# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/06f090fd-2c1c-47ac-b8b0-3f728d454c1c/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 Al2CdCl8 / Pc (7) / materials id 28361](https://mdr.nims.go.jp/datasets/9127d13b-3b3a-4be0-baaa-3f0be017bba5) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Pc" number: 7 Hall_symbol: "P -2yc"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 7.021503070000000, -0.000000080000000, 0.000924420000000 ] # a - [ -0.000000100000000, 6.836052770000000, 0.000000070000000 ] # b - [ -0.524815810000000, 0.000000110000000, 12.878435809999999 ] # c points: - symbol: Al # 1 coordinates: [ 0.561932030000000, 0.080816750000000, 0.541486880000000 ] mass: 26.981539 - symbol: Al # 2 coordinates: [ 0.148248260000000, 0.566393160000000, 0.241988420000000 ] mass: 26.981539 - symbol: Al # 3 coordinates: [ 0.148248240000000, 0.433606840000000, 0.741988420000000 ] mass: 26.981539 - symbol: Al # 4 coordinates: [ 0.561932040000000, 0.919183250000000, 0.041486880000000 ] mass: 26.981539 - symbol: Cl # 5 coordinates: [ 0.529229290000000, 0.070908920000000, 0.180423740000000 ] mass: 35.453000 - symbol: Cl # 6 coordinates: [ 0.529229280000000, 0.929091070000000, 0.680423740000000 ] mass: 35.453000 - symbol: Cl # 7 coordinates: [ 0.657327030000000, 0.381433980000000, 0.560728070000000 ] mass: 35.453000 - symbol: Cl # 8 coordinates: [ 0.657327030000000, 0.618566020000000, 0.060728080000000 ] mass: 35.453000 - symbol: Cl # 9 coordinates: [ 0.303000740000000, 0.075556490000000, 0.441121500000000 ] mass: 35.453000 - symbol: Cl # 10 coordinates: [ 0.303000750000000, 0.924443510000000, 0.941121500000000 ] mass: 35.453000 - symbol: Cl # 11 coordinates: [ 0.162280520000000, 0.569476950000000, 0.588499620000000 ] mass: 35.453000 - symbol: Cl # 12 coordinates: [ 0.162280550000000, 0.430523060000000, 0.088499630000000 ] mass: 35.453000 - symbol: Cl # 13 coordinates: [ 0.790185980000000, 0.956428590000000, 0.451650020000000 ] mass: 35.453000 - symbol: Cl # 14 coordinates: [ 0.790186000000000, 0.043571420000000, 0.951650030000000 ] mass: 35.453000 - symbol: Cl # 15 coordinates: [ 0.048912640000000, 0.858687650000000, 0.200501120000000 ] mass: 35.453000 - symbol: Cl # 16 coordinates: [ 0.048912640000000, 0.141312330000000, 0.700501120000000 ] mass: 35.453000 - symbol: Cl # 17 coordinates: [ 0.405714740000000, 0.565385520000000, 0.328916690000000 ] mass: 35.453000 - symbol: Cl # 18 coordinates: [ 0.405714730000000, 0.434614500000000, 0.828916690000000 ] mass: 35.453000 - symbol: Cl # 19 coordinates: [ 0.920842290000000, 0.417486510000000, 0.320911520000000 ] mass: 35.453000 - symbol: Cl # 20 coordinates: [ 0.920842280000000, 0.582513470000000, 0.820911530000000 ] mass: 35.453000 - symbol: Cd # 21 coordinates: [ 0.003726500000000, 0.261991260000000, 0.502772430000000 ] mass: 112.411000 - symbol: Cd # 22 coordinates: [ 0.003726500000000, 0.738008730000000, 0.002772430000000 ] mass: 112.411000 reciprocal_lattice: # without 2pi - [ 0.142418884517326, 0.000000002023920, 0.005803785750069 ] # a* - [ 0.000000001666844, 0.146283247605767, -0.000000001181539 ] # b* - [ -0.000010222892529, -0.000000000795259, 0.077648764929037 ] # c*unit_cell: lattice: - [ 7.021503070000000, -0.000000080000000, 0.000924420000000 ] # a - [ -0.000000100000000, 6.836052770000000, 0.000000070000000 ] # b - [ -0.524815810000000, 0.000000110000000, 12.878435809999999 ] # c points: - symbol: Al # 1 coordinates: [ 0.561932030000000, 0.080816750000000, 0.541486880000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 2 coordinates: [ 0.148248260000000, 0.566393160000000, 0.241988420000000 ] mass: 26.981539 reduced_to: 2 - symbol: Al # 3 coordinates: [ 0.148248240000000, 0.433606840000000, 0.741988420000000 ] mass: 26.981539 reduced_to: 3 - symbol: Al # 4 coordinates: [ 0.561932040000000, 0.919183250000000, 0.041486880000000 ] mass: 26.981539 reduced_to: 4 - symbol: Cl # 5 coordinates: [ 0.529229290000000, 0.070908920000000, 0.180423740000000 ] mass: 35.453000 reduced_to: 5 - symbol: Cl # 6 coordinates: [ 0.529229280000000, 0.929091070000000, 0.680423740000000 ] mass: 35.453000 reduced_to: 6 - symbol: Cl # 7 coordinates: [ 0.657327030000000, 0.381433980000000, 0.560728070000000 ] mass: 35.453000 reduced_to: 7 - symbol: Cl # 8 coordinates: [ 0.657327030000000, 0.618566020000000, 0.060728080000000 ] mass: 35.453000 reduced_to: 8 - symbol: Cl # 9 coordinates: [ 0.303000740000000, 0.075556490000000, 0.441121500000000 ] mass: 35.453000 reduced_to: 9 - symbol: Cl # 10 coordinates: [ 0.303000750000000, 0.924443510000000, 0.941121500000000 ] mass: 35.453000 reduced_to: 10 - symbol: Cl # 11 coordinates: [ 0.162280520000000, 0.569476950000000, 0.588499620000000 ] mass: 35.453000 reduced_to: 11 - symbol: Cl # 12 coordinates: [ 0.162280550000000, 0.430523060000000, 0.088499630000000 ] mass: 35.453000 reduced_to: 12 - symbol: Cl # 13 coordinates: [ 0.790185980000000, 0.956428590000000, 0.451650020000000 ] mass: 35.453000 reduced_to: 13 - symbol: Cl # 14 coordinates: [ 0.790186000000000, 0.043571420000000, 0.951650030000000 ] mass: 35.453000 reduced_to: 14 - symbol: Cl # 15 coordinates: [ 0.048912640000000, 0.858687650000000, 0.200501120000000 ] mass: 35.453000 reduced_to: 15 - symbol: Cl # 16 coordinates: [ 0.048912640000000, 0.141312330000000, 0.700501120000000 ] mass: 35.453000 reduced_to: 16 - symbol: Cl # 17 coordinates: [ 0.405714740000000, 0.565385520000000, 0.328916690000000 ] mass: 35.453000 reduced_to: 17 - symbol: Cl # 18 coordinates: [ 0.405714730000000, 0.434614500000000, 0.828916690000000 ] mass: 35.453000 reduced_to: 18 - symbol: Cl # 19 coordinates: [ 0.920842290000000, 0.417486510000000, 0.320911520000000 ] mass: 35.453000 reduced_to: 19 - symbol: Cl # 20 coordinates: [ 0.920842280000000, 0.582513470000000, 0.820911530000000 ] mass: 35.453000 reduced_to: 20 - symbol: Cd # 21 coordinates: [ 0.003726500000000, 0.261991260000000, 0.502772430000000 ] mass: 112.411000 reduced_to: 21 - symbol: Cd # 22 coordinates: [ 0.003726500000000, 0.738008730000000, 0.002772430000000 ] mass: 112.411000 reduced_to: 22supercell: lattice: - [ 14.043006139999999, -0.000000160000000, 0.001848840000000 ] # a - [ -0.000000200000000, 13.672105540000000, 0.000000140000000 ] # b - [ -0.524815810000000, 0.000000110000000, 12.878435809999999 ] # c points: - symbol: Al # 1 coordinates: [ 0.280966015000000, 0.040408375000000, 0.541486880000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 2 coordinates: [ 0.780966015000000, 0.040408375000000, 0.541486880000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 3 coordinates: [ 0.280966015000000, 0.540408375000000, 0.541486880000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 4 coordinates: [ 0.780966015000000, 0.540408375000000, 0.541486880000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 5 coordinates: [ 0.074124130000000, 0.283196580000000, 0.241988420000000 ] mass: 26.981539 reduced_to: 5 - symbol: Al # 6 coordinates: [ 0.574124130000000, 0.283196580000000, 0.241988420000000 ] mass: 26.981539 reduced_to: 5 - symbol: Al # 7 coordinates: [ 0.074124130000000, 0.783196580000000, 0.241988420000000 ] mass: 26.981539 reduced_to: 5 - symbol: Al # 8 coordinates: [ 0.574124130000000, 0.783196580000000, 0.241988420000000 ] mass: 26.981539 reduced_to: 5 - symbol: Al # 9 coordinates: [ 0.074124120000000, 0.216803420000000, 0.741988420000000 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 10 coordinates: [ 0.574124120000000, 0.216803420000000, 0.741988420000000 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 11 coordinates: [ 0.074124120000000, 0.716803420000000, 0.741988420000000 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 12 coordinates: [ 0.574124120000000, 0.716803420000000, 0.741988420000000 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 13 coordinates: [ 0.280966020000000, 0.459591625000000, 0.041486880000000 ] mass: 26.981539 reduced_to: 13 - symbol: Al # 14 coordinates: [ 0.780966020000000, 0.459591625000000, 0.041486880000000 ] mass: 26.981539 reduced_to: 13 - symbol: Al # 15 coordinates: [ 0.280966020000000, 0.959591625000000, 0.041486880000000 ] mass: 26.981539 reduced_to: 13 - symbol: Al # 16 coordinates: [ 0.780966020000000, 0.959591625000000, 0.041486880000000 ] mass: 26.981539 reduced_to: 13 - symbol: Cl # 17 coordinates: [ 0.264614645000000, 0.035454460000000, 0.180423740000000 ] mass: 35.453000 reduced_to: 17 - symbol: Cl # 18 coordinates: [ 0.764614645000000, 0.035454460000000, 0.180423740000000 ] mass: 35.453000 reduced_to: 17 - symbol: Cl # 19 coordinates: [ 0.264614645000000, 0.535454460000000, 0.180423740000000 ] mass: 35.453000 reduced_to: 17 - symbol: Cl # 20 coordinates: [ 0.764614645000000, 0.535454460000000, 0.180423740000000 ] mass: 35.453000 reduced_to: 17 - symbol: Cl # 21 coordinates: [ 0.264614640000000, 0.464545535000000, 0.680423740000000 ] mass: 35.453000 reduced_to: 21 - symbol: Cl # 22 coordinates: [ 0.764614640000000, 0.464545535000000, 0.680423740000000 ] mass: 35.453000 reduced_to: 21 - symbol: Cl # 23 coordinates: [ 0.264614640000000, 0.964545535000000, 0.680423740000000 ] mass: 35.453000 reduced_to: 21 - symbol: Cl # 24 coordinates: [ 0.764614640000000, 0.964545535000000, 0.680423740000000 ] mass: 35.453000 reduced_to: 21 - symbol: Cl # 25 coordinates: [ 0.328663515000000, 0.190716990000000, 0.560728070000000 ] mass: 35.453000 reduced_to: 25 - symbol: Cl # 26 coordinates: [ 0.828663515000000, 0.190716990000000, 0.560728070000000 ] mass: 35.453000 reduced_to: 25 - symbol: Cl # 27 coordinates: [ 0.328663515000000, 0.690716990000000, 0.560728070000000 ] mass: 35.453000 reduced_to: 25 - symbol: Cl # 28 coordinates: [ 0.828663515000000, 0.690716990000000, 0.560728070000000 ] mass: 35.453000 reduced_to: 25 - symbol: Cl # 29 coordinates: [ 0.328663515000000, 0.309283010000000, 0.060728080000000 ] mass: 35.453000 reduced_to: 29 - symbol: Cl # 30 coordinates: [ 0.828663515000000, 0.309283010000000, 0.060728080000000 ] mass: 35.453000 reduced_to: 29 - symbol: Cl # 31 coordinates: [ 0.328663515000000, 0.809283010000000, 0.060728080000000 ] mass: 35.453000 reduced_to: 29 - symbol: Cl # 32 coordinates: [ 0.828663515000000, 0.809283010000000, 0.060728080000000 ] mass: 35.453000 reduced_to: 29 - symbol: Cl # 33 coordinates: [ 0.151500370000000, 0.037778245000000, 0.441121500000000 ] mass: 35.453000 reduced_to: 33 - symbol: Cl # 34 coordinates: [ 0.651500370000000, 0.037778245000000, 0.441121500000000 ] mass: 35.453000 reduced_to: 33 - symbol: Cl # 35 coordinates: [ 0.151500370000000, 0.537778245000000, 0.441121500000000 ] mass: 35.453000 reduced_to: 33 - symbol: Cl # 36 coordinates: [ 0.651500370000000, 0.537778245000000, 0.441121500000000 ] mass: 35.453000 reduced_to: 33 - symbol: Cl # 37 coordinates: [ 0.151500375000000, 0.462221755000000, 0.941121500000000 ] mass: 35.453000 reduced_to: 37 - symbol: Cl # 38 coordinates: [ 0.651500375000000, 0.462221755000000, 0.941121500000000 ] mass: 35.453000 reduced_to: 37 - symbol: Cl # 39 coordinates: [ 0.151500375000000, 0.962221755000000, 0.941121500000000 ] mass: 35.453000 reduced_to: 37 - symbol: Cl # 40 coordinates: [ 0.651500375000000, 0.962221755000000, 0.941121500000000 ] mass: 35.453000 reduced_to: 37 - symbol: Cl # 41 coordinates: [ 0.081140260000000, 0.284738475000000, 0.588499620000000 ] mass: 35.453000 reduced_to: 41 - symbol: Cl # 42 coordinates: [ 0.581140260000000, 0.284738475000000, 0.588499620000000 ] mass: 35.453000 reduced_to: 41 - symbol: Cl # 43 coordinates: [ 0.081140260000000, 0.784738475000000, 0.588499620000000 ] mass: 35.453000 reduced_to: 41 - symbol: Cl # 44 coordinates: [ 0.581140260000000, 0.784738475000000, 0.588499620000000 ] mass: 35.453000 reduced_to: 41 - symbol: Cl # 45 coordinates: [ 0.081140275000000, 0.215261530000000, 0.088499630000000 ] mass: 35.453000 reduced_to: 45 - symbol: Cl # 46 coordinates: [ 0.581140275000000, 0.215261530000000, 0.088499630000000 ] mass: 35.453000 reduced_to: 45 - symbol: Cl # 47 coordinates: [ 0.081140275000000, 0.715261530000000, 0.088499630000000 ] mass: 35.453000 reduced_to: 45 - symbol: Cl # 48 coordinates: [ 0.581140275000000, 0.715261530000000, 0.088499630000000 ] mass: 35.453000 reduced_to: 45 - symbol: Cl # 49 coordinates: [ 0.395092990000000, 0.478214295000000, 0.451650020000000 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 50 coordinates: [ 0.895092990000000, 0.478214295000000, 0.451650020000000 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 51 coordinates: [ 0.395092990000000, 0.978214295000000, 0.451650020000000 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 52 coordinates: [ 0.895092990000000, 0.978214295000000, 0.451650020000000 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 53 coordinates: [ 0.395093000000000, 0.021785710000000, 0.951650030000000 ] mass: 35.453000 reduced_to: 53 - symbol: Cl # 54 coordinates: [ 0.895093000000000, 0.021785710000000, 0.951650030000000 ] mass: 35.453000 reduced_to: 53 - symbol: Cl # 55 coordinates: [ 0.395093000000000, 0.521785710000000, 0.951650030000000 ] mass: 35.453000 reduced_to: 53 - symbol: Cl # 56 coordinates: [ 0.895093000000000, 0.521785710000000, 0.951650030000000 ] mass: 35.453000 reduced_to: 53 - symbol: Cl # 57 coordinates: [ 0.024456320000000, 0.429343825000000, 0.200501120000000 ] mass: 35.453000 reduced_to: 57 - symbol: Cl # 58 coordinates: [ 0.524456320000000, 0.429343825000000, 0.200501120000000 ] mass: 35.453000 reduced_to: 57 - symbol: Cl # 59 coordinates: [ 0.024456320000000, 0.929343825000000, 0.200501120000000 ] mass: 35.453000 reduced_to: 57 - symbol: Cl # 60 coordinates: [ 0.524456320000000, 0.929343825000000, 0.200501120000000 ] mass: 35.453000 reduced_to: 57 - symbol: Cl # 61 coordinates: [ 0.024456320000000, 0.070656165000000, 0.700501120000000 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 62 coordinates: [ 0.524456320000000, 0.070656165000000, 0.700501120000000 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 63 coordinates: [ 0.024456320000000, 0.570656165000000, 0.700501120000000 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 64 coordinates: [ 0.524456320000000, 0.570656165000000, 0.700501120000000 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 65 coordinates: [ 0.202857370000000, 0.282692760000000, 0.328916690000000 ] mass: 35.453000 reduced_to: 65 - symbol: Cl # 66 coordinates: [ 0.702857370000000, 0.282692760000000, 0.328916690000000 ] mass: 35.453000 reduced_to: 65 - symbol: Cl # 67 coordinates: [ 0.202857370000000, 0.782692760000000, 0.328916690000000 ] mass: 35.453000 reduced_to: 65 - symbol: Cl # 68 coordinates: [ 0.702857370000000, 0.782692760000000, 0.328916690000000 ] mass: 35.453000 reduced_to: 65 - symbol: Cl # 69 coordinates: [ 0.202857365000000, 0.217307250000000, 0.828916690000000 ] mass: 35.453000 reduced_to: 69 - symbol: Cl # 70 coordinates: [ 0.702857365000000, 0.217307250000000, 0.828916690000000 ] mass: 35.453000 reduced_to: 69 - symbol: Cl # 71 coordinates: [ 0.202857365000000, 0.717307250000000, 0.828916690000000 ] mass: 35.453000 reduced_to: 69 - symbol: Cl # 72 coordinates: [ 0.702857365000000, 0.717307250000000, 0.828916690000000 ] mass: 35.453000 reduced_to: 69 - symbol: Cl # 73 coordinates: [ 0.460421145000000, 0.208743255000000, 0.320911520000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 74 coordinates: [ 0.960421145000000, 0.208743255000000, 0.320911520000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 75 coordinates: [ 0.460421145000000, 0.708743255000000, 0.320911520000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 76 coordinates: [ 0.960421145000000, 0.708743255000000, 0.320911520000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 77 coordinates: [ 0.460421140000000, 0.291256735000000, 0.820911530000000 ] mass: 35.453000 reduced_to: 77 - symbol: Cl # 78 coordinates: [ 0.960421140000000, 0.291256735000000, 0.820911530000000 ] mass: 35.453000 reduced_to: 77 - symbol: Cl # 79 coordinates: [ 0.460421140000000, 0.791256735000000, 0.820911530000000 ] mass: 35.453000 reduced_to: 77 - symbol: Cl # 80 coordinates: [ 0.960421140000000, 0.791256735000000, 0.820911530000000 ] mass: 35.453000 reduced_to: 77 - symbol: Cd # 81 coordinates: [ 0.001863250000000, 0.130995630000000, 0.502772430000000 ] mass: 112.411000 reduced_to: 81 - symbol: Cd # 82 coordinates: [ 0.501863250000000, 0.130995630000000, 0.502772430000000 ] mass: 112.411000 reduced_to: 81 - symbol: Cd # 83 coordinates: [ 0.001863250000000, 0.630995630000000, 0.502772430000000 ] mass: 112.411000 reduced_to: 81 - symbol: Cd # 84 coordinates: [ 0.501863250000000, 0.630995630000000, 0.502772430000000 ] mass: 112.411000 reduced_to: 81 - symbol: Cd # 85 coordinates: [ 0.001863250000000, 0.369004365000000, 0.002772430000000 ] mass: 112.411000 reduced_to: 85 - symbol: Cd # 86 coordinates: [ 0.501863250000000, 0.369004365000000, 0.002772430000000 ] mass: 112.411000 reduced_to: 85 - symbol: