567000000000, 0.0058453100000000 ] - [ 0.0019195900000000, -0.0000144600000000, 0.0059952000000000 ] - [ 0.0019195900000000, 0.0000144600000000, 0.0059952000000000 ] - [ -0.0019312900000000, 0.0000000000000000, 0.0060454800000000 ] - [ -0.0018981000000000, 0.0000082700000000, 0.0060532400000000 ] - [ -0.0019180300000000, 0.0000000000000000, 0.0059992800000000 ] - [ -0.0018981000000000, -0.0000082700000000, 0.0060532400000000 ] - [ -0.0019713500000000, 0.0000000000000000, 0.0059687300000000 ] - [ -0.0019338100000000, -0.0000095600000000, 0.0059739500000000 ] - [ -0.0019057000000000, 0.0000000000000000, 0.0059732500000000 ] - [ -0.0019338100000000, 0.0000095600000000, 0.0059739500000000 ] - [ -0.0045227800000000, 0.0000000000000000, -0.0076429200000000 ] - [ -0.0024777600000000, -0.0002804400000000, -0.0088679500000000 ] - [ -0.0024303300000000, 0.0000000000000000, -0.0088707700000000 ] - [ -0.0024777600000000, 0.0002804400000000, -0.0088679500000000 ] - [ -0.0003040200000000, 0.0000000000000000, -0.0062158900000000 ] - [ -0.0023847400000000, 0.0002013800000000, -0.0079215600000000 ] - [ -0.0024663500000000, 0.0000000000000000, -0.0088256600000000 ] - [ -0.0023847400000000, -0.0002013800000000, -0.0079215600000000 ] - [ 0.0008010700000000, -0.0022243100000000, 0.0121328600000000 ] - [ 0.0008010700000000, 0.0022243100000000, 0.0121328600000000 ] - [ 0.0023585000000000, -0.0000035400000000, 0.0090671100000000 ] - [ 0.0023585000000000, 0.0000035400000000, 0.0090671100000000 ] - [ 0.0035606400000000, 0.0020007200000000, 0.0099557200000000 ] - [ 0.0035606400000000, -0.0020007200000000, 0.0099557200000000 ] - [ 0.0024191700000000, -0.0001730000000000, 0.0088079200000000 ] - [ 0.0024191700000000, 0.0001730000000000, 0.0088079200000000 ] - [ 0.0022331200000000, 0.0000582800000000, -0.0092448900000000 ] - [ 0.0022331200000000, -0.0000582800000000, -0.0092448900000000 ] - [ 0.0024423700000000, 0.0000426000000000, -0.0090149100000000 ] - [ 0.0024423700000000, -0.0000426000000000, -0.0090149100000000 ] - [ 0.0023848700000000, 0.0001261400000000, -0.0087223300000000 ] - [ 0.0023848700000000, -0.0001261400000000, -0.0087223300000000 ] - [ 0.0024987700000000, -0.0000609300000000, -0.0087304700000000 ] - [ 0.0024987700000000, 0.0000609300000000, -0.0087304700000000 ] - [ -0.0031133700000000, 0.0000000000000000, 0.0073951300000000 ] - [ -0.0024507000000000, -0.0000172400000000, 0.0086023600000000 ] - [ -0.0024251700000000, 0.0000000000000000, 0.0087423100000000 ] - [ -0.0024507000000000, 0.0000172400000000, 0.0086023600000000 ] - [ -0.0020842100000000, 0.0000000000000000, 0.0090566300000000 ] - [ -0.0022806700000000, -0.0000666400000000, 0.0089445300000000 ] - [ -0.0023836600000000, 0.0000000000000000, 0.0089045200000000 ] - [ -0.0022806700000000, 0.0000666400000000, 0.0089445300000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0087065900000000, 0.0000000000000000, -0.0121556900000000 ] - [ -0.0053372900000000, 0.0001155700000000, -0.0054147900000000 ] - [ -0.0052901700000000, 0.0000000000000000, -0.0055130900000000 ] - [ -0.0053372900000000, -0.0001155700000000, -0.0054147900000000 ] - [ -0.0048060700000000, 0.0000000000000000, -0.0051410900000000 ] - [ -0.0050835600000000, -0.0002114900000000, -0.0053143800000000 ] - [ -0.0052160100000000, 0.0000000000000000, -0.0054580200000000 ] - [ -0.0050835600000000, 0.0002114900000000, -0.0053143800000000 ] - [ 0.0049244700000000, 0.0002413900000000, 0.0052164600000000 ] - [ 0.0049244700000000, -0.0002413900000000, 0.0052164600000000 ] - [ 0.0052201100000000, -0.0000750900000000, 0.0054398600000000 ] - [ 0.0052201100000000, 0.0000750900000000, 0.0054398600000000 ] - [ 0.0053554700000000, 0.0002371300000000, 0.0058152100000000 ] - [ 0.0053554700000000, -0.0002371300000000, 0.0058152100000000 ] - [ 0.0054086600000000, 0.0002552400000000, 0.0057237900000000 ] - [ 0.0054086600000000, -0.0002552400000000, 0.0057237900000000 ] - [ 0.0056292600000000, 0.0000432100000000, -0.0057871400000000 ] - [ 0.0056292600000000, -0.0000432100000000, -0.0057871400000000 ] - [ 0.0053053200000000, -0.0000220200000000, -0.0055709300000000 ] - [ 0.0053053200000000, 0.0000220200000000, -0.0055709300000000 ] - [ 0.0052410100000000, 0.0000213400000000, -0.0052856900000000 ] - [ 0.0052410100000000, -0.0000213400000000, -0.0052856900000000 ] - [ 0.0052238200000000, -0.0000233800000000, -0.0054520200000000 ] - [ 0.0052238200000000, 0.0000233800000000, -0.0054520200000000 ] - [ -0.0051090900000000, 0.0000000000000000, 0.0055240600000000 ] - [ -0.0050096000000000, 0.0000383900000000, 0.0054232200000000 ] - [ -0.0051839600000000, 0.0000000000000000, 0.0054954600000000 ] - [ -0.0050096000000000, -0.0000383900000000, 0.0054232200000000 ] - [ -0.0055879400000000, 0.0000000000000000, 0.0058949600000000 ] - [ -0.0052949400000000, -0.0000418500000000, 0.0055918500000000 ] - [ -0.0052787600000000, 0.0000000000000000, 0.0055537500000000 ] - [ -0.0052949400000000, 0.0000418500000000, 0.0055918500000000 ] - [ -0.0058485000000000, 0.0000000000000000, -0.0338177800000000 ] - [ -0.0034697200000000, -0.0002391600000000, -0.0081728000000000 ] - [ -0.0033589400000000, 0.0000000000000000, -0.0081630700000000 ] - [ -0.0034697200000000, 0.0002391600000000, -0.0081728000000000 ] - [ -0.0033885500000000, 0.0000000000000000, -0.0099787900000000 ] - [ -0.0033850200000000, -0.0000138300000000, -0.0079246200000000 ] - [ -0.0033832700000000, 0.0000000000000000, -0.0080315900000000 ] - [ -0.0033850200000000, 0.0000138300000000, -0.0079246200000000 ] - [ -0.0034773800000000, 0.0000000000000000, 0.0079897300000000 ] - [ -0.0033596400000000, -0.0000462500000000, 0.0080588600000000 ] - [ -0.0033422800000000, 0.0000000000000000, 0.0081275800000000 ] - [ -0.0033596400000000, 0.0000462500000000, 0.0080588600000000 ] - [ -0.0032665500000000, 0.0000000000000000, 0.0081990600000000 ] - [ -0.0033389200000000, -0.0000423600000000, 0.0081719300000000 ] - [ -0.0033373000000000, 0.0000000000000000, 0.0081307600000000 ] - [ -0.0033389200000000, 0.0000423600000000, 0.0081719300000000 ] - [ 0.0032246700000000, -0.0001460800000000, -0.0081880600000000 ] - [ 0.0032246700000000, 0.0001460800000000, -0.0081880600000000 ] - [ 0.0033783800000000, 0.0000368400000000, -0.0081518400000000 ] - [ 0.0033783800000000, -0.0000368400000000, -0.0081518400000000 ] - [ 0.0033502300000000, 0.0000520000000000, -0.0081143800000000 ] - [ 0.0033502300000000, -0.0000520000000000, -0.0081143800000000 ] - [ 0.0033789100000000, -0.0000514000000000, -0.0081221800000000 ] - [ 0.0033789100000000, 0.0000514000000000, -0.0081221800000000 ] - [ 0.0004367600000000, 0.0032886100000000, 0.0086945900000000 ] - [ 0.0004367600000000, -0.0032886100000000, 0.0086945900000000 ] - [ 0.0032505600000000, 0.0002745300000000, 