Cd # 87 coordinates: [ 0.001863250000000, 0.869004365000000, 0.002772430000000 ] mass: 112.411000 reduced_to: 85 - symbol: Cd # 88 coordinates: [ 0.501863250000000, 0.869004365000000, 0.002772430000000 ] mass: 112.411000 reduced_to: 85born_effective_charge:- # 1 (Al) - [ 2.888171720000000, 0.293346030000000, 0.132930540000000 ] - [ 0.122852970000000, 2.005323860000000, -0.349128040000000 ] - [ -0.040307730000000, -0.160878550000000, 2.140652680000000 ]- # 2 (Al) - [ 2.240370130000000, 0.017262500000000, 0.164024360000000 ] - [ 0.203648980000000, 2.062929280000000, -0.350471920000000 ] - [ -0.181931910000000, -0.444937610000000, 2.718371970000000 ]- # 3 (Al) - [ 2.240370125864032, -0.017262501394078, 0.164024367633469 ] - [ -0.203648971082772, 2.062929280685366, 0.350471911375563 ] - [ -0.181931919727613, 0.444937624734197, 2.718371973450603 ]- # 4 (Al) - [ 2.888171725782593, -0.293346047972083, 0.132930541948748 ] - [ -0.122852943345341, 2.005323856562527, 0.349128041117615 ] - [ -0.040307732722186, 0.160878553104702, 2.140652677654880 ]- # 5 (Cl) - [ -0.626913220000000, 0.103208260000000, 0.129690960000000 ] - [ 0.087298710000000, -0.717405030000000, -0.404447110000000 ] - [ 0.093763820000000, -0.335582830000000, -1.006583840000000 ]- # 6 (Cl) - [ -0.626913218969946, -0.103208259967199, 0.129690967103385 ] - [ -0.087298709272763, -0.717405031369186, 0.404447119716605 ] - [ 0.093763811592205, 0.335582823191761, -1.006583839660868 ]- # 7 (Cl) - [ -1.154938020000000, -0.277636750000000, 0.088917570000000 ] - [ -0.209868760000000, -0.983773520000000, -0.051844640000000 ] - [ 0.058834930000000, -0.060471500000000, -0.464249020000000 ]- # 8 (Cl) - [ -1.154938023339965, 0.277636755337100, 0.088917576867406 ] - [ 0.209868753787381, -0.983773517060966, 0.051844631961748 ] - [ 0.058834924840561, 0.060471507051657, -0.464249019599069 ]- # 9 (Cl) - [ -1.669272340000000, 0.233380990000000, -0.412703960000000 ] - [ 0.295624010000000, -0.514132160000000, 0.024927560000000 ] - [ -0.240436360000000, -0.040310760000000, -0.672850530000000 ]- # 10 (Cl) - [ -1.669272339909111, -0.233380970342068, -0.412703965347643 ] - [ -0.295624038871478, -0.514132161319123, -0.024927568823838 ] - [ -0.240436356403811, 0.040310762915413, -0.672850528771767 ]- # 11 (Cl) - [ -0.503303060000000, -0.138695600000000, -0.076044280000000 ] - [ -0.125642520000000, -0.761761320000000, -0.056686300000000 ] - [ -0.048312240000000, 0.049590790000000, -1.337729990000000 ]- # 12 (Cl) - [ -0.503303061194467, 0.138695592881496, -0.076044275867723 ] - [ 0.125642528551041, -0.761761316874213, 0.056686309570839 ] - [ -0.048312240578784, -0.049590798203268, -1.337729991931320 ]- # 13 (Cl) - [ -1.329537350000000, -0.067085610000000, 0.283377190000000 ] - [ -0.090526280000000, -0.770561360000000, -0.153332320000000 ] - [ 0.252341410000000, -0.177287250000000, -0.597599060000000 ]- # 14 (Cl) - [ -1.329537349899673, 0.067085627316365, 0.283377194868222 ] - [ 0.090526258478370, -0.770561361254160, 0.153332324748459 ] - [ 0.252341403350797, 0.177287247043378, -0.597599058846167 ]- # 15 (Cl) - [ -0.531243150000000, 0.197985150000000, -0.178312710000000 ] - [ 0.192409440000000, -1.009392180000000, 0.130000340000000 ] - [ -0.142732600000000, 0.239877780000000, -1.077855110000000 ]- # 16 (Cl) - [ -0.531243148592488, -0.197985163777153, -0.178312717017281 ] - [ -0.192409423087847, -1.009392178594939, -0.130000343814735 ] - [ -0.142732589873774, -0.239877777853187, -1.077855112812573 ]- # 17 (Cl) - [ -1.021012670000000, -0.008821510000000, -0.326900560000000 ] - [ -0.036642940000000, -0.496842420000000, 0.042958090000000 ] - [ -0.303287980000000, 0.054006650000000, -0.817679380000000 ]- # 18 (Cl) - [ -1.021012669423022, 0.008821516664666, -0.326900560798322 ] - [ 0.036642930875768, -0.496842420164891, -0.042958092993385 ] - [ -0.303287979011881, -0.054006648271128, -0.817679380412087 ]- # 19 (Cl) - [ -0.809758150000000, -0.270961910000000, 0.277699630000000 ] - [ -0.331754770000000, -0.739299780000000, 0.542517570000000 ] - [ 0.411916910000000, 0.599461020000000, -1.306316250000000 ]- # 20 (Cl) - [ -0.809758150366989, 0.270961916091689, 0.277699623185627 ] - [ 0.331754759502708, -0.739299776120152, -0.542517550263138 ] - [ 0.411916922179014, -0.599461038546940, -1.306316253512860 ]- # 21 (Cd) - [ 2.517436120000000, 0.064112190000000, -0.082678740000000 ] - [ 0.070424790000000, 1.924914630000000, -0.007427720000000 ] - [ 0.140151760000000, -0.017619710000000, 2.421838520000000 ]- # 22 (Cd) - [ 2.517436120270779, -0.064112204838735, -0.082678741143724 ] - [ -0.070424775535066, 1.924914629488364, 0.007427707404267 ] - [ 0.140151760622157, 0.017619714833413, 2.421838520240858 ]dielectric_constant: - [ 2.822381080000000, 0.000000000000000, 0.010288550000000 ] - [ -0.000000000000000, 2.603448740000000, 0.000000000000000 ] - [ 0.010285520000000, -0.000000000000000, 2.778190500000000 ]displacements:- atom: 1 displacement: [ 0.0099999999133341, -0.0000000001139357, 0.0000013165557043 ] forces: - [ -0.1424280200000000, -0.0131397800000000, 0.0104447500000000 ] - [ 0.0053271400000000, 0.0001269800000000, -0.0007935900000000 ] - [ -0.0018431100000000, 0.0003161700000000, -0.0015008800000000 ] - [ 0.0008986800000000, 0.0005223100000000, -0.0011401300000000 ] - [ -0.0006168000000000, -0.0021243200000000, 0.0025822300000000 ] - [ 0.0030778300000000, 0.0013101300000000, -0.0004588900000000 ] - [ 0.0004121800000000, 0.0014752000000000, 0.0012738900000000 ] - [ 0.0017569800000000, -0.0011217800000000, 0.0002698800000000 ] - [ 0.0000646500000000, -0.0025120700000000, -0.0022097000000000 ] - [ 0.0019855900000000, 0.0032505500000000, 0.0027665600000000 ] - [ 0.0004563000000000, 0.0007441200000000, -0.0003793200000000 ] - [ 0.0005307300000000, -0.0001776900000000, 0.0022117500000000 ] - [ -0.0013696200000000, -0.0001062300000000, -0.0011734900000000 ] - [ 0.0006379300000000, -0.0005032200000000, -0.0010863300000000 ] - [ -0.0015855600000000, -0.0000609800000000, -0.0015126900000000 ] - [ 0.0010999200000000, -0.0003653700000000, -0.0010656600000000 ] - [ 0.0000517500000000, -0.0007565700000000, -0.0003242600000000 ] - [ -0.0006018200000000, -0.0005957400000000, -0.0003600900000000 ] - [ -0.0000119800000000, -0.0006392400000000, -0.0004395000000000 ] - [ -0.0004700500000000, -0.0005765600000000, -0.0003374000000000 ] - [ 0.0001451700000000, 0.0005166700000000, -0.0004403000000000 ] - [ -0.0005447000000000, 0.0005178700000000, -0.0003122800000000 ] - [ 0.0102620100000000, 0.0102190200000000, -0.0171463700000000 ] - [ -0.0012702000000000, 0.0005732300000000, -0.0002048700000000 ] - [ 0.0157284700000000, 0.0215836900000000, 0.0020564900000000 ] - [ -0.0009827700000000, -0.0016172300000000, 0.0000135800000000 ] - [ 0.0010860900000000, -0.0011671800000000, -0.0000348800000000 ] - [ 0.0000203300000000, -0.0015536500000000, -0.0000210800000000 ] - [ 0.0010868100000000, 0.0012072700000000, -0.0001318400000000 ] - [ 0.0000954200000000, 0.0015488300000000, -0.0000416700000000 ] - [ 0.0011247000000000, 0.0012004700000000, -0.0000210400000000 ] - [ -0.0000193900000000, 0.0014094500000000, -0.0000776700000000 ] - [ 0.0504034200000000, 0.0097410100000000, 0.0371617500000000 ] - [ -0.0029679300000000, 0.0061604900000000, -0.0018066600000000 ] - [ 0.0017819600000000, 0.0055198700000000, -0.0005992500000000 ] - [ 0.0004179700000000, 0.0057586700000000, -0.0009994900000000 ] - [ 0.0015402400000000, -0.0055471800000000, -0.0007071600000000 ] - [ 0.0005134600000000, -0.0057786100000000, -0.0009719900000000 ] - [ 0.0016216300000000, -0.0056092600000000, -0.0006713700000000 ] - [ 0.0004232500000000, -0.0057394600000000, -0.0009541400000000 ] - [ 0.0001008300000000, 0.0019171100000000, 0.0015460400000000 ] - [ -0.0002260300000000, -0.0004604300000000, -0.0005383400000000 ] - [ 0.0000455800000000, -0.0003806700000000, 0.0002393800000000 ] - [ 0.0002637200000000, 0.0007077400000000, -0.0007005900000000 ] - [ 0.0002155200000000, 0.0000771000000000, -0.0005767000000000 ] - [ -0.0000850400000000, -0.0002689500000000, 0.0003450200000000 ] - [ 0.0002402800000000, -0.0005295300000000, -0.0003131000000000 ] - [ 0.0000144100000000, 0.0001609900000000, 0.0001599600000000 ] - [ 0.0004273300000000, -0.0058784900000000, 0.0006031600000000 ] - [ -0.0003280800000000, -0.0056564900000000, 0.0009131300000000 ] - [ 0.0478424700000000, -0.0333330600000000, -0.0326804200000000 ] - [ -0.0034235500000000, -0.0059674700000000, 0.0014427300000000 ] - [ 0.0007333200000000, 0.0056721300000000, 0.0007715000000000 ] - [ -0.0004983100000000, 0.0056936400000000, 0.0008477000000000 ] - [ 0.0004889700000000, 0.0056189800000000, 0.0006666200000000 ] - [ -0.0002887700000000, 0.0057895900000000, 0.0008508800000000 ] - [ -0.0001458900000000, 0.0003818300000000, -0.0016449500000000 ] - [ -0.0002455600000000, -0.0006609500000000, -0.0007615800000000 ] - [ -0.0000524400000000, -0.0007462900000000, -0.0020449900000000 ] - [ -0.0002775900000000, 0.0004158600000000, -0.0004231000000000 ] - [ -0.0006077500000000, 0.0013828500000000, 0.0008059000000000 ] - [ -0.0014844400000000, -0.0020879100000000, -0.0031664100000000 ] - [ -0.0002265300000000, -0.0003111600000000, -0.0010843300000000 ] - [ -0.0001053800000000, 0.0002461200000000, -0.0014601600000000 ] - [ -0.0004091900000000, 0.0029330600000000, -0.0000185100000000 ] - [ -0.0019820900000000, 0.0017215600000000, 0.0003025100000000 ] - [ -0.0007458000000000, 0.0012256200000000, 0.0001222500000000 ] - [ -0.0016797000000000, 0.0021346400000000, 0.0003063000000000 ] - [ -0.0002638800000000, -0.0015243800000000, 0.0011016400000000 ] - [ -0.0021315900000000, -0.0023872200000000, -0.0003067400000000 ] - [ -0.0009299300000000, -0.0020843000000000, 0.0005818700000000 ] - [ -0.0013942900000000, -0.0019242900000000, 0.0000559900000000 ] - [ -0.0012968000000000, -0.0032784500000000, 0.0032442000000000 ] - [ 0.0002312300000000, 0.0001954600000000, -0.0005468900000000 ] - [ 0.0000864500000000, -0.0010895600000000, 0.0012522900000000 ] - [ 0.0003104700000000, -0.0017810100000000, 0.0012707500000000 ] - [ 0.0006318400000000, 0.0007227000000000, 0.0002788400000000 ] - [ 0.0000382300000000, 0.0021267500000000, 0.0020357000000000 ] - [ 0.0005652400000000, 0.0013695500000000, 0.0008259500000000 ] - [ 0.0002997200000000, 0.0014822300000000, 0.0014673600000000 ] - [ 0.0108243100000000, -0.0040638300000000, -0.0017657300000000 ] - [ 0.0125506700000000, 0.0118884300000000, 0.0005110900000000 ] - [ -0.0004225200000000, 0.0026491600000000, 0.0009413700000000 ] - [ -0.0008919700000000, 0.0010079000000000, 0.0009141300000000 ] - [ -0.0006021700000000, -0.0023549900000000, 0.0006326700000000 ] - [ -0.0011335100000000, -0.0012886000000000, 0.0009083700000000 ] - [ -0.0005077000000000, -0.0015622500000000, 0.0013131800000000 ] - [ -0.0013627600000000, -0.0019106100000000, -0.0000828200000000 ]- atom: 1 displacement: [ -0.0099999999133341, 0.0000000001139357, -0.0000013165557043 ] forces: - [ 0.1420952800000000, 0.0144632400000000, -0.0088284400000000 ] - [ -0.0060560100000000, 0.0004513700000000, -0.0015485700000000 ] - [ 0.0011148900000000, 0.0002634300000000, -0.0008382800000000 ] - [ -0.0016301800000000, 0.0000584800000000, -0.0012018100000000 ] - [ 0.0016458400000000, 0.0018567600000000, -0.0008890400000000 ] - [ -0.0020516300000000, -0.0015774000000000, 0.0021503000000000 ] - [ 0.0006149600000000, -0.0017423400000000, 0.0004162000000000 ] - [ -0.0007319500000000, 0.0008560900000000, 0.0014228800000000 ] - [ 0.0009748000000000, 0.0027957200000000, 0.0039176500000000 ] - [ -0.0009586200000000, -0.0029548000000000, -0.0010721300000000 ] - [ 0.0005801300000000, -0.0004753400000000, 0.0020757000000000 ] - [ 0.0004950400000000, 0.0004440100000000, -0.0005172900000000 ] - [ 0.0006374200000000, -0.0004731300000000, -0.0011658300000000 ] - [ -0.0013696800000000, -0.0000760000000000, -0.0012529600000000 ] - [ 0.0008530700000000, -0.0005213500000000, -0.0008335200000000 ] - [ -0.0018315100000000, -0.0002158000000000, -0.0012730300000000 ] - [ -0.0005460300000000, -0.0004753700000000, -0.0004336400000000 ] - [ 0.0001093900000000, -0.0006377300000000, -0.0004050700000000 ] - [ -0.0004814900000000, -0.0005946100000000, -0.0003255100000000 ] - [ -0.0000228600000000, -0.0006572300000000, -0.0004277000000000 ] - [ -0.0006399700000000, 0.0007176000000000, -0.0003243800000000 ] - [ 0.0000521300000000, 0.0007153200000000, -0.0004517400000000 ] - [ -0.0105109900000000, -0.0087422000000000, 0.0159274300000000 ] - [ 0.0007770600000000, 0.0006615500000000, -0.0005585600000000 ] - [ -0.0147525500000000, -0.0242526300000000, -0.0022187000000000 ] - [ 0.0021336100000000, -0.0011281600000000, -0.0001582400000000 ] - [ 0.0000629600000000, -0.0015785200000000, -0.0001110600000000 ] - [ 0.0011284800000000, -0.0011926000000000, -0.0001245300000000 ] - [ 0.0000625300000000, 0.0015381400000000, -0.0000142600000000 ] - [ 0.0010538600000000, 0.0011966400000000, -0.0001046700000000 ] - [ 0.0000243500000000, 0.0015455800000000, -0.0001242100000000 ] - [ 0.0011682300000000, 0.0013372400000000, -0.0000686100000000 ] - [ -0.0504422700000000, 0.0015337900000000, -0.0407482800000000 ] - [ 0.0050594700000000, 0.0051593200000000, 0.0001498000000000 ] - [ 0.0003121400000000, 0.0057990000000000, -0.0010592700000000 ] - [ 0.0016794400000000, 0.0055602800000000, -0.0006578400000000 ] - [ 0.0005549600000000, -0.0057720600000000, -0.0009510700000000 ] - [ 0.0015830300000000, -0.0055404700000000, -0.0006859900000000 ] - [ 0.0004731000000000, -0.0057099200000000, -0.0009854000000000 ] - [ 0.0016740500000000, -0.0055788800000000, -0.0007043200000000 ] - [ 0.0001894300000000, -0.0016150400000000, -0.0018125300000000 ] - [ 0.0005142200000000, 0.0007627800000000, 0.0002786800000000 ] - [ 0.0002394700000000, 0.0006906600000000, -0.0005064900000000 ] - [ 0.0000219600000000, -0.0003975100000000, 0.0004363300000000 ] - [ 0.0000695600000000, -0.0003858500000000, 0.0003102400000000 ] - [ 0.0003710200000000, -0.0000394000000000, -0.0006102800000000 ] - [ 0.0000451300000000, 0.0002205200000000, 0.0000485500000000 ] - [ 0.0002715700000000, -0.0004697400000000, -0.0004248300000000 ] - [ -0.0002571300000000, -0.0055479500000000, 0.0009398300000000 ] - [ 0.0004974300000000, -0.0057714100000000, 0.0006303000000000 ] - [ -0.0460457200000000, 0.0208097900000000, 0.0327218400000000 ] - [ 0.0035913600000000, -0.0054617600000000, 0.0001021800000000 ] - [ -0.0005623600000000, 0.0057553900000000, 0.0007724100000000 ] - [ 0.0006684300000000, 0.0057354500000000, 0.0006941800000000 ] - [ -0.0003183000000000, 0.0058081600000000, 0.0008758300000000 ] - [ 0.0004591700000000, 0.0056375600000000, 0.0006913200000000 ] - [ -0.0001201500000000, -0.0005955300000000, -0.0008498100000000 ] - [ -0.0000195200000000, 0.0004455000000000, -0.0017326500000000 ] - [ -0.0002124500000000, 0.0005323200000000, -0.0004480900000000 ] - [ 0.0000119000000000, -0.0006312600000000, -0.0020720500000000 ] - [ 0.0003501800000000, -0.0011775300000000, -0.0033076200000000 ] - [ 0.0012075100000000, 0.0022758000000000, 0.0006718800000000 ] - [ -0.0000394900000000, 0.0005274500000000, -0.0014101500000000 ] - [ -0.0001588500000000, -0.0000287000000000, -0.0010333200000000 ] - [ -0.0018798000000000, 0.0009815300000000, 0.0007211500000000 ] - [ -0.0003041600000000, 0.0021977200000000, 0.0003977500000000 ] - [ -0.0015413400000000, 0.0026977100000000, 0.0005800800000000 ] - [ -0.0006062500000000, 0.0017848200000000, 0.0003939300000000 ] - [ -0.0020313800000000, -0.0023957600000000, -0.0004069000000000 ] - [ -0.0001601200000000, -0.0015365200000000, 0.0010023400000000 ] - [ -0.0013624800000000, -0.0018369000000000, 0.0001163200000000 ] - [ -0.0008935200000000, -0.0019948700000000, 0.0006423500000000 ] - [ 0.0020924700000000, 0.0003616700000000, -0.0008870300000000 ] - [ 0.0005614300000000, -0.0031093100000000, 0.0029051100000000 ] - [ 0.0007094500000000, -0.0018270800000000, 0.0011080300000000 ] - [ 0.0004848400000000, -0.0011357500000000, 0.0010900600000000 ] - [ 0.0001669500000000, 0.0021899400000000, 0.0020782400000000 ] - [ 0.0007570600000000, 0.0007869400000000, 0.0003199500000000 ] - [ 0.0002315700000000, 0.0015472300000000, 0.0015327000000000 ] - [ 0.0004944500000000, 0.0014350200000000, 0.0008920100000000 ] - [ -0.0126093500000000, 0.0077064500000000, 0.0031087100000000 ] - [ -0.0142163800000000, -0.0081767100000000, 0.0008296100000000 ] - [ -0.0013232800000000, 0.0009831700000000, 0.0004307500000000 ] - [ -0.0008595800000000, 0.0026230200000000, 0.0004576400000000 ] - [ -0.0011427700000000, -0.0012781800000000, 0.0007430700000000 ] - [ -0.0006144800000000, -0.0023449500000000, 0.0004654600000000 ] - [ -0.0012352800000000, -0.0020720700000000, 0.0000603700000000 ] - [ -0.0003868600000000, -0.0017238200000000, 0.0014564800000000 ]- atom: 1 displacement: [ -0.0000000001462832, 0.0100000000000000, 0.0000000001023983 ] forces: - [ -0.0152043600000000, -0.1517611400000000, 0.0287438000000000 ] - [ -0.0005264900000000, -0.0004346500000000, -0.0017668800000000 ] - [ -0.0003412100000000, 0.0034691500000000, -0.0015915200000000 ] - [ -0.0001346200000000, 0.0010973500000000, -0.0013166700000000 ] - [ -0.0017534900000000, -0.0004860900000000, -0.0001764700000000 ] - [ 0.0016699000000000, 0.0008506500000000, 0.0001521500000000 ] - [ 0.0017686200000000, -0.0003108100000000, 0.0014481600000000 ] - [ 0.0001448700000000, 0.0003218800000000, 0.0009650000000000 ] - [ -0.0014083100000000, -0.0013918700000000, 0.0022092100000000 ] - [ 0.0021224100000000, -0.0009222800000000, 0.0031498400000000 ] - [ 0.0014163000000000, 0.0015167000000000, 0.0001009600000000 ] - [ -0.0000400100000000, 0.0011955600000000, 0.0008434700000000 ] - [ -0.0005495700000000, 0.0002988100000000, -0.0011076500000000 ] - [ -0.0001528800000000, 0.0000136200000000, -0.0009936300000000 ] - [ -0.0005970900000000, -0.0004931700000000, -0.0019447800000000 ] - [ -0.0002920100000000, -0.0005362800000000, -0.0013072600000000 ] - [ -0.0002780300000000, -0.0004043300000000, -0.0002256500000000 ] - [ -0.0002674700000000, -0.0004752100000000, -0.0002965900000000 ] - [ -0.0002082800000000, -0.0008548800000000, -0.0004632200000000 ] - [ -0.0002565800000000, -0.0007658000000000, -0.0004811100000000 ] - [ -0.0002127900000000, -0.0005141500000000, 0.0000473600000000 ] - [ -0.0003789700000000, 0.0002868200000000, -0.0002187700000000 ] - [ 0.0091356600000000, 0.0405789200000000, -0.0560945800000000 ] - [ -0.0002977500000000, 0.0007976300000000, -0.0003196500000000 ] - [ 0.0160436300000000, 0.0880114500000000, 0.0122559700000000 ] - [ 0.0006758200000000, -0.0008871200000000, 0.0000067900000000 ] - [ 0.0005368700000000, -0.0027416500000000, -0.0003143200000000 ] - [ 0.0002913200000000, -0.0017811600000000, -0.0000739700000000 ] - [ 0.0007067900000000, 0.0010791500000000, -0.0001197700000000 ] - [ 0.0005796600000000, 0.0012529100000000, -0.0000845300000000 ] - [ 0.0006383500000000, 0.0013689800000000, 0.0000135300000000 ] - [ 0.0004881300000000, 0.0014844800000000, -0.0000508700000000 ] - [ 0.0011264800000000, 0.0127673300000000, 0.0013976600000000 ] - [ 0.0022486700000000, 0.0058296700000000, -0.0004831900000000 ] - [ 0.0014003300000000, 0.0051085300000000, -0.0008010600000000 ] - [ 0.0010373500000000, 0.0054425900000000, -0.0008578800000000 ] - [ 0.0010666300000000, -0.0057708400000000, -0.0008064700000000 ] - [ 0.0007385000000000, -0.0058255300000000, -0.0009275500000000 ] - [ 0.0008778200000000, -0.0058159300000000, -0.0005653000000000 ] - [ 0.0012682500000000, -0.0055308400000000, -0.0008486500000000 ] - [ 0.0011151300000000, 0.0009543500000000, -0.0003561200000000 ] - [ -0.0017720200000000, -0.0004314600000000, -0.0016618300000000 ] - [ -0.0000649900000000, -0.0007234200000000, -0.0000634100000000 ] - [ 0.0002017500000000, -0.0002545200000000, 0.0000235000000000 ] - [ 0.0003636900000000, -0.0000510000000000, 0.0002372100000000 ] - [ -0.0000874300000000, -0.0001397800000000, 0.0001231800000000 ] - [ -0.0000118000000000, -0.0002308000000000, -0.0003011700000000 ] - [ 0.0002539100000000, -0.0003548800000000, -0.0001345200000000 ] - [ 0.0000316600000000, -0.0069171400000000, 0.0004110000000000 ] - [ 0.0000161800000000, -0.0059595600000000, 0.0007330700000000 ] - [ -0.0190098000000000, 0.0205720200000000, 0.0193534200000000 ] - [ -0.0000031900000000, -0.0056301400000000, 0.0008571900000000 ] - [ 0.0002572300000000, 0.0057181500000000, 0.0010306800000000 ] - [ -0.0000857600000000, 0.0058771400000000, 0.0007735900000000 ] - [ 0.0002428500000000, 0.0054200900000000, 0.0007535300000000 ] - [ 0.0000682800000000, 0.0055569000000000, 0.0008168900000000 ] - [ 0.0002466600000000, -0.0003935000000000, -0.0009304600000000 ] - [ -0.0001523100000000, -0.0003488100000000, -0.0010822800000000 ] - [ -0.0003199700000000, 0.0000777700000000, -0.0011957700000000 ] - [ -0.0000304700000000, -0.0003627400000000, -0.0014670500000000 ] - [ 0.0001643700000000, 0.0013586700000000, -0.0014338600000000 ] - [ -0.0013391700000000, 0.0018329300000000, -0.0024085100000000 ] - [ -0.0003383200000000, -0.0006124300000000, -0.0011495700000000 ] - [ -0.0001589100000000, -0.0004702800000000, -0.0012655800000000 ] - [ 0.0003476200000000, 0.0022058100000000, 0.0011203300000000 ] - [ -0.0015136300000000, 0.0018784000000000, 0.0003793500000000 ] - [ -0.0020230300000000, 0.0019426900000000, -0.0002012600000000 ] - [ -0.0009884300000000, 0.0018794000000000, 0.0003734000000000 ] - [ -0.0005948500000000, -0.0016051200000000, -0.0002009500000000 ] - [ -0.0016030000000000, -0.0017745800000000, -0.0000735500000000 ] - [ -0.0013511900000000, -0.0023554700000000, 0.0004892400000000 ] - [ -0.0009220000000000, -0.0021130300000000, 0.0004248800000000 ] - [ -0.0006295700000000, -0.0016544000000000, 0.0023545000000000 ] - [ 0.0006712600000000, -0.0008049900000000, 0.0007593400000000 ] - [ 0.0004590700000000, -0.0016934700000000, 0.0012713000000000 ] - [ 0.0000917400000000, -0.0016348200000000, 0.0011803700000000 ] - [ 0.0002724800000000, 0.0011686200000000, 0.0002500600000000 ] - [ 0.0006495100000000, 0.0014599000000000, 0.0009638800000000 ] - [ 0.0007528700000000, 0.0013045300000000, 0.0011615000000000 ] - [ 0.0001302000000000, 0.0014407900000000, 0.0014058800000000 ] - [ -0.0010577000000000, -0.0001073200000000, -0.0003818900000000 ] - [ 0.0096875800000000, -0.0093191300000000, -0.0050634800000000 ] - [ -0.0005314700000000, 0.0031876900000000, 0.0011260500000000 ] - [ -0.0011554500000000, 0.0033753700000000, 0.0009178500000000 ] - [ -0.0009611600000000, -0.0015573800000000, 0.0006491500000000 ] - [ -0.0007735200000000, -0.0011499700000000, 0.0013613100000000 ] - [ -0.0002185200000000, -0.0018182700000000, 0.0004178100000000 ] - [ -0.0014088700000000, -0.0018112500000000, 0.0005558800000000 ]- atom: 1 displacement: [ 0.0000000001462832, -0.0100000000000000, -0.0000000001023983 ] forces: - [ 0.0124517400000000, 0.1483150800000000, -0.0329501100000000 ] - [ -0.0002005500000000, 0.0010121800000000, -0.0005815700000000 ] - [ -0.0003922500000000, -0.0028978500000000, -0.0007526300000000 ] - [ -0.0005968200000000, -0.0005155400000000, -0.0010249800000000 ] - [ 0.0027638300000000, 0.0002096200000000, 0.0018666700000000 ] - [ -0.0006394200000000, -0.0011172700000000, 0.0015383200000000 ] - [ -0.0007554700000000, 0.0000513800000000, 0.0002353900000000 ] - [ 0.0008823100000000, -0.0005834600000000, 0.0007266200000000 ] - [ 0.0024241500000000, 0.0016448100000000, -0.0005150800000000 ] - [ -0.0010917100000000, 0.0011822900000000, -0.0014581200000000 ] - [ -0.0003884600000000, -0.0012482000000000, 0.0015999300000000 ] - [ 0.0010686400000000, -0.0009252200000000, 0.0008496300000000 ] - [ -0.0001810600000000, -0.0008809900000000, -0.0012343700000000 ] - [ -0.0005785700000000, -0.0005963200000000, -0.0013469700000000 ] - [ -0.0001354000000000, -0.0000855100000000, -0.0003962300000000 ] - [ -0.0004397300000000, -0.0000442400000000, -0.0010329900000000 ] - [ -0.0002144500000000, -0.0008256600000000, -0.0005313500000000 ] - [ -0.0002249500000000, -0.0007536700000000, -0.0004600100000000 ] - [ -0.0002845500000000, -0.0003736500000000, -0.0002916500000000 ] - [ -0.0002360300000000, -0.0004625500000000, -0.0002745700000000 ] - [ -0.0002794600000000, 0.0017434200000000, -0.0008040700000000 ] - [ -0.0001134800000000, 0.0009414200000000, -0.0005366800000000 ] - [ -0.0098300800000000, -0.0394712600000000, 0.0566025000000000 ] - [ -0.0001955700000000, 0.0004303000000000, -0.0004335000000000 ] - [ -0.0133848100000000, -0.0866726100000000, -0.0118253400000000 ] - [ 0.0004766800000000, -0.0018491400000000, -0.0001506700000000 ] - [ 0.0006136400000000, 0.0000117600000000, 0.0001722400000000 ] - [ 0.0008616000000000, -0.0009581800000000, -0.0000710300000000 ] - [ 0.0004444500000000, 0.0016595200000000, -0.0000251000000000 ] - [ 0.0005727100000000, 0.0014863100000000, -0.0000609300000000 ] - [ 0.0005137000000000, 0.0013678700000000, -0.0001584200000000 ] - [ 0.0006643300000000, 0.0012532600000000, -0.0000946700000000 ] - [ 0.0012909900000000, -0.0013921600000000, -0.0027941600000000 ] - [ -0.0001569200000000, 0.0054929300000000, -0.0011763800000000 ] - [ 0.0006924600000000, 0.0062134200000000, -0.0008588200000000 ] - [ 0.0010534800000000, 0.0058786700000000, -0.0008026600000000 ] - [ 0.0010243000000000, -0.0055508600000000, -0.0008542300000000 ] - [ 0.0013519700000000, -0.0054963100000000, -0.0007334000000000 ] - [ 0.0012114400000000, -0.0055070900000000, -0.0010954900000000 ] - [ 0.0008227900000000, -0.0057909900000000, -0.0008125400000000 ] - [ -0.0008189600000000, -0.0006423400000000, 0.0000890300000000 ] - [ 0.0020540900000000, 0.0007385300000000, 0.0013926600000000 ] - [ 0.0003515100000000, 0.0010338700000000, -0.0002081700000000 ] - [ 0.0000811100000000, 0.0005593100000000, -0.0002918000000000 ] - [ -0.0000776600000000, -0.0002545000000000, -0.0005063800000000 ] - [ 0.0003715800000000, -0.0001666700000000, -0.0003923500000000 ] - [ 0.0002983800000000, -0.0000779700000000, 0.0000350500000000 ] - [ 0.0000309300000000, 0.0000466100000000, -0.0001349100000000 ] - [ 0.0001396200000000, -0.0045073100000000, 0.0011308800000000 ] - [ 0.0001578800000000, -0.0054664200000000, 0.0008066600000000 ] - [ 0.0195215200000000, -0.0319003600000000, -0.0180391700000000 ] - [ 0.0001661800000000, -0.0057977500000000, 0.0006848100000000 ] - [ -0.0000821500000000, 0.0057076400000000, 0.0005077800000000 ] - [ 0.0002596400000000, 0.0055486500000000, 0.0007652700000000 ] - [ -0.0000692300000000, 0.0060058400000000, 0.0007856800000000 ] - [ 0.0001062300000000, 0.0058692400000000, 0.0007218700000000 ] - [ -0.0005126200000000, 0.0001827000000000, -0.0015651800000000 ] - [ -0.0001161000000000, 0.0001378000000000, -0.0014143200000000 ] - [ 0.0000541200000000, -0.0002942100000000, -0.0013008000000000 ] - [ -0.0002371800000000, 0.0001485900000000, -0.0010315700000000 ] - [ -0.0004299900000000, -0.0011379900000000, -0.0010549600000000 ] - [ 0.0010651800000000, -0.0016105100000000, -0.0000857100000000 ] - [ 0.0000709200000000, 0.0008262700000000, -0.0013479500000000 ] - [ -0.0001101100000000, 0.0006817700000000, -0.0012319300000000 ] - [ -0.0026146600000000, 0.0017146000000000, -0.0004101800000000 ] - [ -0.0007671700000000, 0.0020412200000000, 0.0003216700000000 ] - [ -0.0002453300000000, 0.0019773100000000, 0.0009116400000000 ] - [ -0.0012908500000000, 0.0020388000000000, 0.0003280000000000 ] - [ -0.0016797200000000, -0.0023140000000000, 0.0008972500000000 ] - [ -0.0006781100000000, -0.0021436400000000, 0.0007739000000000 ] - [ -0.0009306600000000, -0.0015649900000000, 0.0002088200000000 ] - [ -0.0013590500000000, -0.0018071900000000, 0.0002749400000000 ] - [ 0.0014148100000000, -0.0012641000000000, 0.0000081500000000 ] - [ 0.0001232500000000, -0.0021061100000000, 0.0015981500000000 ] - [ 0.0003310900000000, -0.0012285000000000, 0.0010947900000000 ] - [ 0.0007023100000000, -0.0012851100000000, 0.0011843900000000 ] - [ 0.0005173600000000, 0.0017506000000000, 0.0021114500000000 ] - [ 0.0001439700000000, 0.0014599100000000, 0.0013986200000000 ] - [ 0.0000392000000000, 0.0016134700000000, 0.0011995300000000 ] - [ 0.0006629700000000, 0.0014759900000000, 0.0009545600000000 ] - [ -0.0006685800000000, 0.0037038100000000, 0.0017384300000000 ] - [ -0.0114036500000000, 0.0129063800000000, 0.0064300300000000 ] - [ -0.0012217100000000, 0.0004425700000000, 0.0002447500000000 ] - [ -0.0005855000000000, 0.0002572700000000, 0.0004521500000000 ] - [ -0.0007883000000000, -0.0020777700000000, 0.0007239900000000 ] - [ -0.0009737400000000, -0.0024846600000000, 0.0000124400000000 ] - [ -0.0015283600000000, -0.0018117800000000, 0.0009563200000000 ] - [ -0.0003398700000000, -0.0018203700000000, 0.0008191300000000 ]- atom: 1 displacement: [ -0.0004071772244389, 0.0000000000853433, 0.0099917068966167 ] forces: - [ 0.0155947200000000, 0.0336230300000000, -0.1794090300000000 ] - [ -0.0002215300000000, -0.0002967400000000, -0.0036377400000000 ] - [ -0.0006349400000000, -0.0001324000000000, -0.0017248200000000 ] - [ -0.0003866300000000, 0.0001340000000000, -0.0014839000000000 ] - [ 0.0004955800000000, -0.0012068400000000, 0.0027730900000000 ] - [ -0.0002867300000000, -0.0007692000000000, 0.0019938600000000 ] - [ 0.0015673500000000, 0.0007759700000000, 0.0020306100000000 ] - [ 0.0002328300000000, 0.0004897700000000, 0.0016545900000000 ] - [ -0.0021187300000000, 0.0022196800000000, -0.0005048200000000 ] - [ 0.0011329200000000, 0.0013316300000000, 0.0009427500000000 ] - [ -0.0014380300000000, -0.0011586200000000, 0.0005995400000000 ] - [ 0.0017986200000000, -0.0003207300000000, -0.0005441800000000 ] - [ -0.0003283800000000, -0.0003590500000000, -0.0005165700000000 ] - [ -0.0003241000000000, -0.0004568000000000, -0.0007893500000000 ] - [ -0.0006552800000000, 0.0004692400000000, 0.0027671800000000 ] - [ -0.0003225200000000, -0.0001494400000000, -0.0002591000000000 ] - [ -0.0000249600000000, -0.0015051100000000, -0.0022032400000000 ] - [ -0.0002244700000000, -0.0007903800000000, -0.0008168700000000 ] - [ -0.0002113000000000, -0.0006332500000000, -0.0006578700000000 ] - [ -0.0002471000000000, -0.0006105200000000, -0.0005202400000000 ] - [ -0.0002149900000000, 0.0006658500000000, -0.0002079500000000 ] - [ -0.0002595100000000, 0.0006278500000000, -0.0002728400000000 ] - [ -0.0173521300000000, -0.0572270400000000, 0.1063855500000000 ] - [ -0.0003623100000000, 0.0004568800000000, 0.0004261500000000 ] - [ -0.0004940700000000, 0.0069365700000000, 0.0091182700000000 ] - [ 0.0008056000000000, -0.0010881400000000, 0.0003510800000000 ] - [ 0.0004420700000000, -0.0011888700000000, -0.0000136800000000 ] - [ 0.0008279700000000, -0.0012647500000000, -0.0000153200000000 ] - [ 0.0005658000000000, 0.0014256000000000, -0.0002287200000000 ] - [ 0.0005391900000000, 0.0014893900000000, -0.0001866800000000 ] - [ 0.0006581900000000, 0.0014031800000000, -0.0006434700000000 ] - [ 0.0005480000000000, 0.0013274200000000, -0.0002513100000000 ] - [ 0.0318457400000000, 0.0101565300000000, 0.0354578300000000 ] - [ 0.0024466200000000, 0.0057620100000000, -0.0000824000000000 ] - [ 0.0011327600000000, 0.0057958300000000, -0.0005376400000000 ] - [ 0.0010906200000000, 0.0056525000000000, -0.0007188900000000 ] - [ 0.0010977600000000, -0.0056196900000000, -0.0010813500000000 ] - [ 0.0009408600000000, -0.0056446500000000, -0.0009661800000000 ] - [ 0.0010458300000000, -0.0054299600000000, -0.0017872600000000 ] - [ 0.0007135300000000, -0.0057125000000000, -0.0011365000000000 ] - [ 0.0005041400000000, 0.0005608300000000, 0.0018576400000000 ] - [ -0.0002729400000000, -0.0003260900000000, 0.0001747600000000 ] - [ 0.0005961400000000, 0.0009909100000000, 0.0005530700000000 ] - [ -0.0000880800000000, -0.0000545000000000, 0.0005022200000000 ] - [ 0.0001205800000000, -0.0000684200000000, -0.0008532700000000 ] - [ 0.0001556200000000, -0.0001178900000000, -0.0005941000000000 ] - [ 0.0000820400000000, -0.0003117500000000, -0.0007845600000000 ] - [ 0.0001146500000000, -0.0003094500000000, -0.0006156100000000 ] - [ -0.0001166700000000, -0.0055603900000000, 0.0009958900000000 ] - [ 0.0000940400000000, -0.0056282400000000, 0.0008978600000000 ] - [ -0.0307073200000000, 0.0162261900000000, 0.0335003900000000 ] - [ -0.0016799400000000, -0.0060561200000000, 0.0014819700000000 ] - [ 0.0002917400000000, 0.0062062900000000, -0.0003020500000000 ] - [ 0.0002881100000000, 0.0056946500000000, 0.0005422700000000 ] - [ 0.0001013100000000, 0.0058069100000000, 0.0006062100000000 ] - [ 0.0001505900000000, 0.0057805000000000, 0.0006354500000000 ] - [ -0.0002484700000000, 0.0003108300000000, -0.0017411400000000 ] - [ -0.0001407800000000, 0.0002109800000000, -0.0016067300000000 ] - [ -0.0001822700000000, -0.0003693300000000, -0.0020383600000000 ] - [ -0.0001890500000000, -0.0003651000000000, -0.0019206000000000 ] - [ 0.0006658500000000, -0.0004427800000000, 0.0009563000000000 ] - [ -0.0003630900000000, -0.0007724700000000, 0.0001104800000000 ] - [ 0.0001399600000000, 0.0005477400000000, -0.0011235000000000 ] - [ -0.0002725500000000, 0.0001613000000000, -0.0009871800000000 ] - [ -0.0013844200000000, 0.0024923200000000, -0.0001911500000000 ] - [ -0.0010193700000000, 0.0021080800000000, 0.0002246200000000 ] - [ -0.0017424400000000, 0.0015566700000000, -0.0001995600000000 ] - [ -0.0011116700000000, 0.0018304600000000, 0.0002143700000000 ] - [ 0.0000134700000000, -0.0027908400000000, 0.0002924900000000 ] - [ -0.0014569000000000, -0.0021191900000000, 0.0001798700000000 ] - [ -0.0004331500000000, -0.0013199600000000, 0.0002629000000000 ] - [ -0.0014739700000000, -0.0019048400000000, 0.0004556500000000 ] - [ 0.0008696100000000, -0.0006180400000000, 0.0005542500000000 ] - [ 0.0002075200000000, -0.0002467500000000, -0.0001639300000000 ] - [ 0.0004556100000000, -0.0017780000000000, 0.0012756100000000 ] - [ 0.0001412700000000, -0.0017777000000000, 0.0015333300000000 ] - [ 0.0002922200000000, 0.0012899100000000, 0.0009677200000000 ] - [ 0.0008273300000000, 0.0011320400000000, 0.0010124800000000 ] - [ -0.0002541500000000, 0.0016933200000000, 0.0013243000000000 ] - [ 0.0008562700000000, 0.0014046800000000, 0.0008854200000000 ] - [ 0.0050590700000000, -0.0025180400000000, -0.0044786000000000 ] - [ -0.0030837200000000, -0.0053239500000000, -0.0046699700000000 ] - [ -0.0013842300000000, 0.0011326200000000, -0.0003669900000000 ] - [ -0.0003812200000000, 0.0022446900000000, 0.0000004800000000 ] - [ -0.0010282500000000, -0.0019660900000000, 0.0015080700000000 ] - [ -0.0006661100000000, -0.0018442000000000, 0.0013833100000000 ] - [ -0.0016574300000000, -0.0019641200000000, 0.0020703800000000 ] - [ -0.0001037800000000, -0.0020059200000000, 0.0023749700000000 ]- atom: 1 displacement: [ 0.0004071772244389, -0.0000000000853433, -0.0099917068966167 ] forces: - [ -0.0153140900000000, -0.0291849800000000, 0.1739731900000000 ] - [ -0.0005131500000000, 0.0008758700000000, 0.0012909500000000 ] - [ -0.0000941500000000, 0.0007090900000000, -0.0006143100000000 ] - [ -0.0003457500000000, 0.0004458700000000, -0.0008572800000000 ] - [ 0.0005235000000000, 0.0009370800000000, -0.0010789200000000 ] - [ 0.0013135400000000, 0.0005012400000000, -0.0003005000000000 ] - [ -0.0005437400000000, -0.0010424500000000, -0.0003382800000000 ] - [ 0.0007931000000000, -0.0007562400000000, 0.0000414600000000 ] - [ 0.0031360400000000, -0.0019394000000000, 0.0021853900000000 ] - [ -0.0001044000000000, -0.0010549800000000, 0.0007403300000000 ] - [ 0.0024689700000000, 0.0014251900000000, 0.0010918000000000 ] - [ -0.0007679800000000, 0.0005860200000000, 0.0022321600000000 ] - [ -0.0004027100000000, -0.0002188100000000, -0.0018230800000000 ] - [ -0.0004089600000000, -0.0001227200000000, -0.0015500100000000 ] - [ -0.0000754700000000, -0.0010606800000000, -0.0051168400000000 ] - [ -0.0004104000000000, -0.0004307300000000, -0.0020784400000000 ] - [ -0.0004699500000000, 0.0002777300000000, 0.0014478900000000 ] - [ -0.0002683800000000, -0.0004437000000000, 0.0000505600000000 ] - [ -0.0002819900000000, -0.0006009500000000, -0.0001075000000000 ] - [ -0.0002458900000000, -0.0006228700000000, -0.0002445800000000 ] - [ -0.0002788000000000, 0.0005696600000000, -0.0005568600000000 ] - [ -0.0002329400000000, 0.0006062600000000, -0.0004915000000000 ] - [ 0.0160527900000000, 0.0555565200000000, -0.1031890600000000 ] - [ -0.0001301800000000, 0.0007770200000000, -0.0011889700000000 ] - [ 0.0015415600000000, -0.0100684200000000, -0.0093736600000000 ] - [ 0.0003453900000000, -0.0016569800000000, -0.0004960000000000 ] - [ 0.0007062800000000, -0.0015537900000000, -0.0001319800000000 ] - [ 0.0003212100000000, -0.0014810900000000, -0.0001308900000000 ] - [ 0.0005822500000000, 0.0013190500000000, 0.0000822300000000 ] - [ 0.0006109400000000, 0.0012561300000000, 0.0000397500000000 ] - [ 0.0004891300000000, 0.0013462500000000, 0.0004973100000000 ] - [ 0.0006015500000000, 0.0014186300000000, 0.0001042500000000 ] - [ -0.0308469100000000, 0.0011331600000000, -0.0375087700000000 ] - [ -0.0003469200000000, 0.0055559300000000, -0.0015728800000000 ] - [ 0.0009618900000000, 0.0055230600000000, -0.0011207800000000 ] - [ 0.0010060700000000, 0.0056661100000000, -0.0009386900000000 ] - [ 0.0009976400000000, -0.0056997200000000, -0.0005772800000000 ] - [ 0.0011553300000000, -0.0056740900000000, -0.0006919800000000 ] - [ 0.0010538600000000, -0.0058863500000000, 0.0001288100000000 ] - [ 0.0013818700000000, -0.0056059600000000, -0.0005221200000000 ] - [ -0.0002193800000000, -0.0002552900000000, -0.0021150800000000 ] - [ 0.0005628600000000, 0.0006342000000000, -0.0004314800000000 ] - [ -0.0003063900000000, -0.0006767800000000, -0.0008153400000000 ] - [ 0.0003721700000000, 0.0003635000000000, -0.0007649200000000 ] - [ 0.0001651700000000, -0.0002412900000000, 0.0005865700000000 ] - [ 0.0001293200000000, -0.0001912200000000, 0.0003274100000000 ] - [ 0.0002033600000000, 0.0000027600000000, 0.0005190300000000 ] - [ 0.0001701800000000, 0.0000003200000000, 0.0003490200000000 ] - [ 0.0002871300000000, -0.0058661600000000, 0.0005478600000000 ] - [ 0.0000764300000000, -0.0057994200000000, 0.0006454000000000 ] - [ 0.0319018000000000, -0.0281981600000000, -0.0323062200000000 ] - [ 0.0018491500000000, -0.0053724500000000, 0.0000632000000000 ] - [ -0.0001238600000000, 0.0052255800000000, 0.0018421300000000 ] - [ -0.0001161700000000, 0.0057340000000000, 0.0009994400000000 ] - [ 0.0000688800000000, 0.0056206600000000, 0.0009363700000000 ] - [ 0.0000212700000000, 0.0056474100000000, 0.0009065100000000 ] - [ -0.0000157700000000, -0.0005255000000000, -0.0007530400000000 ] - [ -0.0001246700000000, -0.0004249000000000, -0.0008884800000000 ] - [ -0.0000818600000000, 0.0001544200000000, -0.0004573300000000 ] - [ -0.0000770900000000, 0.0001511100000000, -0.0005773400000000 ] - [ -0.0009191700000000, 0.0006508900000000, -0.0034485700000000 ] - [ 0.0000899100000000, 0.0009752000000000, -0.0025954700000000 ] - [ -0.0004052700000000, -0.0003316600000000, -0.0013694500000000 ] - [ 0.0000077300000000, 0.0000553700000000, -0.0015055200000000 ] - [ -0.0008979700000000, 0.0014252100000000, 0.0008930400000000 ] - [ -0.0012685300000000, 0.0018118900000000, 0.0004743900000000 ] - [ -0.0005419700000000, 0.0023652300000000, 0.0009010100000000 ] - [ -0.0011750500000000, 0.0020887300000000, 0.0004848400000000 ] - [ -0.0022930900000000, -0.0011373900000000, 0.0004038900000000 ] - [ -0.0008317500000000, -0.0018014900000000, 0.0005194600000000 ] - [ -0.0018555800000000, -0.0025993100000000, 0.0004357500000000 ] - [ -0.0008144200000000, -0.0020144800000000, 0.0002435600000000 ] - [ -0.0000722200000000, -0.0022940500000000, 0.0017971600000000 ] - [ 0.0005891300000000, -0.0026643500000000, 0.0025185400000000 ] - [ 0.0003410800000000, -0.0011389000000000, 0.0010839000000000 ] - [ 0.0006557600000000, -0.0011383200000000, 0.0008257700000000 ] - [ 0.0005026900000000, 0.0016264600000000, 0.0013935200000000 ] - [ -0.0000286400000000, 0.0017822300000000, 0.0013464900000000 ] - [ 0.0010462800000000, 0.0012264000000000, 0.0010352400000000 ] - [ -0.0000607300000000, 0.0015127900000000, 0.0014749600000000 ] - [ -0.0068051800000000, 0.0061516500000000, 0.0058379700000000 ] - [ 0.0012944900000000, 0.0089571900000000, 0.0060589600000000 ] - [ -0.0003633300000000, 0.0024989800000000, 0.0017396100000000 ] - [ -0.0013672100000000, 0.0013875100000000, 0.0013711100000000 ] - [ -0.0007201700000000, -0.0016662900000000, -0.0001337000000000 ] - [ -0.0010788200000000, -0.0017901100000000, -0.0000103000000000 ] - [ -0.0000916100000000, -0.0016718500000000, -0.0006958800000000 ] - [ -0.0016390100000000, -0.0016312700000000, -0.0009989100000000 ]- atom: 5 displacement: [ 0.0099999999133341, -0.0000000001139357, 0.0000013165557043 ] forces: - [ -0.0014946600000000, -0.0019671500000000, -0.0012287300000000 ] - [ 0.0022014500000000, 0.0014461700000000, -0.0018674000000000 ] - [ -0.0004681900000000, 0.0015528300000000, -0.0001186200000000 ] - [ 0.0008798000000000, -0.0000776800000000, -0.0014000700000000 ] - [ -0.1808097500000000, -0.0011264400000000, -0.0367221700000000 ] - [ 0.0036792600000000, 0.0003011900000000, 0.0010755400000000 ] - [ -0.0005359500000000, 0.0000064500000000, 0.0005183600000000 ] - [ 0.0013956400000000, -0.0001122900000000, 0.0009444200000000 ] - [ -0.0001184000000000, -0.0001249300000000, -0.0000736700000000 ] - [ 0.0016728800000000, -0.0000149800000000, 0.0009928600000000 ] - [ -0.0000262700000000, 0.0001691500000000, 0.0008195600000000 ] - [ 0.0010917900000000, 0.0003290200000000, 0.0009396000000000 ] - [ -0.0008270400000000, 0.0016319500000000, -0.0038299600000000 ] - [ 0.0011108200000000, -0.0018890700000000, -0.0004921900000000 ] - [ -0.0004295600000000, -0.0011941100000000, -0.0031335000000000 ] - [ -0.0003451200000000, 0.0002625700000000, 0.0001124400000000 ] - [ -0.0002818100000000, 0.0000417700000000, 0.0008839500000000 ] - [ -0.0003284400000000, -0.0010881100000000, -0.0010993300000000 ] - [ -0.0000679700000000, -0.0013613300000000, 0.0003731300000000 ] - [ -0.0005475500000000, -0.0003322600000000, -0.0004180400000000 ] - [ -0.0001254500000000, 0.0005239900000000, -0.0007484500000000 ] - [ -0.0004602100000000, 0.0006583700000000, -0.0002437000000000 ] - [ -0.0000308000000000, 0.0009198400000000, -0.0005148000000000 ] - [ -0.0006581400000000, 0.0002503900000000, 0.0001438600000000 ] - [ 0.0002020700000000, -0.0002723500000000, -0.0002321300000000 ] - [ -0.0011905900000000, -0.0020965100000000, 0.0010361700000000 ] - [ 0.0005466800000000, -0.0017622100000000, -0.0002251300000000 ] - [ 0.0004246400000000, -0.0011182100000000, 0.0000551400000000 ] - [ -0.0004738900000000, 0.0005443700000000, 0.0006142000000000 ] - [ 0.0004327700000000, 0.0024135300000000, -0.0006701500000000 ] - [ 0.0003392300000000, 0.0017634200000000, 0.0001428600000000 ] - [ 0.0006440500000000, 0.0012461700000000, -0.0002072500000000 ] - [ 0.0039403700000000, 0.0053925300000000, -0.0005315100000000 ] - [ -0.0002380500000000, 0.0057939700000000, -0.0010929600000000 ] - [ 0.0020638300000000, 0.0050494700000000, -0.0010745200000000 ] - [ 0.0003047900000000, 0.0058087700000000, -0.0009601700000000 ] - [ 0.0024565700000000, -0.0057118000000000, -0.0005684000000000 ] - [ 0.0000952000000000, -0.0056248000000000, -0.0011447000000000 ] - [ 0.0016767000000000, -0.0054278400000000, -0.0004966600000000 ] - [ 0.0005813700000000, -0.0057924000000000, -0.0011096900000000 ] - [ 0.0009182500000000, 0.0012760300000000, 0.0015199800000000 ] - [ -0.0002305000000000, 0.0000911900000000, -0.0003046300000000 ] - [ 0.0002559300000000, 0.0000160600000000, -0.0001741200000000 ] - [ 0.0000162700000000, 0.0000812400000000, -0.0001642800000000 ] - [ 0.0087548600000000, -0.0050549500000000, -0.0041487800000000 ] - [ -0.0004093100000000, -0.0000120000000000, -0.0002182100000000 ] - [ 0.0002635800000000, -0.0001838900000000, -0.0001899500000000 ] - [ -0.0000038100000000, -0.0001199400000000, -0.0001618000000000 ] - [ -0.0002684100000000, -0.0064947600000000, 0.0004537800000000 ] - [ -0.0000271900000000, -0.0051829600000000, 0.0010815800000000 ] - [ 0.0001475800000000, -0.0053121800000000, 0.0008152500000000 ] - [ -0.0015204900000000, -0.0071917100000000, 0.0017006400000000 ] - [ -0.0002616300000000, 0.0058398400000000, 0.0010509100000000 ] - [ 0.0003452500000000, 0.0056772100000000, 0.0005351200000000 ] - [ -0.0002161700000000, 0.0052470700000000, 0.0011957100000000 ] - [ -0.0001846900000000, 0.0062405100000000, 0.0003443500000000 ] - [ 0.0150523300000000, -0.0256356100000000, 0.0027919400000000 ] - [ -0.0007078300000000, 0.0000486000000000, -0.0013911400000000 ] - [ 0.0000459900000000, -0.0002919400000000, -0.0012883100000000 ] - [ -0.0003303300000000, -0.0000298600000000, -0.0012924500000000 ] - [ 0.0002204200000000, 0.0004414100000000, -0.0009597800000000 ] - [ -0.0004701900000000, 0.0001283000000000, -0.0013913900000000 ] - [ 0.0000434300000000, 0.0001473400000000, -0.0012656300000000 ] - [ -0.0003182100000000, -0.0000556400000000, -0.0014059400000000 ] - [ 0.1041473100000000, 0.0016581100000000, 0.0619430900000000 ] - [ -0.0026375200000000, 0.0018712400000000, -0.0002742000000000 ] - [ -0.0006693400000000, 0.0019030600000000, 0.0005383400000000 ] - [ -0.0015335000000000, 0.0019445700000000, 0.0002086700000000 ] - [ -0.0006546200000000, -0.0019650900000000, 0.0006136300000000 ] - [ -0.0016482000000000, -0.0019234900000000, 0.0002374300000000 ] - [ -0.0008960100000000, -0.0019633900000000, 0.0004162300000000 ] - [ -0.0013987500000000, -0.0019956700000000, 0.0002615200000000 ] - [ -0.0006758400000000, -0.0018053600000000, 0.0012708300000000 ] - [ 0.0573077000000000, 0.0245563500000000, -0.0194961500000000 ] - [ 0.0000691200000000, -0.0016246900000000, 0.0013351500000000 ] - [ 0.0007248500000000, -0.0014369100000000, 0.0013108200000000 ] - [ -0.0000517300000000, 0.0016475600000000, 0.0014285800000000 ] - [ 0.0007615300000000, 0.0014161500000000, 0.0016406600000000 ] - [ 0.0002150700000000, 0.0014834900000000, 0.0012247200000000 ] - [ 0.0005868000000000, 0.0014255100000000, 0.0011275700000000 ] - [ -0.0057816100000000, 0.0058505500000000, -0.0094479400000000 ] - [ 0.0010674800000000, 0.0010532700000000, 0.0011661100000000 ] - [ -0.0025160000000000, 0.0017567500000000, 0.0004691300000000 ] - [ 0.0001892200000000, 0.0024653700000000, 0.0008829100000000 ] - [ -0.0035319400000000, 0.0003248400000000, 0.0055644300000000 ] - [ 0.0011029900000000, -0.0014720600000000, 0.0002974200000000 ] - [ -0.0014112700000000, -0.0019650900000000, 0.0010421100000000 ] - [ -0.0001629200000000, -0.0018858900000000, 0.0006578500000000 ]- atom: 5 displacement: [ -0.0099999999133341, 0.0000000001139357, -0.0000013165557043 ] forces: - [ 0.0007667000000000, 0.0025501500000000, -0.0011074800000000 ] - [ -0.0029294600000000, -0.0008629800000000, -0.0004737800000000 ] - [ -0.0002661200000000, -0.0009713100000000, -0.0022219800000000 ] - [ -0.0016102900000000, 0.0006598400000000, -0.0009397500000000 ] - [ 0.1796125600000000, 0.0019595500000000, 0.0336880800000000 ] - [ -0.0026536300000000, -0.0005692700000000, 0.0006160200000000 ] - [ 0.0015586000000000, -0.0002759300000000, 0.0011720400000000 ] - [ -0.0003682400000000, -0.0001560000000000, 0.0007484800000000 ] - [ 0.0011437000000000, 0.0003933000000000, 0.0017758900000000 ] - [ -0.0006438000000000, 0.0002809700000000, 0.0006974100000000 ] - [ 0.0010534200000000, 0.0000982500000000, 0.0008722900000000 ] - [ -0.0000631800000000, -0.0000610300000000, 0.0007518100000000 ] - [ 0.0000822300000000, -0.0022001500000000, 0.0014685900000000 ] - [ -0.0018350500000000, 0.0013261100000000, -0.0018495000000000 ] - [ -0.0003070500000000, 0.0006106500000000, 0.0007838100000000 ] - [ -0.0003821300000000, -0.0008461200000000, -0.0024563700000000 ] - [ -0.0002094700000000, -0.0012674000000000, -0.0016344500000000 ] - [ -0.0001622900000000, -0.0001413600000000, 0.0003428900000000 ] - [ -0.0004248900000000, 0.0001209500000000, -0.0011250400000000 ] - [ 0.0000544200000000, -0.0009024300000000, -0.0003404900000000 ] - [ -0.0003654500000000, 0.0007081900000000, -0.0000103400000000 ] - [ -0.0000309900000000, 0.0005737000000000, -0.0005150100000000 ] - [ -0.0004605200000000, 0.0003122800000000, -0.0002444900000000 ] - [ 0.0001667500000000, 0.0009817600000000, -0.0009022700000000 ] - [ 0.0009492600000000, -0.0024684200000000, 0.0000866600000000 ] - [ 0.0023382500000000, -0.0006426000000000, -0.0011772900000000 ] - [ 0.0006052500000000, -0.0009775600000000, 0.0000808300000000 ] - [ 0.0007260900000000, -0.0016228900000000, -0.0001997500000000 ] - [ 0.0016152900000000, 0.0021867600000000, -0.0007486900000000 ] - [ 0.0007106800000000, 0.0003070600000000, 0.0005371200000000 ] - [ 0.0008123000000000, 0.0009774500000000, -0.0002864000000000 ] - [ 0.0005061300000000, 0.0014942600000000, 0.0000630200000000 ] - [ -0.0018508500000000, 0.0059358400000000, -0.0011365000000000 ] - [ 0.0023284100000000, 0.0055286700000000, -0.0005681600000000 ] - [ 0.0000307700000000, 0.0062680900000000, -0.0005870600000000 ] - [ 0.0017869800000000, 0.0055131300000000, -0.0007004700000000 ] - [ -0.0003473000000000, -0.0056040200000000, -0.0010909600000000 ] - [ 0.0019969400000000, -0.0056997000000000, -0.0005149000000000 ] - [ 0.0004183300000000, -0.0058947500000000, -0.0011614900000000 ] - [ 0.0015094900000000, -0.0055295200000000, -0.0005505300000000 ] - [ -0.0006322000000000, -0.0009689200000000, -0.0017964600000000 ] - [ 0.0005150900000000, 0.0002146300000000, 0.0000387700000000 ] - [ 0.0000288100000000, 0.0002900700000000, -0.0000916900000000 ] - [ 0.0002684900000000, 0.0002243000000000, -0.0001018900000000 ] - [ -0.0085519400000000, 0.0049137500000000, 0.0042204000000000 ] - [ 0.0006934400000000, -0.0002939500000000, -0.0000499300000000 ] - [ 0.0000211100000000, -0.0001215200000000, -0.0000776700000000 ] - [ 0.0002887600000000, -0.0001862800000000, -0.0001060900000000 ] - [ 0.0004404700000000, -0.0049324100000000, 0.0010846300000000 ] - [ 0.0001988800000000, -0.0062442900000000, 0.0004576800000000 ] - [ 0.0000242700000000, -0.0061130900000000, 0.0007240300000000 ] - [ 0.0016915900000000, -0.0042370300000000, -0.0001605400000000 ] - [ 0.0004342900000000, 0.0055863600000000, 0.0004893800000000 ] - [ -0.0001746700000000, 0.0057479500000000, 0.0010059600000000 ] - [ 0.0003896500000000, 0.0061748800000000, 0.0003466400000000 ] - [ 0.0003483700000000, 0.0051830700000000, 0.0011943700000000 ] - [ -0.0151319300000000, 0.0255432300000000, -0.0053221400000000 ] - [ 0.0004390700000000, -0.0002611700000000, -0.0011054800000000 ] - [ -0.0003129500000000, 0.0000802300000000, -0.0012072800000000 ] - [ 0.0000623100000000, -0.0001818800000000, -0.0012037800000000 ] - [ -0.0004879500000000, -0.0002279400000000, -0.0015379300000000 ] - [ 0.0002029000000000, 0.0000865500000000, -0.0011034000000000 ] - [ -0.0003111200000000, 0.0000670100000000, -0.0012302000000000 ] - [ 0.0000506400000000, 0.0002693200000000, -0.0010890900000000 ] - [ -0.1027062900000000, 0.0022399200000000, -0.0582079300000000 ] - [ 0.0003602600000000, 0.0020483100000000, 0.0009743800000000 ] - [ -0.0016100500000000, 0.0020172700000000, 0.0001617400000000 ] - [ -0.0007474500000000, 0.0019754400000000, 0.0004906500000000 ] - [ -0.0016257500000000, -0.0019550100000000, 0.0000812400000000 ] - [ -0.0006343000000000, -0.0019962000000000, 0.0004612000000000 ] - [ -0.0013860600000000, -0.0019563300000000, 0.0002820300000000 ] - [ -0.0008839700000000, -0.0019242700000000, 0.0004367600000000 ] - [ 0.0014653200000000, -0.0011114100000000, 0.0010903600000000 ] - [ -0.0581345900000000, -0.0288180900000000, 0.0231994300000000 ] - [ 0.0007228300000000, -0.0012938800000000, 0.0010278700000000 ] - [ 0.0000675800000000, -0.0014811800000000, 0.0010537700000000 ] - [ 0.0008424500000000, 0.0012720800000000, 0.0009363600000000 ] - [ 0.0000297300000000, 0.0015016000000000, 0.0007148500000000 ] - [ 0.0005766700000000, 0.0014351900000000, 0.0011383600000000 ] - [ 0.0002054300000000, 0.0014928100000000, 0.0012347300000000 ] - [ 0.0040273800000000, -0.0022259000000000, 0.0108403600000000 ] - [ -0.0028169300000000, 0.0025779600000000, 0.0002091400000000 ] - [ 0.0007682100000000, 0.0018763100000000, 0.0009017100000000 ] - [ -0.0019384800000000, 0.0011676100000000, 0.0004903700000000 ] - [ 0.0018254100000000, -0.0039727700000000, -0.0041562300000000 ] - [ -0.0028439200000000, -0.0021590300000000, 0.0010722200000000 ] - [ -0.0003356500000000, -0.0016681900000000, 0.0003318500000000 ] - [ -0.0015850500000000, -0.0017486100000000, 0.0007147000000000 ]- atom: 5 displacement: [ -0.0000000001462832, 0.0100000000000000, 0.0000000001023983 ] forces: - [ -0.0023503200000000, -0.0000524100000000, -0.0023232400000000 ] - [ 0.0010808800000000, 0.0012782400000000, -0.0017489800000000 ] - [ 0.0012494200000000, 0.0001068000000000, -0.0001926200000000 ] - [ -0.0013575100000000, 0.0007442100000000, -0.0005862300000000 ] - [ 0.0003207200000000, -0.1328357100000000, 0.0128211000000000 ] - [ 0.0009477900000000, -0.0008475100000000, 0.0017348700000000 ] - [ 0.0006554400000000, 0.0028941600000000, 0.0006285300000000 ] - [ 0.0005356000000000, 0.0005967400000000, 0.0007697600000000 ] - [ 0.0007738100000000, -0.0001615200000000, 0.0003205500000000 ] - [ 0.0006623800000000, -0.0002663000000000, 0.0004493800000000 ] - [ 0.0004782500000000, 0.0008303600000000, 0.0008759500000000 ] - [ 0.0003191600000000, 0.0004970600000000, 0.0008137600000000 ] - [ 0.0022928800000000, -0.0018166900000000, -0.0031501500000000 ] - [ -0.0034685900000000, -0.0013457100000000, -0.0024926500000000 ] - [ -0.0009755900000000, 0.0010897600000000, 0.0000902600000000 ] - [ -0.0000552300000000, 0.0007711200000000, -0.0007042700000000 ] - [ 0.0000592900000000, -0.0013474700000000, -0.0012957500000000 ] - [ -0.0003689500000000, -0.0009778900000000, -0.0008140600000000 ] - [ -0.0015472600000000, -0.0006890900000000, 0.0004812000000000 ] - [ 0.0008488400000000, -0.0007124800000000, -0.0001462000000000 ] - [ -0.0003752300000000, 0.0008389200000000, -0.0007090000000000 ] - [ -0.0000567800000000, 0.0007234600000000, -0.0006156900000000 ] - [ -0.0000080000000000, 0.0004137900000000, 0.0000604100000000 ] - [ -0.0004998500000000, 0.0002676200000000, 0.0000196700000000 ] - [ 0.0009021000000000, -0.0010431000000000, -0.0001321000000000 ] - [ -0.0006157600000000, -0.0019757700000000, 0.0006882100000000 ] - [ 0.0001882600000000, -0.0016294400000000, -0.0001916700000000 ] - [ 0.0007169800000000, -0.0016700300000000, -0.0002182700000000 ] - [ 0.0001161900000000, 0.0022716900000000, 0.0000203100000000 ] - [ 0.0018884400000000, 0.0031603800000000, 0.0007741900000000 ] - [ 0.0008190300000000, 0.0007818900000000, -0.0001712400000000 ] - [ 0.0006190200000000, 0.0007805600000000, -0.0000833900000000 ] - [ 0.0028496400000000, 0.0055128200000000, 0.0000558200000000 ] - [ 0.0005052900000000, 0.0056759200000000, -0.0009186600000000 ] - [ 0.0003302300000000, 0.0056571000000000, -0.0014185800000000 ] - [ 0.0013379500000000, 0.0055498800000000, -0.0008256900000000 ] - [ -0.0000546800000000, -0.0051203600000000, 0.0002762700000000 ] - [ 0.0018263100000000, -0.0053689300000000, -0.0005519300000000 ] - [ 0.0008939100000000, -0.0060259700000000, -0.0009496100000000 ] - [ 0.0008105900000000, -0.0058470500000000, -0.0009595200000000 ] - [ 0.0005546500000000, 0.0007408400000000, 0.0011870800000000 ] - [ 0.0001172700000000, 0.0002798500000000, 0.0000266800000000 ] - [ 0.0000806000000000, -0.0002113600000000, -0.0002891600000000 ] - [ 0.0001183900000000, -0.0000182800000000, -0.0001535900000000 ] - [ -0.0060564100000000, 0.0288585700000000, 0.0272575000000000 ] - [ 0.0001158000000000, 0.0000710800000000, -0.0003744400000000 ] - [ 0.0004258400000000, -0.0013359300000000, -0.0001906800000000 ] - [ 0.0002008500000000, -0.0004463800000000, -0.0001096700000000 ] - [ -0.0001568800000000, -0.0056284100000000, 0.0007685400000000 ] - [ 0.0006887000000000, -0.0061338700000000, 0.0004665700000000 ] - [ 0.0005174600000000, -0.0057091700000000, 0.0007724900000000 ] - [ -0.0008128100000000, -0.0063651800000000, 0.0011056200000000 ] - [ 0.0004031700000000, 0.0055106700000000, 0.0005683700000000 ] - [ -0.0000986300000000, 0.0053145100000000, 0.0008130400000000 ] - [ -0.0004969600000000, 0.0059743400000000, 0.0010425800000000 ] - [ 0.0019445500000000, 0.0051041100000000, 0.0020110300000000 ] - [ -0.0242157200000000, 0.0827561300000000, -0.0104120700000000 ] - [ -0.0002470200000000, 0.0004128500000000, -0.0015033100000000 ] - [ 0.0002157800000000, -0.0014590800000000, -0.0013676000000000 ] - [ -0.0000785900000000, -0.0004731400000000, -0.0012238500000000 ] - [ -0.0000905000000000, 0.0002790600000000, -0.0009558300000000 ] - [ -0.0001045700000000, 0.0002850900000000, -0.0010845000000000 ] - [ -0.0001722900000000, -0.0002268600000000, -0.0013675500000000 ] - [ -0.0001472200000000, -0.0000379600000000, -0.0012587700000000 ] - [ -0.0016678000000000, 0.0093269600000000, -0.0001575100000000 ] - [ -0.0015661800000000, 0.0021302700000000, -0.0000808900000000 ] - [ -0.0012308500000000, 0.0013867300000000, 0.0003164500000000 ] - [ -0.0011443200000000, 0.0017735300000000, 0.0003431700000000 ] - [ -0.0009534900000000, -0.0018208900000000, 0.0001692100000000 ] - [ -0.0011361600000000, -0.0018439600000000, 0.0004969500000000 ] - [ -0.0011572700000000, -0.0021487900000000, 0.0003746100000000 ] - [ -0.0010289700000000, -0.0020654400000000, 0.0004162700000000 ] - [ 0.0003597200000000, -0.0012950300000000, 0.0009390800000000 ] - [ 0.0299196900000000, 0.0207549000000000, -0.0131590600000000 ] - [ 0.0003004700000000, -0.0016312100000000, 0.0012820200000000 ] - [ 0.0000763100000000, -0.0022725200000000, 0.0013275400000000 ] - [ 0.0002852300000000, 0.0017179700000000, 0.0014697400000000 ] - [ -0.0002471700000000, 0.0019199100000000, 0.0005234600000000 ] - [ 0.0005065200000000, 0.0012841900000000, 0.0010613200000000 ] - [ 0.0005001300000000, 0.0011629500000000, 0.0010669400000000 ] - [ -0.0014299900000000, 0.0046785900000000, -0.0057805900000000 ] - [ -0.0008026000000000, 0.0014600300000000, 0.0006291900000000 ] - [ -0.0012709100000000, 0.0029296100000000, 0.0016531900000000 ] - [ -0.0008293900000000, 0.0020628700000000, 0.0007566800000000 ] - [ 0.0004880500000000, -0.0137873100000000, -0.0113839900000000 ] - [ -0.0010556600000000, -0.0025952300000000, 0.0007210200000000 ] - [ -0.0009294500000000, -0.0001662900000000, 0.0009338100000000 ] - [ -0.0009860500000000, -0.0012123400000000, 0.0006721600000000 ]- atom: 5 displacement: [ 0.0000000001462832, -0.0100000000000000, -0.0000000001023983 ] forces: - [ 0.0016303600000000, 0.0006426800000000, -0.0000145300000000 ] - [ -0.0018074900000000, -0.0006900400000000, -0.0005946100000000 ] - [ -0.0019685700000000, 0.0004686800000000, -0.0021430500000000 ] - [ 0.0006204900000000, -0.0001616200000000, -0.0017517800000000 ] - [ 0.0033710600000000, 0.1290036700000000, -0.0094660500000000 ] - [ 0.0000776500000000, 0.0005764000000000, -0.0000390000000000 ] - [ 0.0003730800000000, -0.0031690400000000, 0.0010652500000000 ] - [ 0.0004919400000000, -0.0008644200000000, 0.0009226200000000 ] - [ 0.0002554400000000, 0.0004323800000000, 0.0013687100000000 ] - [ 0.0003661200000000, 0.0005340200000000, 0.0012404400000000 ] - [ 0.0005492300000000, -0.0005624500000000, 0.0008160900000000 ] - [ 0.0007092500000000, -0.0002298800000000, 0.0008769500000000 ] - [ -0.0030159200000000, 0.0012197800000000, 0.0007975400000000 ] - [ 0.0027358300000000, 0.0007586900000000, 0.0001500700000000 ] - [ 0.0002438900000000, -0.0016752400000000, -0.0024452400000000 ] - [ -0.0006772500000000, -0.0013497400000000, -0.0016362800000000 ] - [ -0.0005562400000000, 0.0001246500000000, 0.0005497100000000 ] - [ -0.0001215700000000, -0.0002531200000000, 0.0000556700000000 ] - [ 0.0010446200000000, -0.0005415600000000, -0.0012303700000000 ] - [ -0.0013390700000000, -0.0005172300000000, -0.0006090100000000 ] - [ -0.0001179000000000, 0.0003933300000000, -0.0000502600000000 ] - [ -0.0004338400000000, 0.0005074300000000, -0.0001430200000000 ] - [ -0.0004857600000000, 0.0008147900000000, -0.0008185800000000 ] - [ 0.0000073200000000, 0.0009605400000000, -0.0007751200000000 ] - [ 0.0002488300000000, -0.0017020800000000, -0.0000129100000000 ] - [ 0.0017598400000000, -0.0007667300000000, -0.0008279200000000 ] - [ 0.0009598700000000, -0.0011106400000000, 0.0000465200000000 ] - [ 0.0004352400000000, -0.0010710500000000, 0.0000727200000000 ] - [ 0.0010346300000000, 0.0004733000000000, -0.0001656000000000 ] - [ -0.0007363500000000, -0.0004132200000000, -0.0009132500000000 ] - [ 0.0003304400000000, 0.0019592300000000, 0.0000280500000000 ] - [ 0.0005341000000000, 0.0019575900000000, -0.0000610300000000 ] - [ -0.0007601100000000, 0.0058030800000000, -0.0017235800000000 ] - [ 0.0015850600000000, 0.0056450900000000, -0.0007420800000000 ] - [ 0.0017540000000000, 0.0056636700000000, -0.0002492400000000 ] - [ 0.0007555900000000, 0.0057714700000000, -0.0008345600000000 ] - [ 0.0021497800000000, -0.0061962800000000, -0.0019335300000000 ] - [ 0.0002658600000000, -0.0059518600000000, -0.0011086100000000 ] - [ 0.0011988200000000, -0.0052963300000000, -0.0007076500000000 ] - [ 0.0012804900000000, -0.0054754000000000, -0.0007011100000000 ] - [ -0.0002686900000000, -0.0004363100000000, -0.0014491500000000 ] - [ 0.0001677200000000, 0.0000258900000000, -0.0002918600000000 ] - [ 0.0002042600000000, 0.0005163800000000, 0.0000219000000000 ] - [ 0.0001664400000000, 0.0003235400000000, -0.0001127800000000 ] - [ 0.0063781300000000, -0.0291261200000000, -0.0280670500000000 ] - [ 0.0001696100000000, -0.0003776900000000, 0.0001053700000000 ] - [ -0.0001415600000000, 0.0010303200000000, -0.0000750900000000 ] - [ 0.0000843100000000, 0.0001397500000000, -0.0001584600000000 ] - [ 0.0003274900000000, -0.0057953500000000, 0.0007717500000000 ] - [ -0.0005114300000000, -0.0052949400000000, 0.0010693500000000 ] - [ -0.0003467600000000, -0.0057188200000000, 0.0007669400000000 ] - [ 0.0009825400000000, -0.0050677600000000, 0.0004354600000000 ] - [ -0.0002325500000000, 0.0059146800000000, 0.0009736900000000 ] - [ 0.0002725300000000, 0.0061095100000000, 0.0007278700000000 ] - [ 0.0006671700000000, 0.0054542200000000, 0.0004981900000000 ] - [ -0.0017699000000000, 0.0063229700000000, -0.0004712300000000 ] - [ 0.0225027100000000, -0.0793525000000000, 0.0068004600000000 ] - [ -0.0000207200000000, -0.0006236600000000, -0.0009934600000000 ] - [ -0.0004853100000000, 0.0012536800000000, -0.0011262800000000 ] - [ -0.0001894700000000, 0.0002605700000000, -0.0012725700000000 ] - [ -0.0001769300000000, -0.0000669300000000, -0.0015399100000000 ] - [ -0.0001626300000000, -0.0000712800000000, -0.0014099700000000 ] - [ -0.0000949600000000, 0.0004409600000000, -0.0011288700000000 ] - [ -0.0001200800000000, 0.0002522200000000, -0.0012363700000000 ] - [ -0.0012100100000000, -0.0053833800000000, 0.0004791800000000 ] - [ -0.0007128800000000, 0.0017897500000000, 0.0007807000000000 ] - [ -0.0010502200000000, 0.0025332300000000, 0.0003831500000000 ] - [ -0.0011359300000000, 0.0021456500000000, 0.0003570600000000 ] - [ -0.0013268600000000, -0.0020988100000000, 0.0005292000000000 ] - [ -0.0011457300000000, -0.0020757200000000, 0.0002027200000000 ] - [ -0.0011247300000000, -0.0017711800000000, 0.0003248100000000 ] - [ -0.0012526000000000, -0.0018544100000000, 0.0002831900000000 ] - [ 0.0004338800000000, -0.0016227900000000, 0.0014233100000000 ] - [ -0.0297583500000000, -0.0237454500000000, 0.0159292200000000 ] - [ 0.0004917500000000, -0.0012874100000000, 0.0010808000000000 ] - [ 0.0007169800000000, -0.0006460400000000, 0.0010340800000000 ] - [ 0.0005072700000000, 0.0012002600000000, 0.0008929100000000 ] - [ 0.0010380200000000, 0.0009997300000000, 0.0018385100000000 ] - [ 0.0002855500000000, 0.0016342900000000, 0.0013016200000000 ] - [ 0.0002927900000000, 0.0017546700000000, 0.0012953200000000 ] - [ -0.0003356100000000, -0.0010288300000000, 0.0071421600000000 ] - [ -0.0009470800000000, 0.0021748100000000, 0.0007413900000000 ] - [ -0.0004810900000000, 0.0007064200000000, -0.0002764800000000 ] - [ -0.0009191800000000, 0.0015680200000000, 0.0006158500000000 ] - [ -0.0022415200000000, 0.0101118400000000, 0.0127268400000000 ] - [ -0.0006942600000000, -0.0010422300000000, 0.0006525500000000 ] - [ -0.0008210200000000, -0.0034668000000000, 0.0004319300000000 ] - [ -0.0007598900000000, -0.0024215000000000, 0.0006997100000000 ]- atom: 5 displacement: [ -0.0004071772244389, 0.0000000000853433, 0.0099917068966167 ] forces: - [ 0.0014160400000000, -0.0006368900000000, 0.0008273600000000 ] - [ -0.0017715000000000, -0.0004482500000000, -0.0000508300000000 ] - [ 0.0000706700000000, 0.0008453000000000, -0.0000121400000000 ] - [ -0.0009945100000000, 0.0004261800000000, -0.0003774300000000 ] - [ -0.0277262700000000, 0.0122301400000000, -0.1568769000000000 ] - [ 0.0006142600000000, 0.0007337700000000, -0.0013744500000000 ] - [ 0.0002293600000000, -0.0003586800000000, -0.0001282500000000 ] - [ 0.0005756800000000, -0.0002111800000000, 0.0003176700000000 ] - [ -0.0003846800000000, 0.0006622300000000, 0.0071129000000000 ] - [ 0.0006142700000000, 0.0005346200000000, 0.0021393100000000 ] - [ 0.0005094600000000, 0.0001036800000000, 0.0018937800000000 ] - [ 0.0005842000000000, 0.0001576500000000, 0.0014073100000000 ] - [ -0.0034056300000000, -0.0017243800000000, -0.0025274900000000 ] - [ 0.0014938300000000, -0.0025231300000000, -0.0010152900000000 ] - [ -0.0015888800000000, 0.0004938200000000, -0.0013863300000000 ] - [ 0.0009964700000000, -0.0003109500000000, -0.0025539200000000 ] - [ 0.0003047200000000, -0.0011235600000000, 0.0000628100000000 ] - [ -0.0005211400000000, -0.0003198300000000, 0.0004658800000000 ] - [ 0.0002494200000000, -0.0001442600000000, 0.0005586500000000 ] - [ -0.0007609200000000, -0.0000923600000000, 0.0000781500000000 ] - [ -0.0002928500000000, 0.0005982200000000, -0.0008989100000000 ] - [ -0.0001684300000000, 0.0006927000000000, -0.0007457500000000 ] - [ -0.0003675800000000, 0.0009992100000000, -0.0012120300000000 ] - [ -0.0000109400000000, 0.0009424300000000, -0.0009899800000000 ] - [ 0.0000687600000000, -0.0011555200000000, -0.0002437200000000 ] - [ 0.0013928000000000, -0.0009566700000000, -0.0005954800000000 ] - [ 0.0004718600000000, -0.0016122100000000, -0.0002171000000000 ] - [ 0.0006249700000000, -0.0015541500000000, -0.0002049200000000 ] - [ 0.0018147000000000, 0.0014899900000000, -0.0001532200000000 ] - [ -0.0019180100000000, 0.0029209800000000, -0.0001490500000000 ] - [ 0.0008263500000000, 0.0012131800000000, -0.0000414000000000 ] - [ 0.0003233200000000, 0.0013290100000000, 0.0001343700000000 ] - [ -0.0005231900000000, 0.0063911900000000, -0.0020424000000000 ] - [ 0.0013961000000000, 0.0056871700000000, -0.0008840300000000 ] - [ 0.0012150800000000, 0.0053062900000000, -0.0012796200000000 ] - [ 0.0010973900000000, 0.0056233500000000, -0.0009086900000000 ] - [ 0.0032172700000000, -0.0040357500000000, -0.0010369100000000 ] - [ 0.0001855700000000, -0.0055538800000000, -0.0011077900000000 ] - [ 0.0012927600000000, -0.0060904900000000, -0.0006352700000000 ] - [ 0.0008390900000000, -0.0056708900000000, -0.0006966800000000 ] - [ 0.0001226400000000, 0.0006287200000000, -0.0032999000000000 ] - [ 0.0000736100000000, 0.0000976100000000, -0.0007124800000000 ] - [ 0.0002008700000000, 0.0002470500000000, -0.0005380900000000 ] - [ 0.0001393300000000, 0.0002259700000000, -0.0003273200000000 ] - [ -0.0088718000000000, 0.0347356600000000, 0.0641095400000000 ] - [ 0.0001890800000000, -0.0002940800000000, 0.0006599800000000 ] - [ 0.0000733400000000, 0.0000931700000000, 0.0001952800000000 ] - [ 