0.0081444400000000 ] - [ 0.0032505600000000, -0.0002745300000000, 0.0081444400000000 ] - [ 0.0033147600000000, 0.0003899200000000, 0.0083737900000000 ] - [ 0.0033147600000000, -0.0003899200000000, 0.0083737900000000 ] - [ 0.0033543900000000, -0.0000996800000000, 0.0081789000000000 ] - [ 0.0033543900000000, 0.0000996800000000, 0.0081789000000000 ] - [ -0.0145078900000000, 0.0000000000000000, 0.0360173400000000 ] - [ -0.0017347100000000, -0.0001964600000000, -0.0055416400000000 ] - [ -0.0018856700000000, 0.0000000000000000, -0.0058006000000000 ] - [ -0.0017347100000000, 0.0001964600000000, -0.0055416400000000 ] - [ -0.0018696400000000, 0.0000000000000000, -0.0054594500000000 ] - [ -0.0019670400000000, 0.0000362300000000, -0.0059561200000000 ] - [ -0.0019347800000000, 0.0000000000000000, -0.0059402100000000 ] - [ -0.0019670400000000, -0.0000362300000000, -0.0059561200000000 ] - [ 0.0018634100000000, -0.0000116900000000, -0.0059616300000000 ] - [ 0.0018634100000000, 0.0000116900000000, -0.0059616300000000 ] - [ 0.0019253700000000, -0.0000074500000000, -0.0059158400000000 ] - [ 0.0019253700000000, 0.0000074500000000, -0.0059158400000000 ] - [ 0.0019312500000000, 0.0000007400000000, -0.0059402900000000 ] - [ 0.0019312500000000, -0.0000007400000000, -0.0059402900000000 ] - [ 0.0019181900000000, 0.0000065800000000, -0.0059192200000000 ] - [ 0.0019181900000000, -0.0000065800000000, -0.0059192200000000 ] - [ 0.0042102700000000, -0.0037658500000000, 0.0057150600000000 ] - [ 0.0042102700000000, 0.0037658500000000, 0.0057150600000000 ] - [ 0.0019279700000000, 0.0000431400000000, 0.0059262500000000 ] - [ 0.0019279700000000, -0.0000431400000000, 0.0059262500000000 ] - [ 0.0019441100000000, -0.0000612900000000, 0.0060458900000000 ] - [ 0.0019441100000000, 0.0000612900000000, 0.0060458900000000 ] - [ 0.0019017600000000, 0.0000098700000000, 0.0058947600000000 ] - [ 0.0019017600000000, -0.0000098700000000, 0.0058947600000000 ] - [ -0.0019060900000000, 0.0000000000000000, 0.0058517500000000 ] - [ -0.0019564500000000, -0.0000150200000000, 0.0058509200000000 ] - [ -0.0019191800000000, 0.0000000000000000, 0.0058991300000000 ] - [ -0.0019564500000000, 0.0000150200000000, 0.0058509200000000 ] - [ -0.0018933500000000, 0.0000000000000000, 0.0059337100000000 ] - [ -0.0019282400000000, 0.0000107100000000, 0.0059327800000000 ] - [ -0.0019350800000000, 0.0000000000000000, 0.0059266500000000 ] - [ -0.0019282400000000, -0.0000107100000000, 0.0059327800000000 ] - [ -0.0003662500000000, 0.0000000000000000, -0.0100440600000000 ] - [ -0.0023730200000000, 0.0002716600000000, -0.0088241500000000 ] - [ -0.0024227800000000, 0.0000000000000000, -0.0088347000000000 ] - [ -0.0023730200000000, -0.0002716600000000, -0.0088241500000000 ] - [ -0.0044322700000000, 0.0000000000000000, -0.0113879800000000 ] - [ -0.0024518300000000, -0.0001834800000000, -0.0097559900000000 ] - [ -0.0023842400000000, 0.0000000000000000, -0.0088615400000000 ] - [ -0.0024518300000000, 0.0001834800000000, -0.0097559900000000 ] - [ 0.0039680300000000, 0.0020979800000000, 0.0056898000000000 ] - [ 0.0039680300000000, -0.0020979800000000, 0.0056898000000000 ] - [ 0.0024909400000000, 0.0000019300000000, 0.0086437500000000 ] - [ 0.0024909400000000, -0.0000019300000000, 0.0086437500000000 ] - [ 0.0013155700000000, -0.0019622200000000, 0.0077655400000000 ] - [ 0.0013155700000000, 0.0019622200000000, 0.0077655400000000 ] - [ 0.0024291100000000, 0.0001667900000000, 0.0088923300000000 ] - [ 0.0024291100000000, -0.0001667900000000, 0.0088923300000000 ] - [ 0.0026138200000000, -0.0000584000000000, -0.0084546000000000 ] - [ 0.0026138200000000, 0.0000584000000000, -0.0084546000000000 ] - [ 0.0024091500000000, -0.0000473300000000, -0.0086826600000000 ] - [ 0.0024091500000000, 0.0000473300000000, -0.0086826600000000 ] - [ 0.0024664500000000, -0.0001235900000000, -0.0089657400000000 ] - [ 0.0024664500000000, 0.0001235900000000, -0.0089657400000000 ] - [ 0.0023537800000000, 0.0000564300000000, -0.0089641100000000 ] - [ 0.0023537800000000, -0.0000564300000000, -0.0089641100000000 ] - [ -0.0017499600000000, 0.0000000000000000, 0.0102932500000000 ] - [ -0.0024027400000000, 0.0000193600000000, 0.0090950300000000 ] - [ -0.0024239000000000, 0.0000000000000000, 0.0089592300000000 ] - [ -0.0024027400000000, -0.0000193600000000, 0.0090950300000000 ] - [ -0.0027543300000000, 0.0000000000000000, 0.0086556500000000 ] - [ -0.0025643000000000, 0.0000668500000000, 0.0087668500000000 ] - [ -0.0024643100000000, 0.0000000000000000, 0.0087935400000000 ] - [ -0.0025643000000000, -0.0000668500000000, 0.0087668500000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0063758000000000, 0.0000000000000000, -0.0052830300000000 ] - [ -0.0057745600000000, 0.0002728300000000, -0.0059267200000000 ] - [ -0.0055472100000000, 0.0000000000000000, -0.0058143100000000 ] - [ -0.0057745600000000, -0.0002728300000000, -0.0059267200000000 ] - [ -0.0062663200000000, 0.0000000000000000, -0.0066468800000000 ] - [ -0.0067712400000000, 0.0010714600000000, -0.0062124800000000 ] - [ -0.0054017400000000, 0.0000000000000000, -0.0057838400000000 ] - [ -0.0067712400000000, -0.0010714600000000, -0.0062124800000000 ] - [ 0.0159361000000000, -0.0121168100000000, 0.0175557700000000 ] - [ 0.0159361000000000, 0.0121168100000000, 0.0175557700000000 ] - [ 0.0059078900000000, -0.0002974800000000, 0.0060153500000000 ] - [ 0.0059078900000000, 0.0002974800000000, 0.0060153500000000 ] - [ 0.0072544300000000, 0.0003627300000000, 0.0067186300000000 ] - [ 0.0072544300000000, -0.0003627300000000, 0.0067186300000000 ] - [ 0.0057617500000000, 0.0000683800000000, 0.0059053600000000 ] - [ 0.0057617500000000, -0.0000683800000000, 0.0059053600000000 ] - [ 0.0032362600000000, -0.0002438400000000, -0.0048349300000000 ] - [ 0.0032362600000000, 0.0002438400000000, -0.0048349300000000 ] - [ 0.0047865700000000, 0.0000055300000000, -0.0053439100000000 ] - [ 0.0047865700000000, -0.0000055300000000, -0.0053439100000000 ] - [ 0.0041858300000000, 0.0000372100000000, -0.0051548800000000 ] - [ 0.0041858300000000, -0.0000372100000000, -0.0051548800000000 ] - [ 0.0046029800000000, -0.0001517800000000, -0.0053580200000000 ] - [ 0.0046029800000000, 0.0001517800000000, -0.0053580200000000 ] - [ -0.0047098500000000, 0.0000000000000000, 0.0045261700000000 ] - [ -0.0048846300000000, -0.0005248000000000, 0.0049453000000000 ] - [ -0.0049691300000000, 0.0000000000000000, 0.0054239500000000 ] - [ -0.0048846300000000, 0.0005248000000000, 0.0049453000000000 ] - [ 0.0142367100000000, 0.0000000000000000, -0.0077572000000000 ] - [ -0.0046491700000000, -0.0013820100000000, 0.0056010400000000 ] - [ -0.0049506800000000, 0.0000000000000000, 0.0054355300000000 ] - [ -0.0046491700000000, 0.0013820100000000, 0.0056010400000000 ] - [ 