0.0001273600000000, -0.0000435000000000, 0.0000600700000000 ] - [ -0.0001304900000000, -0.0061251900000000, 0.0005579800000000 ] - [ 0.0002845800000000, -0.0059683800000000, 0.0003970400000000 ] - [ -0.0003828000000000, -0.0054405400000000, 0.0007455000000000 ] - [ 0.0011184700000000, -0.0050145400000000, 0.0000890200000000 ] - [ 0.0004110300000000, 0.0056185100000000, 0.0007484700000000 ] - [ -0.0005155900000000, 0.0051366800000000, 0.0012994100000000 ] - [ 0.0006685200000000, 0.0059824600000000, 0.0006793800000000 ] - [ -0.0003213100000000, 0.0060801400000000, 0.0007962000000000 ] - [ 0.0053959600000000, -0.0162665000000000, 0.0127616200000000 ] - [ 0.0000941200000000, -0.0004618600000000, -0.0004115700000000 ] - [ 0.0000113600000000, -0.0001540500000000, -0.0007844900000000 ] - [ -0.0000848200000000, -0.0000830000000000, -0.0009896500000000 ] - [ -0.0002267900000000, -0.0001724700000000, -0.0028019000000000 ] - [ -0.0003020100000000, -0.0000693100000000, -0.0017588700000000 ] - [ -0.0001652700000000, 0.0000908300000000, -0.0018036400000000 ] - [ -0.0002062700000000, 0.0000650000000000, -0.0015600800000000 ] - [ 0.0555959900000000, 0.0016235800000000, 0.0436104800000000 ] - [ -0.0007932900000000, 0.0017752600000000, 0.0010291300000000 ] - [ -0.0009103000000000, 0.0020250400000000, 0.0007311300000000 ] - [ -0.0010749900000000, 0.0020104400000000, 0.0005193400000000 ] - [ -0.0014101800000000, -0.0020374400000000, -0.0015084100000000 ] - [ -0.0014161300000000, -0.0020422800000000, -0.0000636100000000 ] - [ -0.0012449100000000, -0.0018978500000000, 0.0000054200000000 ] - [ -0.0012683100000000, -0.0019326700000000, 0.0001589800000000 ] - [ 0.0000152900000000, -0.0017825100000000, 0.0016354700000000 ] - [ -0.0294866500000000, -0.0188265200000000, 0.0231343600000000 ] - [ 0.0003109100000000, -0.0015792600000000, 0.0014314000000000 ] - [ 0.0003635600000000, -0.0015757100000000, 0.0017196300000000 ] - [ 0.0005858100000000, 0.0011319500000000, 0.0006395500000000 ] - [ 0.0010518700000000, 0.0003890800000000, -0.0024577700000000 ] - [ 0.0004502000000000, 0.0013721800000000, 0.0009663500000000 ] - [ 0.0004894900000000, 0.0012728100000000, 0.0007696300000000 ] - [ -0.0017937100000000, -0.0020990400000000, 0.0085766500000000 ] - [ -0.0003188700000000, 0.0017087100000000, 0.0012510800000000 ] - [ -0.0012567300000000, 0.0024696300000000, 0.0007793600000000 ] - [ -0.0005320900000000, 0.0022093100000000, 0.0008149500000000 ] - [ 0.0061615800000000, -0.0136229400000000, 0.0117783600000000 ] - [ -0.0015569300000000, -0.0015846600000000, 0.0005929200000000 ] - [ -0.0005481800000000, -0.0010236700000000, 0.0004998000000000 ] - [ -0.0011064200000000, -0.0017499400000000, 0.0006220800000000 ]- atom: 5 displacement: [ 0.0004071772244389, -0.0000000000853433, -0.0099917068966167 ] forces: - [ -0.0021440000000000, 0.0012202800000000, -0.0031712100000000 ] - [ 0.0010446400000000, 0.0010303000000000, -0.0022958600000000 ] - [ -0.0007944000000000, -0.0002641000000000, -0.0023304700000000 ] - [ 0.0002589000000000, 0.0001575200000000, -0.0019626900000000 ] - [ 0.0278795200000000, -0.0101168500000000, 0.1612776200000000 ] - [ 0.0004122700000000, -0.0010033300000000, 0.0030714300000000 ] - [ 0.0007967200000000, 0.0000888400000000, 0.0018187200000000 ] - [ 0.0004512700000000, -0.0000568600000000, 0.0013748000000000 ] - [ 0.0014136300000000, -0.0004061300000000, -0.0054100400000000 ] - [ 0.0004138700000000, -0.0002678100000000, -0.0004508700000000 ] - [ 0.0005185500000000, 0.0001662600000000, -0.0002026800000000 ] - [ 0.0004438600000000, 0.0001105400000000, 0.0002833700000000 ] - [ 0.0026794300000000, 0.0011535600000000, 0.0001959900000000 ] - [ -0.0022221200000000, 0.0019501400000000, -0.0013196100000000 ] - [ 0.0008590000000000, -0.0010775900000000, -0.0009542800000000 ] - [ -0.0017298000000000, -0.0002720800000000, 0.0002153600000000 ] - [ -0.0008014300000000, -0.0000999600000000, -0.0008214000000000 ] - [ 0.0000301900000000, -0.0009080200000000, -0.0012225300000000 ] - [ -0.0007401000000000, -0.0010868500000000, -0.0013194400000000 ] - [ 0.0002661000000000, -0.0011368500000000, -0.0008362000000000 ] - [ -0.0002010000000000, 0.0006297200000000, 0.0001440400000000 ] - [ -0.0003230400000000, 0.0005357400000000, -0.0000098800000000 ] - [ -0.0001255300000000, 0.0002289700000000, 0.0004576300000000 ] - [ -0.0004816800000000, 0.0002858300000000, 0.0002361200000000 ] - [ 0.0010809400000000, -0.0015845100000000, 0.0001001600000000 ] - [ -0.0002439800000000, -0.0017814500000000, 0.0004561200000000 ] - [ 0.0006771200000000, -0.0011278700000000, 0.0000731100000000 ] - [ 0.0005265300000000, -0.0011872700000000, 0.0000601500000000 ] - [ -0.0006731300000000, 0.0012443100000000, 0.0000111700000000 ] - [ 0.0030721600000000, -0.0001939100000000, 0.0000048400000000 ] - [ 0.0003244900000000, 0.0015266800000000, -0.0001032500000000 ] - [ 0.0008280000000000, 0.0014111300000000, -0.0002794900000000 ] - [ 0.0026156100000000, 0.0049322100000000, 0.0003804200000000 ] - [ 0.0006950800000000, 0.0056349900000000, -0.0007763700000000 ] - [ 0.0008733500000000, 0.0060117900000000, -0.0003848100000000 ] - [ 0.0009966200000000, 0.0056981900000000, -0.0007514900000000 ] - [ -0.0011254300000000, -0.0072898600000000, -0.0006266900000000 ] - [ 0.0019068300000000, -0.0057689300000000, -0.0005533700000000 ] - [ 0.0007986300000000, -0.0052298100000000, -0.0010253500000000 ] - [ 0.0012528100000000, -0.0056508500000000, -0.0009644400000000 ] - [ 0.0001670600000000, -0.0003106600000000, 0.0030265500000000 ] - [ 0.0002120700000000, 0.0002079400000000, 0.0004476900000000 ] - [ 0.0000847600000000, 0.0000576600000000, 0.0002723500000000 ] - [ 0.0001464100000000, 0.0000791100000000, 0.0000611600000000 ] - [ 0.0094759400000000, -0.0368272100000000, -0.0675549600000000 ] - [ 0.0000964100000000, -0.0000118200000000, -0.0009301700000000 ] - [ 0.0002120000000000, -0.0003980400000000, -0.0004638400000000 ] - [ 0.0001585100000000, -0.0002625300000000, -0.0003286600000000 ] - [ 0.0003008000000000, -0.0052994300000000, 0.0009822100000000 ] - [ -0.0001093000000000, -0.0054602500000000, 0.0011390400000000 ] - [ 0.0005541800000000, -0.0059851200000000, 0.0007943800000000 ] - [ -0.0009507800000000, -0.0064161600000000, 0.0014539400000000 ] - [ -0.0002388300000000, 0.0058080000000000, 0.0007900700000000 ] - [ 0.0006904800000000, 0.0062921300000000, 0.0002392700000000 ] - [ -0.0004971300000000, 0.0054416200000000, 0.0008591500000000 ] - [ 0.0004929500000000, 0.0053446000000000, 0.0007388800000000 ] - [ -0.0056237600000000, 0.0158981600000000, -0.0150891800000000 ] - [ -0.0003629800000000, 0.0002495400000000, -0.0020864600000000 ] - [ -0.0002792700000000, -0.0000568100000000, -0.0017118000000000 ] - [ -0.0001831700000000, -0.0001294900000000, -0.0015068100000000 ] - [ -0.0000393600000000, 0.0003917700000000, 0.0003068000000000 ] - [ 0.0000345900000000, 0.0002844500000000, -0.0007353600000000 ] - [ -0.0001026600000000, 0.0001222700000000, -0.0006915100000000 ] - [ -0.0000611900000000, 0.0001491000000000, -0.0009347200000000 ] - [ -0.0565623900000000, 0.0022796800000000, -0.0427046500000000 ] - [ -0.0014855400000000, 0.0021442400000000, -0.0003296500000000 ] - [ -0.0013691500000000, 0.0018946700000000, -0.0000299100000000 ] - [ -0.0012046200000000, 0.0019089300000000, 0.0001813500000000 ] - [ -0.0008720300000000, -0.0018798600000000, 0.0022060300000000 ] - [ -0.0008646900000000, -0.0018768900000000, 0.0007638300000000 ] - [ -0.0010366200000000, -0.0020221900000000, 0.0006942600000000 ] - [ -0.0010128100000000, -0.0019868500000000, 0.0005406700000000 ] - [ 0.0007766000000000, -0.0011352600000000, 0.0007265100000000 ] - [ 0.0295520500000000, 0.0154225300000000, -0.0206042200000000 ] - [ 0.0004812000000000, -0.0013395900000000, 0.0009317800000000 ] - [ 0.0004284100000000, -0.0013435000000000, 0.0006449500000000 ] - [ 0.0002056800000000, 0.0017871000000000, 0.0017238300000000 ] - [ -0.0002601200000000, 0.0025313800000000, 0.0048221100000000 ] - [ 0.0003417900000000, 0.0015464400000000, 0.0013962000000000 ] - [ 0.0003028500000000, 0.0016452800000000, 0.0015922000000000 ] - [ 0.0000191700000000, 0.0057110300000000, -0.0072157800000000 ] - [ -0.0014296900000000, 0.0019240000000000, 0.0001184400000000 ] - [ -0.0004927800000000, 0.0011673500000000, 0.0005911100000000 ] - [ -0.0012168600000000, 0.0014226500000000, 0.0005562500000000 ] - [ -0.0079611300000000, 0.0100703100000000, -0.0104782600000000 ] - [ -0.0001868600000000, -0.0020484800000000, 0.0007799400000000 ] - [ -0.0011992400000000, -0.0026131600000000, 0.0008750900000000 ] - [ -0.0006414300000000, -0.0018847300000000, 0.0007513000000000 ]- atom: 17 displacement: [ 0.0099999999133341, -0.0000000001139357, 0.0000013165557043 ] forces: - [ -0.0000687100000000, 0.0002584100000000, -0.0009387600000000 ] - [ -0.0007223400000000, 0.0002680600000000, -0.0011626700000000 ] - [ -0.0001315900000000, 0.0003269500000000, -0.0011247700000000 ] - [ -0.0005908200000000, 0.0002785000000000, -0.0011787800000000 ] - [ 0.0004817800000000, 0.0001737800000000, 0.0013995200000000 ] - [ 0.0004316300000000, -0.0002572800000000, 0.0005676400000000 ] - [ 0.0006904900000000, -0.0014257800000000, 0.0013498200000000 ] - [ 0.0002151900000000, 0.0009627600000000, 0.0003211400000000 ] - [ 0.0006341400000000, 0.0002623700000000, 0.0008030400000000 ] - [ 0.0003007200000000, -0.0000557800000000, 0.0009134400000000 ] - [ 0.0007296200000000, -0.0001067000000000, 0.0007314900000000 ] - [ 0.0001035800000000, 0.0003857800000000, 0.0010630000000000 ] - [ 0.0000253100000000, -0.0003236600000000, -0.0011211700000000 ] - [ -0.0006652400000000, -0.0001572000000000, -0.0011938300000000 ] - [ 0.0098986400000000, -0.0096580600000000, -0.0172570600000000 ] - [ -0.0013909900000000, -0.0002383200000000, -0.0013248300000000 ] - [ -0.0150233600000000, 0.0102705700000000, 0.0179827000000000 ] - [ -0.0000088200000000, -0.0006223900000000, -0.0003935400000000 ] - [ -0.0003403800000000, -0.0006276300000000, -0.0003547000000000 ] - [ -0.0001743800000000, -0.0006554600000000, -0.0004066900000000 ] - [ -0.0002928900000000, 0.0006110600000000, -0.0003899500000000 ] - [ -0.0002011300000000, 0.0006201100000000, -0.0003941700000000 ] - [ -0.0003148800000000, 0.0006284300000000, -0.0004522800000000 ] - [ -0.0001708100000000, 0.0006302500000000, -0.0004065800000000 ] - [ 0.0004522700000000, -0.0013942100000000, -0.0000988600000000 ] - [ 0.0007000100000000, -0.0013581800000000, -0.0000885900000000 ] - [ 0.0004635100000000, -0.0014103100000000, -0.0000666300000000 ] - [ 0.0006765500000000, -0.0013585100000000, -0.0000902300000000 ] - [ 0.0004416800000000, 0.0014724800000000, -0.0000762600000000 ] - [ 0.0008013600000000, 0.0012822400000000, -0.0000863100000000 ] - [ -0.0004114700000000, -0.0012225000000000, -0.0014326500000000 ] - [ 0.0009343600000000, 0.0013384900000000, -0.0000295900000000 ] - [ 0.0010575400000000, 0.0056557400000000, -0.0011971800000000 ] - [ 0.0011893600000000, 0.0056436700000000, -0.0007947000000000 ] - [ 0.0009377100000000, 0.0056830200000000, -0.0008838600000000 ] - [ 0.0011661000000000, 0.0056268700000000, -0.0007926900000000 ] - [ 0.0008110600000000, -0.0057374100000000, -0.0008559100000000 ] - [ 0.0012022500000000, -0.0056434500000000, -0.0007861500000000 ] - [ 0.0020169600000000, -0.0039396500000000, 0.0037480500000000 ] - [ 0.0017064500000000, -0.0055809900000000, -0.0006791900000000 ] - [ 0.0001178600000000, 0.0001115000000000, -0.0001301800000000 ] - [ 0.0001671400000000, 0.0002205400000000, -0.0001679500000000 ] - [ 0.0001216400000000, 0.0001865700000000, -0.0001321500000000 ] - [ 0.0001781200000000, 0.0001305800000000, -0.0001972400000000 ] - [ 0.0008337700000000, -0.0011980600000000, 0.0002034800000000 ] - [ 0.0001242300000000, -0.0000163400000000, -0.0000381800000000 ] - [ 0.0000930300000000, 0.0001762200000000, -0.0001272500000000 ] - [ 0.0002393000000000, -0.0003887800000000, -0.0001411200000000 ] - [ -0.0000103300000000, -0.0057418200000000, 0.0007953600000000 ] - [ 0.0001802500000000, -0.0057040000000000, 0.0007391000000000 ] - [ -0.0000218200000000, -0.0057233200000000, 0.0008961300000000 ] - [ 0.0002281100000000, -0.0057274500000000, 0.0007342200000000 ] - [ 0.0026261600000000, 0.0045746100000000, -0.0048294200000000 ] - [ 0.0005389200000000, 0.0057001100000000, 0.0007295000000000 ] - [ 0.0000162100000000, 0.0056783600000000, 0.0007978900000000 ] - [ 0.0001732700000000, 0.0057079100000000, 0.0007569900000000 ] - [ -0.0000965800000000, -0.0003083200000000, -0.0013973900000000 ] - [ -0.0001333200000000, -0.0000701800000000, -0.0012085700000000 ] - [ 0.0018550300000000, 0.0014547000000000, -0.0014906400000000 ] - [ 0.0007464200000000, -0.0012020100000000, -0.0009590900000000 ] - [ -0.0001450800000000, 0.0000441000000000, -0.0011724100000000 ] - [ -0.0000978300000000, 0.0002230900000000, -0.0014073100000000 ] - [ -0.0001426700000000, 0.0001507800000000, -0.0012205700000000 ] - [ -0.0001167800000000, 0.0000136400000000, -0.0013291000000000 ] - [ -0.0012008500000000, 0.0018616200000000, 0.0002064200000000 ] - [ -0.0010734900000000, 0.0019709400000000, 0.0004121000000000 ] - [ -0.0013156100000000, 0.0022625600000000, 0.0000904300000000 ] - [ -0.0008609700000000, 0.0017944000000000, 0.0005656800000000 ] - [ -0.0012459000000000, -0.0020238000000000, 0.0003652300000000 ] - [ -0.0010473600000000, -0.0019270900000000, 0.0003615000000000 ] - [ -0.0013049800000000, -0.0018465000000000, 0.0003476900000000 ] - [ -0.0010058600000000, -0.0020020500000000, 0.0003528500000000 ] - [ 0.0005383100000000, -0.0013222800000000, 0.0014142500000000 ] - [ 0.0004536200000000, -0.0014331100000000, 0.0010323800000000 ] - [ 0.0003266600000000, -0.0016697700000000, 0.0014204400000000 ] - [ 0.0004970700000000, -0.0012017800000000, 0.0009217500000000 ] - [ 0.0004473200000000, 0.0015141900000000, 0.0011666900000000 ] - [ 0.0003893700000000, 0.0014555200000000, 0.0012792500000000 ] - [ 0.0006649600000000, 0.0011784600000000, 0.0008685000000000 ] - [ 0.0003974000000000, 0.0016312300000000, 0.0013407700000000 ] - [ -0.0009606600000000, 0.0018415100000000, 0.0007274900000000 ] - [ -0.0007481700000000, 0.0018070300000000, 0.0007869000000000 ] - [ -0.0009293400000000, 0.0017211500000000, 0.0008219900000000 ] - [ -0.0008190900000000, 0.0019431500000000, 0.0005936700000000 ] - [ -0.0010897700000000, -0.0013482800000000, 0.0004064800000000 ] - [ -0.0008728000000000, -0.0019831200000000, 0.0006868300000000 ] - [ -0.0020473500000000, -0.0025661700000000, 0.0002944400000000 ] - [ -0.0022280200000000, -0.0005563200000000, 0.0010108700000000 ]- atom: 17 displacement: [ -0.0099999999133341, 0.0000000001139357, -0.0000013165557043 ] forces: - [ -0.0006656400000000, 0.0003239000000000, -0.0014105300000000 ] - [ -0.0000068600000000, 0.0003122600000000, -0.0011791500000000 ] - [ -0.0006001900000000, 0.0002521400000000, -0.0012166200000000 ] - [ -0.0001389900000000, 0.0003012000000000, -0.0011621500000000 ] - [ 0.0005529800000000, -0.0004424300000000, 0.0002950000000000 ] - [ 0.0005973200000000, -0.0000102600000000, 0.0011257800000000 ] - [ 0.0003323600000000, 0.0011646100000000, 0.0003442700000000 ] - [ 0.0008163200000000, -0.0012274500000000, 0.0013736300000000 ] - [ 0.0003932200000000, 0.0000063300000000, 0.0008860700000000 ] - [ 0.0007293700000000, 0.0003232100000000, 0.0007769500000000 ] - [ 0.0002988100000000, 0.0003725000000000, 0.0009563600000000 ] - [ 0.0009287600000000, -0.0001205200000000, 0.0006261200000000 ] - [ -0.0007587300000000, -0.0002578800000000, -0.0012184200000000 ] - [ -0.0000644200000000, -0.0004245800000000, -0.0011452300000000 ] - [ -0.0108729400000000, 0.0092876600000000, 0.0152824900000000 ] - [ 0.0006614100000000, -0.0003422100000000, -0.0010107400000000 ] - [ 0.0147671500000000, -0.0117124300000000, -0.0190831500000000 ] - [ -0.0004831900000000, -0.0006117300000000, -0.0003729200000000 ] - [ -0.0001514700000000, -0.0006055100000000, -0.0004104400000000 ] - [ -0.0003180700000000, -0.0005778900000000, -0.0003582000000000 ] - [ -0.0001992400000000, 0.0006231900000000, -0.0003746400000000 ] - [ -0.0002909600000000, 0.0006139800000000, -0.0003703800000000 ] - [ -0.0001772500000000, 0.0006042800000000, -0.0003098700000000 ] - [ -0.0003214000000000, 0.0006034400000000, -0.0003573400000000 ] - [ 0.0006995100000000, -0.0013516100000000, -0.0000464700000000 ] - [ 0.0004501700000000, -0.0013878800000000, -0.0000571700000000 ] - [ 0.0006872100000000, -0.0013351400000000, -0.0000794900000000 ] - [ 0.0004737800000000, -0.0013876400000000, -0.0000557900000000 ] - [ 0.0007094500000000, 0.0012737200000000, -0.0000701200000000 ] - [ 0.0003472300000000, 0.0014647300000000, -0.0000602700000000 ] - [ 0.0015368200000000, 0.0039824800000000, 0.0012972600000000 ] - [ 0.0002153800000000, 0.0014074100000000, -0.0001180500000000 ] - [ 0.0010353700000000, 0.0056645000000000, -0.0004533800000000 ] - [ 