0.0167489100000000, 0.0000000000000000, -0.0192752400000000 ] - [ -0.0018775500000000, 0.0002618200000000, -0.0075720100000000 ] - [ -0.0032190000000000, 0.0000000000000000, -0.0079153200000000 ] - [ -0.0018775500000000, -0.0002618200000000, -0.0075720100000000 ] - [ -0.0032403000000000, 0.0000000000000000, -0.0091197100000000 ] - [ -0.0033166700000000, 0.0006128300000000, -0.0087266900000000 ] - [ -0.0032429000000000, 0.0000000000000000, -0.0079390900000000 ] - [ -0.0033166700000000, -0.0006128300000000, -0.0087266900000000 ] - [ -0.0040825600000000, 0.0000000000000000, 0.0074097700000000 ] - [ -0.0037879800000000, -0.0002858000000000, 0.0079493300000000 ] - [ -0.0033985900000000, 0.0000000000000000, 0.0079750500000000 ] - [ -0.0037879800000000, 0.0002858000000000, 0.0079493300000000 ] - [ -0.0048885000000000, 0.0000000000000000, 0.0093272500000000 ] - [ -0.0041864300000000, -0.0011954500000000, 0.0086831200000000 ] - [ -0.0035117300000000, 0.0000000000000000, 0.0080735800000000 ] - [ -0.0041864300000000, 0.0011954500000000, 0.0086831200000000 ] - [ 0.0026331400000000, 0.0002125800000000, -0.0079061300000000 ] - [ 0.0026331400000000, -0.0002125800000000, -0.0079061300000000 ] - [ 0.0031207100000000, -0.0001197600000000, -0.0077666900000000 ] - [ 0.0031207100000000, 0.0001197600000000, -0.0077666900000000 ] - [ 0.0014926300000000, 0.0012116400000000, -0.0074468200000000 ] - [ 0.0014926300000000, -0.0012116400000000, -0.0074468200000000 ] - [ 0.0031552800000000, -0.0001516900000000, -0.0079382000000000 ] - [ 0.0031552800000000, 0.0001516900000000, -0.0079382000000000 ] - [ 0.0040938300000000, -0.0007779500000000, 0.0086380500000000 ] - [ 0.0040938300000000, 0.0007779500000000, 0.0086380500000000 ] - [ 0.0034380600000000, 0.0001785800000000, 0.0080465900000000 ] - [ 0.0034380600000000, -0.0001785800000000, 0.0080465900000000 ] - [ 0.0078304400000000, 0.0042816700000000, 0.0139562000000000 ] - [ 0.0078304400000000, -0.0042816700000000, 0.0139562000000000 ] - [ 0.0038002800000000, 0.0002269600000000, 0.0086188800000000 ] - [ 0.0038002800000000, -0.0002269600000000, 0.0086188800000000 ] - [ -0.0023103200000000, 0.0000000000000000, -0.0080415700000000 ] - [ -0.0017528500000000, -0.0001507800000000, -0.0060196900000000 ] - [ -0.0018674300000000, 0.0000000000000000, -0.0059738700000000 ] - [ -0.0017528500000000, 0.0001507800000000, -0.0060196900000000 ] - [ -0.0005731900000000, 0.0000000000000000, -0.0039552300000000 ] - [ -0.0011848200000000, -0.0001708600000000, -0.0059365300000000 ] - [ -0.0019178700000000, 0.0000000000000000, -0.0060133500000000 ] - [ -0.0011848200000000, 0.0001708600000000, -0.0059365300000000 ] - [ 0.0022631800000000, -0.0003697700000000, -0.0057848700000000 ] - [ 0.0022631800000000, 0.0003697700000000, -0.0057848700000000 ] - [ 0.0020915400000000, 0.0000943600000000, -0.0059924800000000 ] - [ 0.0020915400000000, -0.0000943600000000, -0.0059924800000000 ] - [ 0.0020307300000000, -0.0001547700000000, -0.0059382900000000 ] - [ 0.0020307300000000, 0.0001547700000000, -0.0059382900000000 ] - [ 0.0021686900000000, 0.0001996300000000, -0.0060478700000000 ] - [ 0.0021686900000000, -0.0001996300000000, -0.0060478700000000 ] - [ -0.0012502300000000, 0.0020852500000000, 0.0043960700000000 ] - [ -0.0012502300000000, -0.0020852500000000, 0.0043960700000000 ] - [ 0.0017243000000000, -0.0000738600000000, 0.0059081900000000 ] - [ 0.0017243000000000, 0.0000738600000000, 0.0059081900000000 ] - [ 0.0018086200000000, 0.0000210100000000, 0.0070999100000000 ] - [ 0.0018086200000000, -0.0000210100000000, 0.0070999100000000 ] - [ 0.0017208700000000, -0.0001737300000000, 0.0059640300000000 ] - [ 0.0017208700000000, 0.0001737300000000, 0.0059640300000000 ] - [ -0.0019455100000000, 0.0000000000000000, 0.0056427600000000 ] - [ -0.0019768500000000, -0.0000637000000000, 0.0058363800000000 ] - [ -0.0020241900000000, 0.0000000000000000, 0.0059308400000000 ] - [ -0.0019768500000000, 0.0000637000000000, 0.0058363800000000 ] - [ 0.0013023300000000, 0.0000000000000000, 0.0066489800000000 ] - [ -0.0020053600000000, 0.0001494600000000, 0.0059963500000000 ] - [ -0.0020087000000000, 0.0000000000000000, 0.0059753000000000 ] - [ -0.0020053600000000, -0.0001494600000000, 0.0059963500000000 ] - [ -0.0848725200000000, 0.0000000000000000, -0.0097774300000000 ] - [ -0.0076755400000000, 0.0016727100000000, -0.0132632800000000 ] - [ -0.0033992800000000, 0.0000000000000000, -0.0092506300000000 ] - [ -0.0076755400000000, -0.0016727100000000, -0.0132632800000000 ] - [ -0.0054160500000000, 0.0000000000000000, -0.0087277700000000 ] - [ -0.0041375200000000, -0.0005488500000000, -0.0087398100000000 ] - [ -0.0029672600000000, 0.0000000000000000, -0.0088137400000000 ] - [ -0.0041375200000000, 0.0005488500000000, -0.0087398100000000 ] - [ 0.0040670300000000, 0.0011621300000000, 0.0087448200000000 ] - [ 0.0040670300000000, -0.0011621300000000, 0.0087448200000000 ] - [ 0.0031084800000000, -0.0006082000000000, 0.0088962900000000 ] - [ 0.0031084800000000, 0.0006082000000000, 0.0088962900000000 ] - [ 0.0095386000000000, 0.0056470800000000, 0.0094255000000000 ] - [ 0.0095386000000000, -0.0056470800000000, 0.0094255000000000 ] - [ 0.0028311700000000, -0.0006683700000000, 0.0083644800000000 ] - [ 0.0028311700000000, 0.0006683700000000, 0.0083644800000000 ] - [ 0.0049628500000000, -0.0013305500000000, -0.0062886400000000 ] - [ 0.0049628500000000, 0.0013305500000000, -0.0062886400000000 ] - [ 0.0021776800000000, 0.0004895100000000, -0.0088959500000000 ] - [ 0.0021776800000000, -0.0004895100000000, -0.0088959500000000 ] - [ 0.0049932300000000, -0.0076832600000000, -0.0147734100000000 ] - [ 0.0049932300000000, 0.0076832600000000, -0.0147734100000000 ] - [ 0.0021818300000000, 0.0007946300000000, -0.0092197300000000 ] - [ 0.0021818300000000, -0.0007946300000000, -0.0092197300000000 ] - [ 0.0002965300000000, 0.0000000000000000, 0.0092514000000000 ] - [ -0.0012744900000000, -0.0000463000000000, 0.0087538400000000 ] - [ -0.0018257100000000, 0.0000000000000000, 0.0088342500000000 ] - [ -0.0012744900000000, 0.0000463000000000, 0.0087538400000000 ] - [ 0.0005507400000000, 0.0000000000000000, 0.0089292700000000 ] - [ -0.0005789800000000, 0.0007479600000000, 0.0089344800000000 ] - [ -0.0018430300000000, 0.0000000000000000, 0.0089722300000000 ] - [ -0.0005789800000000, -0.0007479600000000, 0.0089344800000000 ]- atom: 97 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0041193700000000, 0.0000000000000000, -0.0058826900000000 ] - [ -0.0046901400000000, -0.0002697100000000, -0.0052529600000000 ] - [ -0.0049446700000000, 0.0000000000000000, -0.0053598200000000 ] - [ -0.0046901400000000, 0.0002697100000000, -0.0052529600000000 ] - [ -0.0042097500000000, 0.0000000000000000, -0.0045305900000000 ] - [ -0.0037001500000000, -0.0010819600000000, -0.0049673400000000 ] - [ -0.0050716600000000, 0.0000000000000000, -0.0053831600000000 ] - [ -0.0037001500000000, 0.0010819600000000, -0.0049673400000000 ] - [ -0.0054989800000000, 0.0119073200000000, -0.0062367900000000 ] - [ -0.0054989800000000, -0.0119073200000000, -0.0062367900000000 ] - [ 0.0045920900000000, 0.0003025400000000, 0.0051506400000000 ] - [ 0.0045920900000000, -0.0003025400000000, 0.0051506400000000 ] - [ 0.0032168100000000, -0.0003504800000000, 0.0044712800000000 ] - [ 0.0032168100000000, 0.0003504800000000, 0.0044712800000000 ] - [ 0.0047454700000000, -0.0000673300000000, 0.0052587100000000 ] - [ 0.0047454700000000, 0.0000673300000000, 0.0052587100000000 ] - [ 0.0072385900000000, 0.0002417200000000, -0.0063360900000000 ] - [ 0.0072385900000000, -0.0002417200000000, -0.0063360900000000 ] - [ 0.0057164500000000, -0.0000065600000000, -0.0058210700000000 ] - [ 0.0057164500000000, 0.0000065600000000, -0.0058210700000000 ] - [ 0.0063020800000000, -0.0000346400000000, -0.0060114000000000 ] - [ 0.0063020800000000, 0.0000346400000000, -0.0060114000000000 ] - [ 0.0058789600000000, 0.0001515300000000, -0.0058126200000000 ] - [ 0.0058789600000000, -0.0001515300000000, -0.0058126200000000 ] - [ -0.0057699500000000, 0.0000000000000000, 0.0066503900000000 ] - [ -0.0056080800000000, 0.0005282300000000, 0.0062253500000000 ] - [ -0.0055383800000000, 0.0000000000000000, 0.0057345500000000 ] - [ -0.0056080800000000, -0.0005282300000000, 0.0062253500000000 ] - [ -0.0238431100000000, 0.0000000000000000, 0.0180877800000000 ] - [ -0.0058309700000000, 0.0013778700000000, 0.0055662800000000 ] - [ -0.0055227100000000, 0.0000000000000000, 0.0057418600000000 ] - [ -0.0058309700000000, -0.0013778700000000, 0.0055662800000000 ] - [ -0.0242504000000000, 0.0000000000000000, 0.0039470500000000 ] - [ -0.0047959900000000, -0.0002779300000000, -0.0083591600000000 ] - [ -0.0034569600000000, 0.0000000000000000, -0.0080492000000000 ] - [ -0.0047959900000000, 0.0002779300000000, -0.0083591600000000 ] - [ -0.0034089900000000, 0.0000000000000000, -0.0067894400000000 ] - [ -0.0033535800000000, -0.0006392400000000, -0.0072353800000000 ] - [ -0.0034375100000000, 0.0000000000000000, -0.0080228800000000 ] - [ -0.0033535800000000, 0.0006392400000000, -0.0072353800000000 ] - [ -0.0025660500000000, 0.0000000000000000, 0.0085338400000000 ] - [ -0.0028710500000000, 0.0002705300000000, 0.0080125800000000 ] - [ -0.0032760700000000, 0.0000000000000000, 0.0079823300000000 ] - [ -0.0028710500000000, -0.0002705300000000, 0.0080125800000000 ] - [ -0.0017804600000000, 0.0000000000000000, 0.0066405500000000 ] - [ -0.0024810700000000, 0.0011971700000000, 0.0072942900000000 ] - [ -0.0031504400000000, 0.0000000000000000, 0.0079112600000000 ] - [ -0.0024810700000000, -0.0011971700000000, 0.0072942900000000 ] - [ 0.0040407900000000, -0.0002100700000000, -0.0080671700000000 ] - [ 0.0040407900000000, 0.0002100700000000, -0.0080671700000000 ] - [ 0.0035606300000000, 0.0001139300000000, -0.0082038700000000 ] - [ 0.0035606300000000, -0.0001139300000000, -0.0082038700000000 ] - [ 0.0051625600000000, -0.0012039100000000, -0.0085045300000000 ] - [ 0.0051625600000000, 0.0012039100000000, -0.0085045300000000 ] - [ 0.0035039300000000, 0.0001632200000000, -0.0080319800000000 ] - [ 0.0035039300000000, -0.0001632200000000, -0.0080319800000000 ] - [ 0.0025582900000000, 0.0007658600000000, 0.0073066400000000 ] - [ 0.0025582900000000, -0.0007658600000000, 0.0073066400000000 ] - [ 0.0032154300000000, -0.0001942400000000, 0.0079163900000000 ] - [ 0.0032154300000000, 0.0001942400000000, 0.0079163900000000 ] - [ -0.0012072800000000, -0.0043461600000000, 0.0019121900000000 ] - [ -0.0012072800000000, 0.0043461600000000, 0.0019121900000000 ] - [ 0.0028498400000000, -0.0002122200000000, 0.0073554900000000 ] - [ 0.0028498400000000, 0.0002122200000000, 0.0073554900000000 ] - [ -0.0015595400000000, 0.0000000000000000, -0.0039056000000000 ] - [ -0.0021112700000000, 0.0001527600000000, -0.0059376200000000 ] - [ -0.0019989800000000, 0.0000000000000000, -0.0059878700000000 ] - [ -0.0021112700000000, -0.0001527600000000, -0.0059376200000000 ] - [ -0.0033427100000000, 0.0000000000000000, -0.0080832300000000 ] - [ -0.0026814500000000, 0.0001492300000000, -0.0060143400000000 ] - [ -0.0019246400000000, 0.0000000000000000, -0.0059383500000000 ] - [ -0.0026814500000000, -0.0001492300000000, -0.0060143400000000 ] - [ 0.0016072300000000, 0.0003698100000000, -0.0061786700000000 ] - [ 0.0016072300000000, -0.0003698100000000, -0.0061786700000000 ] - [ 0.0017744400000000, -0.0000932200000000, -0.0059714600000000 ] - [ 0.0017744400000000, 0.0000932200000000, -0.0059714600000000 ] - [ 0.0018483800000000, 0.0001605000000000, -0.0060223400000000 ] - [ 0.0018483800000000, -0.0001605000000000, -0.0060223400000000 ] - [ 0.0017121100000000, -0.0001960500000000, -0.0059050000000000 ] - [ 0.0017121100000000, 0.0001960500000000, -0.0059050000000000 ] - [ 0.0051250600000000, -0.0021288400000000, 0.0075838700000000 ] - [ 0.0051250600000000, 0.0021288400000000, 0.0075838700000000 ] - [ 0.0021385800000000, 0.0000738300000000, 0.0060595600000000 ] - [ 0.0021385800000000, -0.0000738300000000, 0.0060595600000000 ] - [ 0.0020521300000000, -0.0000141900000000, 0.0048738900000000 ] - [ 0.0020521300000000, 0.0000141900000000, 0.0048738900000000 ] - [ 0.0021402900000000, 0.0001677100000000, 0.0060000100000000 ] - [ 0.0021402900000000, -0.0001677100000000, 0.0060000100000000 ] - [ -0.0019262000000000, 0.0000000000000000, 0.0063182300000000 ] - [ -0.0018989400000000, 0.0000644700000000, 0.0061234200000000 ] - [ -0.0018426500000000, 0.0000000000000000, 0.0060268700000000 ] - [ -0.0018989400000000, -0.0000644700000000, 0.0061234200000000 ] - [ -0.0051594600000000, 0.0000000000000000, 0.0053057400000000 ] - [ -0.0018634000000000, -0.0001519100000000, 0.0059641800000000 ] - [ -0.0018593900000000, 0.0000000000000000, 0.0059791400000000 ] - [ -0.0018634000000000, 0.0001519100000000, 0.0059641800000000 ] - [ 0.0803376000000000, 0.0000000000000000, -0.0078471500000000 ] - [ 0.0028622400000000, -0.0017180900000000, -0.0044143800000000 ] - [ -0.0014436700000000, 0.0000000000000000, -0.0084651800000000 ] - [ 0.0028622400000000, 0.0017180900000000, -0.0044143800000000 ] - [ 0.0005949300000000, 0.0000000000000000, -0.0089718600000000 ] - [ -0.0007013500000000, 0.0005471100000000, -0.0089785200000000 ] - [ -0.0018529500000000, 0.0000000000000000, -0.0089024100000000 ] - [ -0.0007013500000000, -0.0005471100000000, -0.0089785200000000 ] - [ 0.0007636800000000, -0.0011813800000000, 0.0089572200000000 ] - [ 0.0007636800000000, 0.0011813800000000, 0.0089572200000000 ] - [ 0.0017190300000000, 0.0006000700000000, 0.0088019200000000 ] - [ 0.0017190300000000, -0.0006000700000000, 0.0088019200000000 ] - [ -0.0047977000000000, -0.0057090400000000, 0.0082649800000000 ] - [ -0.0047977000000000, 0.0057090400000000, 0.0082649800000000 ] - [ 0.0020061300000000, 0.0006824800000000, 0.0093394200000000 ] - [ 0.0020061300000000, -0.0006824800000000, 0.0093394200000000 ] - [ -0.0001618600000000, 0.0013252000000000, -0.0114353000000000 ] - [ -0.0001618600000000, -0.0013252000000000, -0.0114353000000000 ] - [ 0.0026477000000000, -0.0004896500000000, -0.0088156500000000 ] - [ 0.0026477000000000, 0.0004896500000000, -0.0088156500000000 ] - [ -0.0001368200000000, 0.0076599600000000, -0.0029575900000000 ] - [ -0.0001368200000000, -0.0076599600000000, -0.0029575900000000 ] - [ 0.0026619200000000, -0.0007877500000000, -0.0084901000000000 ] - [ 0.0026619200000000, 0.0007877500000000, -0.0084901000000000 ] - [ -0.0051343600000000, 0.0000000000000000, 0.0084631200000000 ] - [ -0.0035623600000000, 0.0000487800000000, 0.0089517000000000 ] - [ -0.0030082100000000, 0.0000000000000000, 0.0088818200000000 ] - [ -0.0035623600000000, -0.0000487800000000, 0.0089517000000000 ] - [ -0.0053813200000000, 0.0000000000000000, 0.0087750200000000 ] - [ -0.0042621600000000, -0.0007461700000000, 0.0087733900000000 ] - [ -0.0030044800000000, 0.0000000000000000, 0.0087357500000000 ] - [ -0.0042621600000000, 0.0007461700000000, 0.0087733900000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0052117100000000, 0.0008020500000000, -0.0056118800000000 ] - [ -0.0050329000000000, -0.0000745900000000, -0.0057304000000000 ] - [ -0.0051981900000000, -0.0007643200000000, -0.0056178700000000 ] - [ -0.0053666600000000, -0.0000768300000000, -0.0055080100000000 ] - [ -0.0051855100000000, 0.0023701400000000, -0.0056228400000000 ] - [ -0.0036775900000000, -0.0007048600000000, -0.0056541000000000 ] - [ -0.0052019400000000, -0.0011357900000000, -0.0056216300000000 ] - [ -0.0067427200000000, -0.0007089000000000, -0.0055719100000000 ] - [ -0.0054520400000000, 0.0238125600000000, -0.0111671100000000 ] - [ 0.0163709000000000, 0.0246401400000000, 0.0231767300000000 ] - [ 0.0049475100000000, -0.0028943000000000, 0.0053389200000000 ] - [ 0.0054380300000000, -0.0028857700000000, 0.0059071000000000 ] - [ 0.0056625800000000, 0.0006357500000000, 0.0048375800000000 ] - [ 0.0047308400000000, 0.0006336000000000, 0.0063954500000000 ] - [ 0.0051972300000000, -0.0006845000000000, 0.0056829500000000 ] - [ 0.0052178100000000, -0.0006831300000000, 0.0055457400000000 ] - [ 0.0043290600000000, 0.0004876200000000, -0.0049616000000000 ] - [ 0.0060584000000000, 0.0004874100000000, -0.0062849400000000 ] - [ 0.0054264400000000, -0.0005462100000000, -0.0058968000000000 ] - [ 0.0049780100000000, -0.0005451200000000, -0.0053354600000000 ] - [ 0.0049670500000000, 0.0003963800000000, -0.0054005400000000 ] - [ 0.0054487600000000, 0.0003944500000000, -0.0058287900000000 ] - [ 0.0054300700000000, -0.0003888100000000, -0.0056985700000000 ] - [ 0.0049838700000000, -0.0003884700000000, -0.0055276100000000 ] - [ -0.0052118800000000, 0.0024857200000000, 0.0056117400000000 ] - [ -0.0057588900000000, -0.0008108800000000, 0.0050996400000000 ] - [ -0.0052038300000000, -0.0007685700000000, 0.0056167800000000 ] - [ -0.0046473900000000, -0.0008150300000000, 0.0061373300000000 ] - [ -0.0052778300000000, 0.0014231100000000, 0.0056742000000000 ] - [ -0.0068570100000000, -0.0003428200000000, 0.0070711000000000 ] - [ -0.0051941100000000, -0.0008187300000000, 0.0056210800000000 ] - [ -0.0035559200000000, -0.0003489900000000, 0.0041627100000000 ] - [ -0.0032188300000000, 0.0059007800000000, -0.0079969000000000 ] - [ -0.0023192100000000, -0.0001108800000000, -0.0081089100000000 ] - [ -0.0033163500000000, -0.0011704500000000, -0.0079427000000000 ] - [ -0.0043213400000000, -0.0001267400000000, -0.0077868000000000 ] - [ -0.0033099200000000, 0.0022125500000000, -0.0079338500000000 ] - [ -0.0028655600000000, -0.0007509900000000, -0.0066683800000000 ] - [ -0.0033168300000000, -0.0009740700000000, -0.0079527000000000 ] - [ -0.0037790500000000, -0.0007508600000000, -0.0092478000000000 ] - [ -0.0033180400000000, 0.0018457200000000, 0.0079571400000000 ] - [ -0.0040642500000000, -0.0005248000000000, 0.0079923300000000 ] - [ -0.0033174600000000, -0.0007389900000000, 0.0079499800000000 ] - [ -0.0025679500000000, -0.0005180100000000, 0.0079140200000000 ] - [ -0.0033238500000000, 0.0006547400000000, 0.0079541200000000 ] - [ -0.0033398700000000, 0.0000942200000000, 0.0079075900000000 ] - [ -0.0033225700000000, -0.0006830000000000, 0.0079557200000000 ] - [ -0.0033054900000000, 0.0000889800000000, 0.0080018500000000 ] - [ 0.0044098500000000, 0.0004616100000000, -0.0073867700000000 ] - [ 0.0022309300000000, 0.0004659200000000, -0.0085303900000000 ] - [ 0.0031506900000000, -0.0004718600000000, -0.0080312200000000 ] - [ 0.0034940300000000, -0.0004699700000000, -0.0078832000000000 ] - [ 0.0032591100000000, 0.0006854500000000, -0.0079043800000000 ] - [ 0.0033930900000000, 0.0007012700000000, -0.0079986900000000 ] - [ 0.0031929500000000, -0.0005755100000000, -0.0078740000000000 ] - [ 0.0034437200000000, -0.0005871200000000, -0.0080308900000000 ] - [ 0.0029074500000000, 0.0008170900000000, 0.0091282800000000 ] - [ 0.0037394400000000, 0.0008186300000000, 0.0067672400000000 ] - [ 0.0033439300000000, -0.0007746900000000, 0.0078947300000000 ] - [ 0.0032929000000000, -0.0007862600000000, 0.0079959100000000 ] - [ 0.0066613300000000, 0.0106789800000000, 0.0160051700000000 ] - [ -0.0002921500000000, 0.0111033600000000, -0.0004776500000000 ] - [ 0.0039120700000000, -0.0032538400000000, 0.0083405500000000 ] - [ 0.0027353300000000, -0.0032428000000000, 0.0075630300000000 ] - [ -0.0019247700000000, -0.0005619700000000, -0.0060098000000000 ] - [ -0.0018611800000000, 0.0002389500000000, -0.0057303000000000 ] - [ -0.0019093900000000, 0.0002471700000000, -0.0060032000000000 ] - [ -0.0019683600000000, 0.0002365400000000, -0.0062832600000000 ] - [ -0.0019400300000000, -0.0035519400000000, -0.0060184200000000 ] - [ -0.0019261900000000, 0.0008945500000000, -0.0061932500000000 ] - [ -0.0019216300000000, 0.0008148100000000, -0.0060067800000000 ] - [ -0.0019265200000000, 0.0009309800000000, -0.0058128800000000 ] - [ 0.0020445300000000, -0.0002311700000000, -0.0060631900000000 ] - [ 0.0018287000000000, -0.0002262500000000, -0.0059466900000000 ] - [ 0.0018770200000000, 0.0002102600000000, -0.0060506800000000 ] - [ 0.0019899400000000, 0.0002072800000000, -0.0059605100000000 ] - [ 0.0020380900000000, -0.0000975200000000, -0.0061235400000000 ] - [ 0.0018184200000000, -0.0000947100000000, -0.0058819400000000 ] - [ 0.0018404700000000, 0.0000764000000000, -0.0059430700000000 ] - [ 0.0020112100000000, 0.0000756700000000, -0.0060620100000000 ] - [ 0.0054046100000000, 0.0001610100000000, 0.0038733200000000 ] - [ -0.0015749400000000, 0.0002157000000000, 0.0082008300000000 ] - [ 0.0018567500000000, 0.0002319200000000, 0.0060030700000000 ] - [ 0.0019857800000000, 0.0002330200000000, 0.0060035600000000 ] - [ 0.0022864700000000, -0.0002920900000000, 0.0079898300000000 ] - [ 0.0015647200000000, -0.0002945100000000, 0.0040225200000000 ] - [ 0.0019522800000000, 0.0003840600000000, 0.0058392600000000 ] - [ 0.0018901500000000, 0.0003798700000000, 0.0061713800000000 ] - [ -0.0019273100000000, 0.0001237600000000, 0.0060042700000000 ] - [ -0.0016927300000000, -0.0001002300000000, 0.0059382800000000 ] - [ -0.0019311300000000, 0.0000943300000000, 0.0060031800000000 ] - [ -0.0021684400000000, -0.0001039900000000, 0.0060650300000000 ] - [ -0.0019363500000000, -0.0001647800000000, 0.0060047100000000 ] - [ -0.0015639900000000, -0.0000275200000000, 0.0059876000000000 ] - [ -0.0019319800000000, 0.0001606400000000, 0.0060066000000000 ] - [ -0.0023038000000000, -0.0000235300000000, 0.0060253500000000 ] - [ -0.0026184900000000, -0.0987421300000000, -0.0093620100000000 ] - [ -0.0041159600000000, 0.0158353600000000, -0.0106641500000000 ] - [ -0.0024186800000000, 0.0035473500000000, -0.0088500800000000 ] - [ -0.0007238700000000, 0.0156106000000000, -0.0070233800000000 ] - [ -0.0024155200000000, -0.0038267800000000, -0.0088492700000000 ] - [ -0.0018605200000000, 0.0011442700000000, -0.0088482300000000 ] - [ -0.0024122200000000, 0.0016820600000000, -0.0088462600000000 ] - [ -0.0029701700000000, 0.0011408100000000, -0.0088504600000000 ] - [ 0.0035801300000000, -0.0014988400000000, 0.0088423500000000 ] - [ 0.0012430300000000, -0.0014914500000000, 0.0088456900000000 ] - [ 0.0018002400000000, 0.0015921700000000, 0.0085914300000000 ] - [ 0.0030240300000000, 0.0015950200000000, 0.0091073400000000 ] - [ 0.0080838900000000, -0.0018724200000000, 0.0056540100000000 ] - [ -0.0032790200000000, -0.0018709500000000, 0.0120575600000000 ] - [ 0.0017495400000000, 0.0021377700000000, 0.0091185600000000 ] - [ 0.0030742600000000, 0.0021456600000000, 0.0085806200000000 ] - [ -0.0052542400000000, -0.0013248500000000, -0.0142747400000000 ] - [ 0.0100961100000000, -0.0013089600000000, -0.0034183900000000 ] - [ 0.0032108300000000, 0.0014599300000000, -0.0085295200000000 ] - [ 0.0016195200000000, 0.0014619300000000, -0.0091581900000000 ] - [ 0.0010790000000000, -0.0012946500000000, -0.0083991500000000 ] - [ 0.0037390900000000, -0.0013373200000000, -0.0092645700000000 ] - [ 0.0029101200000000, 0.0014586300000000, -0.0093175600000000 ] - [ 0.0019269500000000, 0.0014593000000000, -0.0083861700000000 ] - [ -0.0024174700000000, -0.0014434200000000, 0.0088467800000000 ] - [ -0.0023689900000000, 0.0001253700000000, 0.0089562900000000 ] - [ -0.0024136500000000, 0.0011621500000000, 0.0088491200000000 ] - [ -0.0024653700000000, 0.0001262400000000, 0.0087394900000000 ] - [ -0.0024165200000000, -0.0010175900000000, 0.0088518000000000 ] - [ -0.0031635100000000, -0.0000238000000000, 0.0081917800000000 ] - [ -0.0024176900000000, 0.0010452500000000, 0.0088423400000000 ] - [ -0.0016637800000000, -0.0000241800000000, 0.0095063300000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0052730700000000, 0.0000000000000000, -0.0064304200000000 ] - [ -0.0053819900000000, -0.0000576300000000, -0.0059752200000000 ] - [ -0.0053497700000000, 0.0000000000000000, -0.0058207000000000 ] - [ -0.0053819900000000, 0.0000576300000000, -0.0059752200000000 ] - [ -0.0052127500000000, 0.0000000000000000, -0.0043175700000000 ] - [ -0.0056007100000000, 0.0002837400000000, -0.0048193600000000 ] - [ -0.0047783100000000, 0.0000000000000000, -0.0052373500000000 ] - [ -0.0056007100000000, -0.0002837400000000, -0.0048193600000000 ] - [ 0.0148674500000000, -0.0165776700000000, 0.0228680700000000 ] - [ 0.0148674500000000, 0.0165776700000000, 0.0228680700000000 ] - [ 0.0055926500000000, -0.0005076000000000, 0.0061300200000000 ] - [ 0.0055926500000000, 0.0005076000000000, 0.0061300200000000 ] - [ 0.0045719200000000, -0.0003586900000000, 0.0038412000000000 ] - [ 0.0045719200000000, 0.0003586900000000, 0.0038412000000000 ] - [ 0.0050992800000000, -0.0000024900000000, 0.0053369000000000 ] - [ 0.0050992800000000, 0.0000024900000000, 0.0053369000000000 ] - [ 0.0051886400000000, 0.0002915500000000, -0.0050720700000000 ] - [ 0.0051886400000000, -0.0002915500000000, -0.0050720700000000 ] - [ 0.0051661600000000, -0.0001487200000000, -0.0055397900000000 ] - [ 0.0051661600000000, 0.0001487200000000, -0.0055397900000000 ] - [ 0.0054577300000000, -0.0001108500000000, -0.0060857600000000 ] - [ 0.0054577300000000, 0.0001108500000000, -0.0060857600000000 ] - [ 0.0054228700000000, 0.0002344600000000, -0.0057439600000000 ] - [ 0.0054228700000000, -0.0002344600000000, -0.0057439600000000 ] - [ -0.0055037700000000, 0.0000000000000000, 0.0043280100000000 ] - [ -0.0052870900000000, -0.0005476700000000, 0.0048638600000000 ] - [ -0.0051815200000000, 0.0000000000000000, 0.0054895100000000 ] - [ -0.0052870900000000, 0.0005476700000000, 0.0048638600000000 ] - [ -0.0212623100000000, 0.0000000000000000, 0.0177974700000000 ] - [ -0.0055819200000000, 0.0008886300000000, 0.0066507800000000 ] - [ -0.0053436800000000, 0.0000000000000000, 0.0057457300000000 ] - [ -0.0055819200000000, -0.0008886300000000, 0.0066507800000000 ] - [ -0.0105032300000000, 0.0000000000000000, 0.0039514700000000 ] - [ -0.0024635000000000, -0.0007342200000000, -0.0064880700000000 ] - [ -0.0032485600000000, 0.0000000000000000, -0.0077543300000000 ] - [ -0.0024635000000000, 0.0007342200000000, -0.0064880700000000 ] - [ -0.0036590500000000, 0.0000000000000000, -0.0093975400000000 ] - [ -0.0034547600000000, 0.0002848900000000, -0.0088627600000000 ] - [ -0.0032322200000000, 0.0000000000000000, -0.0079495200000000 ] - [ -0.0034547600000000, -0.0002848900000000, -0.0088627600000000 ] - [ -0.0041336300000000, 0.0000000000000000, 0.0087767800000000 ] - [ -0.0040004800000000, -0.0005714600000000, 0.0081362200000000 ] - [ -0.0033958300000000, 0.0000000000000000, 0.0080232000000000 ] - [ -0.0040004800000000, 0.0005714600000000, 0.0081362200000000 ] - [ -0.0026555600000000, 0.0000000000000000, 0.0069113800000000 ] - [ -0.0029412500000000, 0.0008350000000000, 0.0073775400000000 ] - [ -0.0032814200000000, 0.0000000000000000, 0.0079553800000000 ] - [ -0.0029412500000000, -0.0008350000000000, 0.0073775400000000 ] - [ 0.0026213900000000, 0.0000117800000000, -0.0084351900000000 ] - [ 0.0026213900000000, -0.0000117800000000, -0.0084351900000000 ] - [ 0.0032720800000000, -0.0000332700000000, -0.0081680000000000 ] - [ 0.0032720800000000, 0.0000332700000000, -0.0081680000000000 ] - [ 0.0046492000000000, -0.0011852500000000, -0.0082425900000000 ] - [ 0.0046492000000000, 0.0011852500000000, -0.0082425900000000 ] - [ 0.0032942700000000, 0.0002336700000000, -0.0079085000000000 ] - [ 0.0032942700000000, -0.0002336700000000, -0.0079085000000000 ] - [ 0.0032776800000000, 0.0002226400000000, 0.0066114400000000 ] - [ 0.0032776800000000, -0.0002226400000000, 0.0066114400000000 ] - [ 0.0033541800000000, 0.0000151800000000, 0.0077367000000000 ] - [ 0.0033541800000000, -0.0000151800000000, 0.0077367000000000 ] - [ 0.0080631200000000, 0.0062934000000000, 0.0189446100000000 ] - [ 0.0080631200000000, -0.0062934000000000, 0.0189446100000000 ] - [ 0.0038120400000000, 0.0001628100000000, 0.0090085800000000 ] - [ 0.0038120400000000, -0.0001628100000000, 0.0090085800000000 ] - [ -0.0023934700000000, 0.0000000000000000, -0.0047723700000000 ] - [ -0.0021249900000000, 0.0003975200000000, -0.0059940700000000 ] - [ -0.0019548100000000, 0.0000000000000000, -0.0059956300000000 ] - [ -0.0021249900000000, -0.0003975200000000, -0.0059940700000000 ] - [ -0.0001828400000000, 0.0000000000000000, -0.0034301500000000 ] - [ -0.0014024100000000, -0.0011803500000000, -0.0050609400000000 ] - [ -0.0020223700000000, 0.0000000000000000, -0.0059590500000000 ] - [ -0.0014024100000000, 0.0011803500000000, -0.0050609400000000 ] - [ 0.0019036300000000, 0.0001299600000000, -0.0063718600000000 ] - [ 0.0019036300000000, -0.0001299600000000, -0.0063718600000000 ] - [ 0.0019536600000000, 0.0000507400000000, -0.0061474100000000 ] - [ 0.0019536600000000, -0.0000507400000000, -0.0061474100000000 ] - [ 0.0019699700000000, 0.0000506300000000, -0.0058551000000000 ] - [ 0.0019699700000000, -0.0000506300000000, -0.0058551000000000 ] - [ 0.0018448300000000, -0.0000893900000000, -0.0058562300000000 ] - [ 0.0018448300000000, 0.0000893900000000, -0.0058562300000000 ] - [ 0.0000045200000000, -0.0023358100000000, 0.0092287100000000 ] - [ 0.0000045200000000, 0.0023358100000000, 0.0092287100000000 ] - [ 0.0019407200000000, 0.0002211400000000, 0.0061868300000000 ] - [ 0.0019407200000000, -0.0002211400000000, 0.0061868300000000 ] - [ 0.0023064000000000, 0.0004829500000000, 0.0070811700000000 ] - [ 0.0023064000000000, -0.0004829500000000, 0.0070811700000000 ] - [ 0.0018116300000000, -0.0001950700000000, 0.0059394900000000 ] - [ 0.0018116300000000, 0.0001950700000000, 0.0059394900000000 ] - [ -0.0017159200000000, 0.0000000000000000, 0.0061821600000000 ] - [ -0.0018698800000000, -0.0000864800000000, 0.0060645500000000 ] - [ -0.0019027800000000, 0.0000000000000000, 0.0060198500000000 ] - [ -0.0018698800000000, 0.0000864800000000, 0.0060645500000000 ] - [ -0.0040173500000000, 0.0000000000000000, 0.0045339900000000 ] - [ -0.0018187500000000, -0.0000352100000000, 0.0057377400000000 ] - [ -0.0019050600000000, 0.0000000000000000, 0.0058764100000000 ] - [ -0.0018187500000000, 0.0000352100000000, 0.0057377400000000 ] - [ -0.0035609500000000, 0.0000000000000000, -0.0913285000000000 ] - [ -0.0068608400000000, 0.0018102700000000, -0.0175809900000000 ] - [ -0.0028478000000000, 0.0000000000000000, -0.0099596800000000 ] - [ -0.0068608400000000, -0.0018102700000000, -0.0175809900000000 ] - [ -0.0023193200000000, 0.0000000000000000, -0.0053418400000000 ] - [ -0.0023283400000000, -0.0000059900000000, -0.0068919600000000 ] - [ -0.0023947900000000, 0.0000000000000000, -0.0084318300000000 ] - [ -0.0023283400000000, 0.0000059900000000, -0.0068919600000000 ] - [ 0.0023411800000000, -0.0000025200000000, 0.0110723900000000 ] - [ 0.0023411800000000, 0.0000025200000000, 0.0110723900000000 ] - [ 0.0024864200000000, -0.0002565700000000, 0.0095608900000000 ] - [ 0.0024864200000000, 0.0002565700000000, 0.0095608900000000 ] - [ 0.0030259700000000, -0.0031961500000000, 0.0010827000000000 ] - [ 0.0030259700000000, 0.0031961500000000, 0.0010827000000000 ] - [ 0.0019541500000000, 0.0002701800000000, 0.0074284800000000 ] - [ 0.0019541500000000, -0.0002701800000000, 0.0074284800000000 ] - [ 0.0083440500000000, -0.0004345300000000, -0.0049111500000000 ] - [ 0.0083440500000000, 0.0004345300000000, -0.0049111500000000 ] - [ 0.0028095800000000, 0.0004586200000000, -0.0086897900000000 ] - [ 0.0028095800000000, -0.0004586200000000, -0.0086897900000000 ] - [ -0.0001237000000000, 0.0054152700000000, -0.0049203600000000 ] - [ -0.0001237000000000, -0.0054152700000000, -0.0049203600000000 ] - [ 0.0024842800000000, -0.0003130600000000, -0.0086928600000000 ] - [ 0.0024842800000000, 0.0003130600000000, -0.0086928600000000 ] - [ -0.0028381100000000, 0.0000000000000000, 0.0088896000000000 ] - [ -0.0023462100000000, 0.0001113400000000, 0.0090835000000000 ] - [ -0.0024239600000000, 0.0000000000000000, 0.0090641600000000 ] - [ -0.0023462100000000, -0.0001113400000000, 0.0090835000000000 ] - [ -0.0025165500000000, 0.0000000000000000, 0.0098132100000000 ] - [ -0.0025211000000000, -0.0006561300000000, 0.0094010400000000 ] - [ -0.0025567200000000, 0.0000000000000000, 0.0086493500000000 ] - [ -0.0025211000000000, 0.0006561300000000, 0.0094010400000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0051940600000000, 0.0000000000000000, -0.0047613900000000 ] - [ -0.0050827400000000, 0.0000597800000000, -0.0052149600000000 ] - [ -0.0051153700000000, 0.0000000000000000, -0.0053661300000000 ] - [ -0.0050827400000000, -0.0000597800000000, -0.0052149600000000 ] - [ -0.0052288700000000, 0.0000000000000000, -0.0068772800000000 ] - [ -0.0048616000000000, -0.0002856400000000, -0.0063796600000000 ] - [ -0.0056757800000000, 0.0000000000000000, -0.0059599200000000 ] - [ -0.0048616000000000, 0.0002856400000000, -0.0063796600000000 ] - [ -0.0041376700000000, 0.0160240100000000, -0.0114333000000000 ] - [ -0.0041376700000000, -0.0160240100000000, -0.0114333000000000 ] - [ 0.0048438500000000, 0.0005053300000000, 0.0050642400000000 ] - [ 0.0048438500000000, -0.0005053300000000, 0.0050642400000000 ] - [ 0.0058820600000000, 0.0003606300000000, 0.0073525900000000 ] - [ 0.0058820600000000, -0.0003606300000000, 0.0073525900000000 ] - [ 0.0053738200000000, 0.0000018200000000, 0.0058571700000000 ] - [ 0.0053738200000000, -0.0000018200000000, 0.0058571700000000 ] - [ 0.0052604700000000, -0.0002937100000000, -0.0061246700000000 ] - [ 0.0052604700000000, 0.0002937100000000, -0.0061246700000000 ] - [ 0.0052765000000000, 0.0001458900000000, -0.0056609000000000 ] - [ 0.0052765000000000, -0.0001458900000000, -0.0056609000000000 ] - [ 0.0049931600000000, 0.0001124100000000, -0.0051109000000000 ] - [ 0.0049931600000000, -0.0001124100000000, -0.0051109000000000 ] - [ 0.0050628000000000, -0.0002340000000000, -0.0054391900000000 ] - [ 0.0050628000000000, 0.0002340000000000, -0.0054391900000000 ] - [ -0.0049658300000000, 0.0000000000000000, 0.0068711200000000 ] - [ -0.0051860800000000, 0.0005490600000000, 0.0063271200000000 ] - [ -0.0052871700000000, 0.0000000000000000, 0.0056999300000000 ] - [ -0.0051860800000000, -0.0005490600000000, 0.0063271200000000 ] - [ 0.0113707200000000, 0.0000000000000000, -0.0068199100000000 ] - [ -0.0048727700000000, -0.0008928500000000, 0.0045508000000000 ] - [ -0.0051314200000000, 0.0000000000000000, 0.0054417700000000 ] - [ -0.0048727700000000, 0.0008928500000000, 0.0045508000000000 ] - [ 0.0035530900000000, 0.0000000000000000, -0.0197433200000000 ] - [ -0.0041872600000000, 0.0007466700000000, -0.0094758000000000 ] - [ -0.0033888500000000, 0.0000000000000000, -0.0082072400000000 ] - [ -0.0041872600000000, -0.0007466700000000, -0.0094758000000000 ] - [ -0.0029871500000000, 0.0000000000000000, -0.0065575400000000 ] - [ -0.0032026800000000, -0.0002957300000000, -0.0070955200000000 ] - [ -0.0034301100000000, 0.0000000000000000, -0.0080105300000000 ] - [ -0.0032026800000000, 0.0002957300000000, -0.0070955200000000 ] - [ -0.0025221600000000, 0.0000000000000000, 0.0071593600000000 ] - [ -0.0026395800000000, 0.0005814800000000, 0.0078132200000000 ] - [ -0.0032376500000000, 0.0000000000000000, 0.0079419200000000 ] - [ -0.0026395800000000, -0.0005814800000000, 0.0078132200000000 ] - [ -0.0039959900000000, 0.0000000000000000, 0.0090482800000000 ] - [ -0.0037250300000000, -0.0008584000000000, 0.0086003300000000 ] - [ -0.0033923000000000, 0.0000000000000000, 0.0080242800000000 ] - [ -0.0037250300000000, 0.0008584000000000, 0.0086003300000000 ] - [ 0.0040481100000000, -0.0000091400000000, -0.0075250900000000 ] - [ 0.0040481100000000, 0.0000091400000000, -0.0075250900000000 ] - [ 0.0033944500000000, 0.0000378700000000, -0.0078226300000000 ] - [ 0.0033944500000000, -0.0000378700000000, -0.0078226300000000 ] - [ 0.0019970200000000, 0.0011912300000000, -0.0077045200000000 ] - [ 0.0019970200000000, -0.0011912300000000, -0.0077045200000000 ] - [ 0.0033693300000000, -0.0002436700000000, -0.0080388100000000 ] - [ 0.0033693300000000, 0.0002436700000000, -0.0080388100000000 ] - [ 0.0033777100000000, -0.0002316300000000, 0.0093904300000000 ] - [ 0.0033777100000000, 0.0002316300000000, 0.0093904300000000 ] - [ 0.0033074300000000, -0.0000185200000000, 0.0082174500000000 ] - [ 0.0033074300000000, 0.0000185200000000, 0.0082174500000000 ] - [ -0.0016012400000000, -0.0065491400000000, -0.0031526400000000 ] - [ -0.0016012400000000, 0.0065491400000000, -0.0031526400000000 ] - [ 0.0028399800000000, -0.0001623700000000, 0.0069626500000000 ] - [ 0.0028399800000000, 0.0001623700000000, 0.0069626500000000 ] - [ -0.0014542000000000, 0.0000000000000000, -0.0071762900000000 ] - [ -0.0016970400000000, -0.0003931500000000, -0.0059565000000000 ] - [ -0.0018662900000000, 0.0000000000000000, -0.0059613800000000 ] - [ -0.0016970400000000, 0.0003931500000000, -0.0059565000000000 ] - [ -0.0037355300000000, 0.0000000000000000, -0.0085971500000000 ] - [ -0.0024450600000000, 0.0011619300000000, -0.0068864000000000 ] - [ -0.0018109100000000, 0.0000000000000000, -0.0059908500000000 ] - [ -0.0024450600000000, -0.0011619300000000, -0.0068864000000000 ] - [ 0.0019339600000000, -0.0001312900000000, -0.0055940900000000 ] - [ 0.0019339600000000, 0.0001312900000000, -0.0055940900000000 ] - [ 0.0018981000000000, -0.0000569400000000, -0.0058065400000000 ] - [ 0.0018981000000000, 0.0000569400000000, -0.0058065400000000 ] - [ 0.0018766000000000, -0.0000436300000000, -0.0060957700000000 ] - [ 0.0018766000000000, 0.0000436300000000, -0.0060957700000000 ] - [ 0.0019994900000000, 0.0001009800000000, -0.0060877900000000 ] - [ 0.0019994900000000, -0.0001009800000000, -0.0060877900000000 ] - [ 0.0037833100000000, 0.0022316900000000, 0.0027816900000000 ] - [ 0.0037833100000000, -0.0022316900000000, 0.0027816900000000 ] - [ 0.0018930400000000, -0.0002245400000000, 0.0057579500000000 ] - [ 0.0018930400000000, 0.0002245400000000, 0.0057579500000000 ] - [ 0.0015116400000000, -0.0004838500000000, 0.0048764600000000 ] - [ 0.0015116400000000, 0.0004838500000000, 0.0048764600000000 ] - [ 0.0020228500000000, 0.0001966100000000, 0.0060166700000000 ] - [ 0.0020228500000000, -0.0001966100000000, 0.0060166700000000 ] - [ -0.0021055900000000, 0.0000000000000000, 0.0057778600000000 ] - [ -0.0019860400000000, 0.0000715400000000, 0.0058797100000000 ] - [ -0.0019278200000000, 0.0000000000000000, 0.0059171100000000 ] - [ -0.0019860400000000, -0.0000715400000000, 0.0058797100000000 ] - [ 0.0001700200000000, 0.0000000000000000, 0.0074255200000000 ] - [ -0.0020235700000000, 0.0000401800000000, 0.0062256600000000 ] - [ -0.0019202300000000, 0.0000000000000000, 0.0060866800000000 ] - [ -0.0020235700000000, -0.0000401800000000, 0.0062256600000000 ] - [ -0.0015839500000000, 0.0000000000000000, 0.0733809300000000 ] - [ 0.0020103300000000, -0.0018300900000000, -0.0000900800000000 ] - [ -0.0020267300000000, 0.0000000000000000, -0.0077359300000000 ] - [ 0.0020103300000000, 0.0018300900000000, -0.0000900800000000 ] - [ -0.0025511200000000, 0.0000000000000000, -0.0123496300000000 ] - [ -0.0025358500000000, -0.0000032900000000, -0.0108048900000000 ] - [ -0.0024653100000000, 0.0000000000000000, -0.0092621700000000 ] - [ -0.0025358500000000, 0.0000032900000000, -0.0108048900000000 ] - [ 0.0025329300000000, 0.0000015600000000, 0.0066211300000000 ] - [ 0.0025329300000000, -0.0000015600000000, 0.0066211300000000 ] - [ 0.0023714000000000, 0.0002538000000000, 0.0081380100000000 ] - [ 0.0023714000000000, -0.0002538000000000, 0.0081380100000000 ] - [ 0.0018460000000000, 0.0032086600000000, 0.0166156000000000 ] - [ 0.0018460000000000, -0.0032086600000000, 0.0166156000000000 ] - [ 0.0029116200000000, -0.0002653800000000, 0.0102646700000000 ] - [ 0.0029116200000000, 0.0002653800000000, 0.0102646700000000 ] - [ -0.0034965300000000, 0.0004303000000000, -0.0127921200000000 ] - [ -0.0034965300000000, -0.0004303000000000, -0.0127921200000000 ] - [ 0.0020533300000000, -0.0004649000000000, -0.0090088400000000 ] - [ 0.0020533300000000, 0.0004649000000000, -0.0090088400000000 ] - [ 0.0049964400000000, -0.0054389000000000, -0.0127963600000000 ] - [ 0.0049964400000000, 0.0054389000000000, -0.0127963600000000 ] - [ 0.0023772300000000, 0.0003140800000000, -0.0090070600000000 ] - [ 0.0023772300000000, -0.0003140800000000, -0.0090070600000000 ] - [ -0.0020257400000000, 0.0000000000000000, 0.0088060000000000 ] - [ -0.0025223600000000, -0.0001109600000000, 0.0086045600000000 ] - [ -0.0024399500000000, 0.0000000000000000, 0.0086301800000000 ] - [ -0.0025223600000000, 0.0001109600000000, 0.0086045600000000 ] - [ -0.0023374500000000, 0.0000000000000000, 0.0078789700000000 ] - [ -0.0023383200000000, 0.0006558400000000, 0.0083041100000000 ] - [ -0.0022974200000000, 0.0000000000000000, 0.0090523000000000 ] - [ -0.0023383200000000, -0.0006558400000000, 0.0083041100000000 ]