0.0009067200000000, 0.0056753500000000, -0.0008630400000000 ] - [ 0.0011587800000000, 0.0056360600000000, -0.0007733700000000 ] - [ 0.0009300700000000, 0.0056921600000000, -0.0008649800000000 ] - [ 0.0012870300000000, -0.0055802700000000, -0.0008022400000000 ] - [ 0.0008933700000000, -0.0056754200000000, -0.0008721100000000 ] - [ 0.0000997700000000, -0.0073763100000000, -0.0054165400000000 ] - [ 0.0003876500000000, -0.0057380500000000, -0.0009797700000000 ] - [ 0.0001671900000000, 0.0001963500000000, -0.0001319800000000 ] - [ 0.0001179000000000, 0.0000871100000000, -0.0000950900000000 ] - [ 0.0001635300000000, 0.0001213700000000, -0.0001301700000000 ] - [ 0.0001067600000000, 0.0001771900000000, -0.0000654100000000 ] - [ -0.0005624800000000, 0.0009092800000000, -0.0004809200000000 ] - [ 0.0001607100000000, -0.0002925400000000, -0.0002277100000000 ] - [ 0.0001932100000000, -0.0004850100000000, -0.0001410100000000 ] - [ 0.0000441900000000, 0.0000804300000000, -0.0001267400000000 ] - [ 0.0001819700000000, -0.0056852000000000, 0.0007482100000000 ] - [ -0.0000095800000000, -0.0057230400000000, 0.0008048200000000 ] - [ 0.0001958400000000, -0.0057044600000000, 0.0006504300000000 ] - [ -0.0000578500000000, -0.0057001700000000, 0.0008097500000000 ] - [ -0.0024577500000000, 0.0068539100000000, 0.0063303000000000 ] - [ -0.0003653600000000, 0.0057273500000000, 0.0008122300000000 ] - [ 0.0001561000000000, 0.0057501200000000, 0.0007443300000000 ] - [ -0.0000015100000000, 0.0057202400000000, 0.0007854000000000 ] - [ -0.0001691100000000, 0.0000963100000000, -0.0010962900000000 ] - [ -0.0001315300000000, -0.0001443800000000, -0.0012862000000000 ] - [ -0.0021739900000000, -0.0017033900000000, -0.0010010200000000 ] - [ -0.0009928600000000, 0.0009741900000000, -0.0015361600000000 ] - [ -0.0001193600000000, 0.0001717300000000, -0.0013192400000000 ] - [ -0.0001664700000000, -0.0000066600000000, -0.0010854100000000 ] - [ -0.0001214700000000, 0.0000663400000000, -0.0012723000000000 ] - [ -0.0001475800000000, 0.0002033900000000, -0.0011640300000000 ] - [ -0.0010898200000000, 0.0020607500000000, 0.0004927200000000 ] - [ -0.0012136000000000, 0.0019487400000000, 0.0002870800000000 ] - [ -0.0009701700000000, 0.0016564500000000, 0.0006079500000000 ] - [ -0.0014256500000000, 0.0021242500000000, 0.0001338900000000 ] - [ -0.0010411600000000, -0.0018962700000000, 0.0003342100000000 ] - [ -0.0012412000000000, -0.0019924200000000, 0.0003368700000000 ] - [ -0.0009824100000000, -0.0020723800000000, 0.0003519500000000 ] - [ -0.0012830200000000, -0.0019171400000000, 0.0003456000000000 ] - [ 0.0002606800000000, -0.0015908100000000, 0.0009488200000000 ] - [ 0.0003416800000000, -0.0014843600000000, 0.0013287600000000 ] - [ 0.0004698400000000, -0.0012469000000000, 0.0009394100000000 ] - [ 0.0002996900000000, -0.0017165000000000, 0.0014400000000000 ] - [ 0.0003491900000000, 0.0014025500000000, 0.0011935600000000 ] - [ 0.0004076400000000, 0.0014605900000000, 0.0010794200000000 ] - [ 0.0001293900000000, 0.0017404200000000, 0.0014944800000000 ] - [ 0.0003999000000000, 0.0012869400000000, 0.0010208400000000 ] - [ -0.0007823500000000, 0.0017900700000000, 0.0006425200000000 ] - [ -0.0009999000000000, 0.0018248300000000, 0.0005857600000000 ] - [ -0.0008166500000000, 0.0019111100000000, 0.0005495000000000 ] - [ -0.0009275900000000, 0.0016887900000000, 0.0007794200000000 ] - [ -0.0006547300000000, -0.0022903300000000, 0.0009704700000000 ] - [ -0.0008731000000000, -0.0016515800000000, 0.0006871300000000 ] - [ 0.0002934800000000, -0.0010704100000000, 0.0010878100000000 ] - [ 0.0004927600000000, -0.0030767700000000, 0.0003646300000000 ]- atom: 17 displacement: [ -0.0000000001462832, 0.0100000000000000, 0.0000000001023983 ] forces: - [ -0.0005095100000000, 0.0005031500000000, -0.0020699500000000 ] - [ -0.0003458400000000, 0.0004298300000000, -0.0013413700000000 ] - [ -0.0003890300000000, 0.0000459900000000, -0.0011851200000000 ] - [ -0.0003268600000000, 0.0001372800000000, -0.0011607400000000 ] - [ 0.0011733600000000, -0.0008738300000000, 0.0003594000000000 ] - [ 0.0000385100000000, -0.0004974600000000, 0.0011230300000000 ] - [ -0.0002306500000000, -0.0002133000000000, 0.0012867600000000 ] - [ 0.0007999900000000, -0.0002362800000000, 0.0013807300000000 ] - [ 0.0006063500000000, 0.0003587900000000, 0.0008649900000000 ] - [ 0.0004721500000000, 0.0002445600000000, 0.0007656100000000 ] - [ 0.0002118900000000, -0.0000686200000000, 0.0004467200000000 ] - [ 0.0008811500000000, -0.0002134200000000, 0.0005311300000000 ] - [ -0.0002653400000000, -0.0014216800000000, -0.0012121500000000 ] - [ -0.0002682200000000, -0.0006184300000000, -0.0011751500000000 ] - [ -0.0097476400000000, 0.0396674900000000, 0.0542063700000000 ] - [ -0.0003230600000000, -0.0001043000000000, -0.0010040100000000 ] - [ 0.0106350200000000, -0.0456518700000000, -0.0622182400000000 ] - [ -0.0002516200000000, -0.0007407700000000, -0.0004854700000000 ] - [ -0.0002579200000000, -0.0002652800000000, -0.0002570300000000 ] - [ -0.0002850500000000, -0.0005011600000000, -0.0003366300000000 ] - [ -0.0002405200000000, 0.0006972700000000, -0.0004006000000000 ] - [ -0.0002492900000000, 0.0006722600000000, -0.0004066400000000 ] - [ -0.0002583600000000, 0.0004207400000000, -0.0000352200000000 ] - [ -0.0002600500000000, 0.0005440700000000, -0.0002949700000000 ] - [ 0.0006046400000000, -0.0013860400000000, 0.0000469200000000 ] - [ 0.0005383900000000, -0.0014496600000000, -0.0000408300000000 ] - [ 0.0005984800000000, -0.0012576800000000, -0.0000767300000000 ] - [ 0.0005893700000000, -0.0013005200000000, -0.0000716200000000 ] - [ 0.0006157400000000, 0.0019704900000000, -0.0001759200000000 ] - [ 0.0003536300000000, 0.0015596000000000, -0.0000792900000000 ] - [ -0.0036927700000000, 0.0071920200000000, 0.0047207700000000 ] - [ 0.0005940900000000, 0.0013006800000000, -0.0000807400000000 ] - [ 0.0009605700000000, 0.0057464600000000, -0.0005058700000000 ] - [ 0.0011727600000000, 0.0055992200000000, -0.0007766500000000 ] - [ 0.0010223100000000, 0.0057327700000000, -0.0008182700000000 ] - [ 0.0009869400000000, 0.0057122300000000, -0.0008365700000000 ] - [ 0.0011340200000000, -0.0054406900000000, -0.0008854500000000 ] - [ 0.0010364600000000, -0.0055926700000000, -0.0008562900000000 ] - [ 0.0025115700000000, -0.0063541200000000, 0.0017981800000000 ] - [ 0.0009587800000000, -0.0057132200000000, -0.0008623700000000 ] - [ 0.0001164900000000, 0.0001459400000000, -0.0000647000000000 ] - [ 0.0001783100000000, 0.0001521900000000, -0.0000295500000000 ] - [ 0.0001786900000000, 0.0001743400000000, -0.0000037800000000 ] - [ 0.0000877400000000, 0.0001659400000000, -0.0000158800000000 ] - [ -0.0007125600000000, 0.0010693200000000, -0.0005724200000000 ] - [ 0.0002243400000000, -0.0001029600000000, -0.0001958800000000 ] - [ 0.0003279700000000, -0.0001553100000000, -0.0002793000000000 ] - [ -0.0001735600000000, -0.0000486600000000, -0.0004355200000000 ] - [ 0.0001207100000000, -0.0055971200000000, 0.0007945400000000 ] - [ 0.0000816600000000, -0.0056358400000000, 0.0007992900000000 ] - [ 0.0001304400000000, -0.0057017900000000, 0.0009872100000000 ] - [ -0.0000118600000000, -0.0058050000000000, 0.0008018600000000 ] - [ 0.0003778100000000, 0.0035802000000000, 0.0011007800000000 ] - [ 0.0002067000000000, 0.0055988600000000, 0.0007607500000000 ] - [ 0.0001535700000000, 0.0061625400000000, 0.0005839100000000 ] - [ 0.0000481400000000, 0.0058161900000000, 0.0007412000000000 ] - [ -0.0002354800000000, 0.0002364000000000, -0.0011236300000000 ] - [ -0.0000898700000000, 0.0000588200000000, -0.0012822700000000 ] - [ 0.0010288600000000, -0.0000982400000000, -0.0015867400000000 ] - [ -0.0007055700000000, -0.0000331600000000, -0.0016269000000000 ] - [ -0.0001792500000000, -0.0000119100000000, -0.0011008300000000 ] - [ -0.0001118000000000, 0.0000632500000000, -0.0011424700000000 ] - [ -0.0000558400000000, 0.0002455500000000, -0.0011410800000000 ] - [ -0.0001321300000000, 0.0002321900000000, -0.0011611700000000 ] - [ -0.0013370700000000, 0.0023979400000000, 0.0006228400000000 ] - [ -0.0009909600000000, 0.0020062500000000, 0.0003605900000000 ] - [ -0.0008544500000000, 0.0023355700000000, -0.0000996100000000 ] - [ -0.0012785000000000, 0.0019721600000000, 0.0002173400000000 ] - [ -0.0012276700000000, -0.0020217600000000, 0.0003085300000000 ] - [ -0.0011238200000000, -0.0019800400000000, 0.0003696100000000 ] - [ -0.0009237400000000, -0.0019123700000000, 0.0005153500000000 ] - [ -0.0012379700000000, -0.0019112300000000, 0.0003799800000000 ] - [ 0.0007892100000000, -0.0012819900000000, 0.0012749000000000 ] - [ 0.0002068700000000, -0.0014925500000000, 0.0013624500000000 ] - [ 0.0004131400000000, -0.0013508600000000, 0.0009527900000000 ] - [ 0.0005273500000000, -0.0013778200000000, 0.0010602600000000 ] - [ 0.0004327700000000, 0.0014266300000000, 0.0011361400000000 ] - [ 0.0003787400000000, 0.0014172900000000, 0.0010234100000000 ] - [ 0.0000741800000000, 0.0016697300000000, 0.0015838800000000 ] - [ 0.0004738400000000, 0.0015426200000000, 0.0013054100000000 ] - [ -0.0004857100000000, 0.0018235400000000, 0.0003635200000000 ] - [ -0.0011848400000000, 0.0018899800000000, 0.0002451400000000 ] - [ -0.0008918100000000, 0.0016359900000000, 0.0006940100000000 ] - [ -0.0008660600000000, 0.0015946800000000, 0.0007928200000000 ] - [ -0.0005713400000000, -0.0025459700000000, 0.0011106000000000 ] - [ -0.0011778900000000, -0.0021656600000000, 0.0009262800000000 ] - [ -0.0017833300000000, -0.0019517900000000, 0.0007862200000000 ] - [ 0.0011911500000000, -0.0008660300000000, 0.0000194100000000 ]- atom: 17 displacement: [ 0.0000000001462832, -0.0100000000000000, -0.0000000001023983 ] forces: - [ -0.0002258600000000, 0.0000822800000000, -0.0002774300000000 ] - [ -0.0003852000000000, 0.0001513300000000, -0.0009999600000000 ] - [ -0.0003421900000000, 0.0005316500000000, -0.0011551700000000 ] - [ -0.0004046600000000, 0.0004413800000000, -0.0011797900000000 ] - [ -0.0001368200000000, 0.0005991300000000, 0.0013305000000000 ] - [ 0.0009846500000000, 0.0002284200000000, 0.0005732400000000 ] - [ 0.0012524500000000, -0.0000628600000000, 0.0004039700000000 ] - [ 0.0002288300000000, -0.0000377500000000, 0.0003117000000000 ] - [ 0.0004214900000000, -0.0000887600000000, 0.0008261700000000 ] - [ 0.0005569300000000, 0.0000258200000000, 0.0009253000000000 ] - [ 0.0008185800000000, 0.0003324700000000, 0.0012429500000000 ] - [ 0.0001482200000000, 0.0004793000000000, 0.0011594600000000 ] - [ -0.0004637600000000, 0.0008355900000000, -0.0011275800000000 ] - [ -0.0004630500000000, 0.0000357200000000, -0.0011642600000000 ] - [ 0.0092338100000000, -0.0403843200000000, -0.0578624700000000 ] - [ -0.0004089600000000, -0.0004749600000000, -0.0013327900000000 ] - [ -0.0113656500000000, 0.0446001600000000, 0.0627683800000000 ] - [ -0.0002411600000000, -0.0004944000000000, -0.0002806900000000 ] - [ -0.0002355500000000, -0.0009663000000000, -0.0005066500000000 ] - [ -0.0002079500000000, -0.0007319100000000, -0.0004280700000000 ] - [ -0.0002524600000000, 0.0005373400000000, -0.0003644500000000 ] - [ -0.0002433500000000, 0.0005621100000000, -0.0003583000000000 ] - [ -0.0002340300000000, 0.0008113400000000, -0.0007265700000000 ] - [ -0.0002328300000000, 0.0006892700000000, -0.0004688700000000 ] - [ 0.0005456700000000, -0.0013616800000000, -0.0001917300000000 ] - [ 0.0006109200000000, -0.0012972500000000, -0.0001047100000000 ] - [ 0.0005510100000000, -0.0014872900000000, -0.0000692200000000 ] - [ 0.0005606000000000, -0.0014452400000000, -0.0000745000000000 ] - [ 0.0005350200000000, 0.0007828400000000, 0.0000280400000000 ] - [ 0.0007933000000000, 0.0011879300000000, -0.0000670500000000 ] - [ 0.0048913500000000, -0.0045252600000000, -0.0049331800000000 ] - [ 0.0005566800000000, 0.0014453600000000, -0.0000655900000000 ] - [ 0.0011362700000000, 0.0055719400000000, -0.0011494100000000 ] - [ 0.0009236200000000, 0.0057188900000000, -0.0008806700000000 ] - [ 0.0010729200000000, 0.0055867900000000, -0.0008391900000000 ] - [ 0.0011093300000000, 0.0056067300000000, -0.0008207800000000 ] - [ 0.0009617200000000, -0.0058767000000000, -0.0007731700000000 ] - [ 0.0010597700000000, -0.0057259200000000, -0.0008015800000000 ] - [ -0.0004002800000000, -0.0049402900000000, -0.0034410800000000 ] - [ 0.0011346500000000, -0.0056058400000000, -0.0007959200000000 ] - [ 0.0001680100000000, 0.0001612600000000, -0.0001978400000000 ] - [ 0.0001065000000000, 0.0001548800000000, -0.0002324800000000 ] - [ 0.0001057000000000, 0.0001340200000000, -0.0002594800000000 ] - [ 0.0001970800000000, 0.0001420100000000, -0.0002476200000000 ] - [ 0.0009793300000000, -0.0013587900000000, 0.0002963800000000 ] - [ 0.0000613500000000, -0.0002064200000000, -0.0000704300000000 ] - [ -0.0000428500000000, -0.0001504300000000, 0.0000143900000000 ] - [ 0.0004593100000000, -0.0002589000000000, 0.0001717000000000 ] - [ 0.0000498500000000, -0.0058294700000000, 0.0007495000000000 ] - [ 0.0000887300000000, -0.0057907500000000, 0.0007447900000000 ] - [ 0.0000407000000000, -0.0057290700000000, 0.0005569000000000 ] - [ 0.0001817500000000, -0.0056235300000000, 0.0007419800000000 ] - [ -0.0002362500000000, 0.0078639200000000, 0.0004771700000000 ] - [ -0.0000334000000000, 0.0058276700000000, 0.0007821600000000 ] - [ 0.0000189400000000, 0.0052677800000000, 0.0009575000000000 ] - [ 0.0001226400000000, 0.0056122500000000, 0.0008013100000000 ] - [ -0.0000306100000000, -0.0004482700000000, -0.0013689000000000 ] - [ -0.0001746200000000, -0.0002729300000000, -0.0012120900000000 ] - [ -0.0012967900000000, -0.0001108000000000, -0.0009065500000000 ] - [ 0.0004407200000000, -0.0001759600000000, -0.0008676000000000 ] - [ -0.0000857800000000, 0.0002271600000000, -0.0013913900000000 ] - [ -0.0001533700000000, 0.0001513300000000, -0.0013498600000000 ] - [ -0.0002091500000000, -0.0000283500000000, -0.0013521500000000 ] - [ -0.0001326500000000, -0.0000153800000000, -0.0013322500000000 ] - [ -0.0009546100000000, 0.0015319000000000, 0.0000827400000000 ] - [ -0.0012947000000000, 0.0019135500000000, 0.0003391000000000 ] - [ -0.0014328500000000, 0.0015780100000000, 0.0008056800000000 ] - [ -0.0010091000000000, 0.0019481200000000, 0.0004820000000000 ] - [ -0.0010610100000000, -0.0018989300000000, 0.0003902600000000 ] - [ -0.0011653500000000, -0.0019402300000000, 0.0003288100000000 ] - [ -0.0013657300000000, -0.0020056800000000, 0.0001839700000000 ] - [ -0.0010505700000000, -0.0020079700000000, 0.0003189300000000 ] - [ 0.0000121900000000, -0.0016328600000000, 0.0010880800000000 ] - [ 0.0005869900000000, -0.0014250300000000, 0.0010003700000000 ] - [ 0.0003828700000000, -0.0015648200000000, 0.0014070000000000 ] - [ 0.0002707000000000, -0.0015366300000000, 0.0012985000000000 ] - [ 0.0003640700000000, 0.0014884100000000, 0.0012226100000000 ] - [ 0.0004177000000000, 0.0014979300000000, 0.0013339100000000 ] - [ 0.0007214400000000, 0.0012481300000000, 0.0007767200000000 ] - [ 0.0003223300000000, 0.0013759200000000, 0.0010566800000000 ] - [ -0.0012588900000000, 0.0018100700000000, 0.0010061700000000 ] - [ -0.0005632900000000, 0.0017464400000000, 0.0011228000000000 ] - [ -0.0008550400000000, 0.0019941900000000, 0.0006800900000000 ] - [ -0.0008811600000000, 0.0020363100000000, 0.0005807200000000 ] - [ -0.0011719400000000, -0.0010948800000000, 0.0002672500000000 ] - [ -0.0005731400000000, -0.0014686800000000, 0.0004495600000000 ] - [ 0.0000278300000000, -0.0016885600000000, 0.0005876600000000 ] - [ -0.0029379000000000, -0.0027850300000000, 0.0013563700000000 ]- atom: 17 displacement: [ -0.0004071772244389, 0.0000000000853433, 0.0099917068966167 ] forces: - [ -0.0003265300000000, 0.0004443000000000, -0.0030064700000000 ] - [ -0.0003319600000000, 0.0003735100000000, -0.0016011400000000 ] - [ -0.0004352600000000, 0.0002033300000000, -0.0014465000000000 ] - [ -0.0003144300000000, 0.0001878300000000, -0.0013031700000000 ] - [ 0.0017762800000000, -0.0010707100000000, 0.0013287300000000 ] - [ -0.0002061200000000, -0.0005659000000000, 0.0016768500000000 ] - [ 0.0012551900000000, 0.0007694500000000, 0.0017994100000000 ] - [ 0.0004863200000000, 0.0000484500000000, 0.0013257800000000 ] - [ 0.0001382900000000, 0.0004566800000000, 0.0003053200000000 ] - [ 0.0006578500000000, 0.0003766400000000, 0.0004779900000000 ] - [ 0.0003688200000000, -0.0002941300000000, 0.0000068800000000 ] - [ 0.0010535400000000, -0.0002735300000000, 0.0002416400000000 ] - [ -0.0004451500000000, -0.0007112300000000, -0.0009969000000000 ] - [ -0.0002876600000000, -0.0004549500000000, -0.0010538400000000 ] - [ -0.0169320200000000, 0.0549584500000000, 0.1016403600000000 ] - [ -0.0001512000000000, -0.0003491300000000, -0.0003457600000000 ] - [ 0.0184904900000000, -0.0620334100000000, -0.1178842000000000 ] - [ -0.0002621800000000, -0.0007146600000000, -0.0006692400000000 ] - [ -0.0002102900000000, -0.0004883200000000, -0.0004690300000000 ] - [ -0.0002691000000000, -0.0005652500000000, -0.0004087600000000 ] - [ -0.0002481100000000, 0.0006305800000000, -0.0002636600000000 ] - [ -0.0002556300000000, 0.0006362400000000, -0.0003325100000000 ] - [ -0.0003108500000000, 0.0002656100000000, 0.0004382700000000 ] - [ -0.0002698900000000, 0.0005248300000000, -0.0001810100000000 ] - [ 0.0005952900000000, -0.0012703100000000, 0.0002014600000000 ] - [ 0.0005641000000000, -0.0014044500000000, 0.0000084600000000 ] - [ 0.0006193800000000, -0.0013205400000000, -0.0000229200000000 ] - [ 0.0005664200000000, -0.0013133300000000, -0.0000297700000000 ] - [ 0.0006512500000000, 0.0014768700000000, -0.0000651200000000 ] - [ 0.0004499400000000, 0.0014610000000000, -0.0000979900000000 ] - [ -0.0008313000000000, 0.0045161400000000, 0.0003488700000000 ] - [ 0.0004431400000000, 0.0014089200000000, -0.0002236800000000 ] - [ 0.0006120600000000, 0.0058967400000000, 0.0002682000000000 ] - [ 0.0012368800000000, 0.0056187600000000, -0.0006879800000000 ] - [ 0.0010335200000000, 0.0056864900000000, -0.0007088500000000 ] - [ 0.0010360600000000, 0.0056920800000000, -0.0007927100000000 ] - [ 0.0011236200000000, -0.0055506800000000, -0.0009169400000000 ] - [ 0.0010030000000000, -0.0056359800000000, -0.0008871300000000 ] - [ 0.0063960200000000, -0.0020734200000000, 0.0049805900000000 ] - [ 0.0004800300000000, -0.0056866700000000, -0.0011258900000000 ] - [ 0.0001557800000000, 0.0001153500000000, 0.0001963700000000 ] - [ 0.0001684100000000, 0.0000875900000000, 0.0001231200000000 ] - [ 0.0001688000000000, 0.0001656100000000, 0.0001878600000000 ] - [ 0.0001003100000000, 0.0001604900000000, 0.0001141700000000 ] - [ 0.0001330200000000, -0.0000066700000000, -0.0005536100000000 ] - [ 0.0002328800000000, -0.0001883400000000, -0.0004343900000000 ] - [ 0.0001755300000000, -0.0001531700000000, -0.0008554400000000 ] - [ -0.0000015000000000, -0.0001974300000000, -0.0005036500000000 ] - [ 0.0001224300000000, -0.0056299700000000, 0.0008322200000000 ] - [ 0.0000399000000000, -0.0056669400000000, 0.0008339200000000 ] - [ 0.0002646500000000, -0.0054534200000000, 0.0017331700000000 ] - [ -0.0000663200000000, -0.0057528400000000, 0.0008752800000000 ] - [ -0.0059845300000000, 0.0078539300000000, 0.0065354700000000 ] - [ 0.0003908700000000, 0.0056442900000000, 0.0005653600000000 ] - [ 0.0001285900000000, 0.0059254400000000, 0.0006564200000000 ] - [ 0.0000630000000000, 0.0057764500000000, 0.0007171000000000 ] - [ -0.0002837000000000, 0.0001187700000000, -0.0014061300000000 ] - [ -0.0001041500000000, 0.0000387800000000, -0.0014428200000000 ] - [ -0.0005386200000000, -0.0006072500000000, -0.0021947200000000 ] - [ -0.0002765000000000, -0.0003105300000000, -0.0019564200000000 ] - [ -0.0001318100000000, -0.0000059800000000, -0.0008208400000000 ] - [ -0.0001097200000000, -0.0000103900000000, -0.0008310400000000 ] - [ -0.0000706400000000, 0.0002721500000000, -0.0010325600000000 ] - [ -0.0001327100000000, 0.0002779400000000, -0.0010498900000000 ] - [ -0.0016369300000000, 0.0025772700000000, 0.0004720800000000 ] - [ -0.0009348000000000, 0.0020213400000000, 0.0002895500000000 ] - [ -0.0016632100000000, 0.0013519200000000, 0.0002506800000000 ] - [ -0.0011620300000000, 0.0019364300000000, 0.0002762000000000 ] - [ -0.0009085300000000, -0.0020817200000000, 0.0005719000000000 ] - [ -0.0011556700000000, -0.0020048800000000, 0.0004106400000000 ] - [ -0.0009883300000000, -0.0017614300000000, 0.0005929900000000 ] - [ -0.0012455400000000, -0.0018892300000000, 0.0004155400000000 ] - [ 0.0009209900000000, -0.0011934900000000, 0.0010696400000000 ] - [ 0.0001408700000000, -0.0014350500000000, 0.0012613500000000 ] - [ 0.0004811600000000, -0.0014160900000000, 0.0010638600000000 ] - [ 0.0002286600000000, -0.0015873200000000, 0.0012144500000000 ] - [ 0.0003439800000000, 0.0013863000000000, 0.0011913100000000 ] - [ 0.0004708300000000, 0.0013739500000000, 0.0010792200000000 ] - [ -0.0000290300000000, 0.0019442900000000, 0.0017451100000000 ] - [ 0.0005197500000000, 0.0018506300000000, 0.0015834400000000 ] - [ -0.0002681100000000, 0.0016557800000000, 0.0000203600000000 ] - [ -0.0014609200000000, 0.0016509100000000, -0.0002167100000000 ] - [ -0.0007798100000000, 0.0017423300000000, 0.0003712200000000 ] - [ -0.0009856100000000, 0.0017045500000000, 0.0005134900000000 ] - [ -0.0006907400000000, -0.0021961600000000, 0.0011071200000000 ] - [ -0.0009474800000000, -0.0018570800000000, 0.0009918000000000 ] - [ -0.0028865300000000, -0.0028132900000000, 0.0022928100000000 ] - [ 0.0012432700000000, -0.0032701500000000, 0.0016153700000000 ]- atom: 17 displacement: [ 0.0004071772244389, -0.0000000000853433, -0.0099917068966167 ] forces: - [ -0.0004054800000000, 0.0001353300000000, 0.0006527100000000 ] - [ -0.0003990900000000, 0.0002078900000000, -0.0007422900000000 ] - [ -0.0002958700000000, 0.0003784800000000, -0.0008959000000000 ] - [ -0.0004163100000000, 0.0003939000000000, -0.0010386800000000 ] - [ -0.0007410900000000, 0.0007999100000000, 0.0003857600000000 ] - [ 0.0012292900000000, 0.0002951600000000, 0.0000240700000000 ] - [ -0.0002252400000000, -0.0010431100000000, -0.0000997300000000 ] - [ 0.0005405800000000, -0.0003213700000000, 0.0003705600000000 ] - [ 0.0008881800000000, -0.0001922800000000, 0.0013789500000000 ] - [ 0.0003697300000000, -0.0001127100000000, 0.0012094000000000 ] - [ 0.0006572700000000, 0.0005637800000000, 0.0016822700000000 ] - [ -0.0000249400000000, 0.0005409300000000, 0.0014472500000000 ] - [ -0.0002896600000000, 0.0001367700000000, -0.0013436400000000 ] - [ -0.0004440700000000, -0.0001257000000000, -0.0012869400000000 ] - [ 0.0170101000000000, -0.0584521600000000, -0.1079180500000000 ] - [ -0.0005809200000000, -0.0002320400000000, -0.0019962900000000 ] - [ -0.0198114800000000, 0.0637691800000000, 0.1211809300000000 ] - [ -0.0002286800000000, -0.0005174600000000, -0.0000894700000000 ] - [ -0.0002800300000000, -0.0007447500000000, -0.0002911900000000 ] - [ -0.0002219800000000, -0.0006665600000000, -0.0003499200000000 ] - [ -0.0002430600000000, 0.0006014100000000, -0.0004942300000000 ] - [ -0.0002352000000000, 0.0005956000000000, -0.0004254300000000 ] - [ -0.0001806000000000, 0.0009647800000000, -0.0011915600000000 ] - [ -0.0002209800000000, 0.0007068900000000, -0.0005765100000000 ] - [ 0.0005572000000000, -0.0014665400000000, -0.0003443900000000 ] - [ 0.0005872300000000, -0.0013347800000000, -0.0001527900000000 ] - [ 0.0005320200000000, -0.0014192600000000, -0.0001217200000000 ] - [ 0.0005848300000000, -0.0014267600000000, -0.0001148900000000 ] - [ 0.0005000200000000, 0.0012590200000000, -0.0000787600000000 ] - [ 0.0007031700000000, 0.0012775800000000, -0.0000469500000000 ] - [ 0.0019709900000000, -0.0017727600000000, -0.0004697000000000 ] - [ 0.0007086800000000, 0.0013303900000000, 0.0000791300000000 ] - [ 0.0014630500000000, 0.0054306200000000, -0.0019025900000000 ] - [ 0.0008568200000000, 0.0057030900000000, -0.0009722300000000 ] - [ 0.0010580000000000, 0.0056356100000000, -0.0009510900000000 ] - [ 0.0010559900000000, 0.0056299500000000, -0.0008678200000000 ] - [ 0.0009691100000000, -0.0057725400000000, -0.0007428400000000 ] - [ 0.0010890100000000, -0.0056861800000000, -0.0007734900000000 ] - [ -0.0043615700000000, -0.0092930500000000, -0.0067107000000000 ] - [ 0.0016132200000000, -0.0056352800000000, -0.0005340100000000 ] - [ 0.0001294100000000, 0.0001918100000000, -0.0004601400000000 ] - [ 0.0001172000000000, 0.0002188800000000, -0.0003884300000000 ] - [ 0.0001162700000000, 0.0001393300000000, -0.0004539700000000 ] - [ 0.0001847400000000, 0.0001446700000000, -0.0003801200000000 ] - [ 0.0001553200000000, -0.0003088700000000, 0.0002824600000000 ] - [ 0.0000519700000000, -0.0001189300000000, 0.0001633200000000 ] - [ 0.0001103700000000, -0.0001532800000000, 0.0005869300000000 ] - [ 0.0002857200000000, -0.0001079600000000, 0.0002341400000000 ] - [ 0.0000496300000000, -0.0057952600000000, 0.0007076300000000 ] - [ 0.0001316600000000, -0.0057581900000000, 0.0007061200000000 ] - [ -0.0000832600000000, -0.0059710700000000, -0.0001738400000000 ] - [ 0.0002365200000000, -0.0056733000000000, 0.0006646800000000 ] - [ 0.0062347400000000, 0.0035510500000000, -0.0050689900000000 ] - [ -0.0002186700000000, 0.0057817100000000, 0.0009741500000000 ] - [ 0.0000425000000000, 0.0054982200000000, 0.0008839000000000 ] - [ 0.0001095500000000, 0.0056490900000000, 0.0008218600000000 ] - [ 0.0000151900000000, -0.0003319700000000, -0.0010953700000000 ] - [ -0.0001645000000000, -0.0002494000000000, -0.0010563200000000 ] - [ 0.0002792500000000, 0.0004023700000000, -0.0003062200000000 ] - [ 0.0000042500000000, 0.0001037000000000, -0.0005416400000000 ] - [ -0.0001358300000000, 0.0002212700000000, -0.0016709900000000 ] - [ -0.0001570000000000, 0.0002260800000000, -0.0016623800000000 ] - [ -0.0001969400000000, -0.0000588300000000, -0.0014624500000000 ] - [ -0.0001347800000000, -0.0000645400000000, -0.0014450900000000 ] - [ -0.0006503700000000, 0.0013520800000000, 0.0002247300000000 ] - [ -0.0013438700000000, 0.0018993800000000, 0.0004084200000000 ] - [ -0.0006210700000000, 0.0025638400000000, 0.0004452300000000 ] - [ -0.0011189000000000, 0.0019841900000000, 0.0004214000000000 ] - [ -0.0013713400000000, -0.0018381900000000, 0.0001286800000000 ] - [ -0.0011253500000000, -0.0019146700000000, 0.0002879900000000 ] - [ -0.0012920200000000, -0.0021592000000000, 0.0001061100000000 ] - [ -0.0010359900000000, -0.0020307900000000, 0.0002827800000000 ] - [ -0.0001250500000000, -0.0017216800000000, 0.0012886000000000 ] - [ 0.0006500600000000, -0.0014818700000000, 0.0010980600000000 ] - [ 0.0003114900000000, -0.0015017900000000, 0.0012974300000000 ] - [ 0.0005625100000000, -0.0013305400000000, 0.0011470900000000 ] - [ 0.0004466100000000, 0.0015340200000000, 0.0011736500000000 ] - [ 0.0003204100000000, 0.0015462600000000, 0.0012864200000000 ] - [ 0.0008193800000000, 0.0009750800000000, 0.0006194200000000 ] - [ 0.0002715500000000, 0.0010667800000000, 0.0007785300000000 ] - [ -0.0014717700000000, 0.0019716300000000, 0.0013503700000000 ] - [ -0.0002945700000000, 0.0019759100000000, 0.0015864500000000 ] - [ -0.0009676600000000, 0.0018902400000000, 0.0010016100000000 ] - [ -0.0007638700000000, 0.0019278600000000, 0.0008595000000000 ] - [ -0.0010616100000000, -0.0014317800000000, 0.0002617500000000 ] - [ -0.0007958200000000, -0.0017764200000000, 0.0003792000000000 ] - [ 0.0011395400000000, -0.0008206600000000, -0.0009283900000000 ] - [ -0.0029838000000000, -0.0003572300000000, -0.0002514800000000 ]- atom: 25 displacement: [ 0.0099999999133341, -0.0000000001139357, 0.0000013165557043 ] forces: - [ 0.0149263600000000, 0.0149011700000000, -0.0015769800000000 ] - [ -0.0019229300000000, 0.0003895200000000, -0.0009978000000000 ] - [ 0.0001467600000000, 0.0002493200000000, -0.0012807800000000 ] - [ -0.0009219800000000, 0.0000025000000000, -0.0009366500000000 ] - [ 0.0001396300000000, 0.0001931900000000, 0.0003232900000000 ] - [ -0.0012540800000000, -0.0013232800000000, 0.0015939400000000 ] - [ 0.0004855000000000, -0.0005191800000000, 0.0007420200000000 ] - [ 0.0003643400000000, 0.0000062700000000, 0.0008884600000000 ] - [ -0.0005302200000000, 0.0005929800000000, 0.0020465000000000 ] - [ 0.0003796700000000, -0.0011790900000000, -0.0016623000000000 ] - [ 0.0002776100000000, -0.0001117900000000, 0.0010875600000000 ] - [ 0.0005847800000000, 0.0000899400000000, 0.0005963100000000 ] - [ 0.0001470000000000, -0.0004208300000000, -0.0011559900000000 ] - [ -0.0008470000000000, -0.0002926700000000, -0.0012244500000000 ] - [ 0.0001849000000000, -0.0003515600000000, -0.0010618700000000 ] - [ -0.0009615800000000, -0.0002008800000000, -0.0012197400000000 ] - [ -0.0003702700000000, -0.0005875300000000, -0.0003714000000000 ] - [ -0.0001214800000000, -0.0006536600000000, -0.0003923600000000 ] - [ -0.0003584400000000, -0.0005935000000000, -0.0003466500000000 ] - [ -0.0001449300000000, -0.0006028100000000, -0.0003908800000000 ] - [ -0.0003806700000000, 0.0005772700000000, -0.0003155300000000 ] - [ -0.0000186400000000, 0.0008382300000000, -0.0005039600000000 ] - [ -0.0012066500000000, 0.0049172500000000, -0.0018294800000000 ] - [ 0.0001131900000000, 0.0005989300000000, -0.0005049800000000 ] - [ -0.0367217000000000, -0.0160763400000000, 0.0013328800000000 ] - [ 0.0011933900000000, -0.0013215300000000, -0.0001467800000000 ] - [ 0.0003851600000000, -0.0013654300000000, -0.0000450400000000 ] - [ 0.0008051200000000, -0.0012515300000000, -0.0001129900000000 ] - [ 0.0002600500000000, 0.0014900900000000, -0.0000481600000000 ] - [ 0.0008323200000000, 0.0013468000000000, -0.0000980800000000 ] - [ 0.0003850600000000, 0.0014266700000000, -0.0000805100000000 ] - [ 0.0007963200000000, 0.0013171100000000, -0.0000722500000000 ] - [ 0.0066507900000000, 0.0103955500000000, 0.0029705500000000 ] - [ 0.0013443800000000, 0.0057278200000000, -0.0005832100000000 ] - [ 0.0008971500000000, 0.0056788900000000, -0.0008606500000000 ] - [ 0.0011742600000000, 0.0057157900000000, -0.0008005400000000 ] - [ 0.0008499200000000, -0.0057026400000000, -0.0009053400000000 ] - [ 0.0012943100000000, -0.0055747100000000, -0.0007626600000000 ] - [ 0.0009247400000000, -0.0056250500000000, -0.0009245300000000 ] - [ 0.0012243900000000, -0.0056919800000000, -0.0007173200000000 ] - [ 0.0019658800000000, -0.0005404700000000, -0.0006270700000000 ] - [ 0.0038117100000000, 0.0027288400000000, 0.0023659800000000 ] - [ 0.0002271000000000, 0.0003417600000000, -0.0001552700000000 ] - [ 0.0000951100000000, 0.0000985700000000, -0.0000729400000000 ] - [ 0.0002107500000000, -0.0002105300000000, 0.0000521600000000 ] - [ 0.0003562800000000, -0.0000327900000000, -0.0006221400000000 ] - [ 0.0001329300000000, -0.0000591100000000, -0.0001067600000000 ] - [ 0.0001432100000000, -0.0001983100000000, -0.0001712300000000 ] - [ -0.0001384000000000, -0.0056131000000000, 0.0008844800000000 ] - [ 0.0003153300000000, -0.0057162500000000, 0.0006859100000000 ] - [ -0.0039153100000000, -0.0122145000000000, -0.0012236300000000 ] - [ 0.0009409300000000, -0.0057225900000000, 0.0005485700000000 ] - [ -0.0001956000000000, 0.0056984600000000, 0.0008045600000000 ] - [ 0.0003361100000000, 0.0056926300000000, 0.0007358200000000 ] - [ -0.0001406700000000, 0.0057996300000000, 0.0008098200000000 ] - [ 0.0002836300000000, 0.0056966300000000, 0.0007320700000000 ] - [ 0.0000170200000000, -0.0003244600000000, -0.0010547100000000 ] - [ -0.0001041600000000, 0.0003095900000000, -0.0015360000000000 ] - [ -0.0001178700000000, 0.0000457200000000, -0.0010369200000000 ] - [ -0.0001281800000000, -0.0001878000000000, -0.0013387200000000 ] - [ 0.0001429700000000, 0.0000313800000000, -0.0015451700000000 ] - [ 0.0033477600000000, -0.0014635200000000, 0.0034475400000000 ] - [ -0.0000732500000000, 0.0002317100000000, -0.0012601700000000 ] - [ -0.0001367500000000, 0.0001607000000000, -0.0012276800000000 ] - [ -0.0005290800000000, 0.0015725600000000, 0.0013037600000000 ] - [ -0.0007285000000000, 0.0020840500000000, 0.0003207300000000 ] - [ -0.0012390800000000, 0.0021251100000000, 0.0004033700000000 ] - [ -0.0010662000000000, 0.0019335000000000, 0.0003558100000000 ] - [ -0.0008276000000000, -0.0021813500000000, -0.0004058400000000 ] - [ -0.0006342700000000, -0.0018074200000000, 0.0009095700000000 ] - [ -0.0011027000000000, -0.0018468700000000, 0.0002769500000000 ] - [ -0.0011255700000000, -0.0019552100000000, 0.0003962300000000 ] - [ 0.0026939300000000, 0.0002299200000000, -0.0029837300000000 ] - [ 0.0005467500000000, -0.0016935500000000, 0.0014870700000000 ] - [ 0.0004260200000000, -0.0015091300000000, 0.0011754900000000 ] - [ 0.0004537900000000, -0.0013744500000000, 0.0011587000000000 ] - [ 0.0000673900000000, 0.0019893700000000, 0.0019870500000000 ] - [ 0.0007154400000000, 0.0011867500000000, 0.0007917800000000 ] - [ 0.0003031400000000, 0.0014709500000000, 0.0012639700000000 ] - [ 0.0004928600000000, 0.0014389000000000, 0.0010809900000000 ] - [ -0.0036991400000000, 0.0025057000000000, 0.0008529800000000 ] - [ 0.0121383900000000, -0.0017117300000000, -0.0031179700000000 ] - [ -0.0011576700000000, 0.0015836400000000, 0.0005860400000000 ] - [ -0.0006309300000000, 0.0017971900000000, 0.0006630800000000 ] - [ -0.0011461400000000, -0.0015816800000000, 0.0007522700000000 ] - [ -0.0006098600000000, -0.0022000000000000, 0.0006480800000000 ] - [ -0.0011655800000000, -0.0018945800000000, 0.0005847100000000 ] - [ -0.0005584400000000, -0.0017231300000000, 0.0007688200000000 ]- atom: 25 displacement: [ -0.0099999999133341, 0.0000000001139357, -0.0000013165557043 ] forces: - [ -0.0155552100000000, -0.0145013000000000, -0.0007876600000000 ] - [ 0.0011975500000000, 0.0001932700000000, -0.0013351200000000 ] - [ -0.0008757500000000, 0.0003271900000000, -0.0010606000000000 ] - [ 0.0001892700000000, 0.0005746900000000, -0.0014020900000000 ] - [ 0.0008856400000000, -0.0004608100000000, 0.0013674300000000 ] - [ 0.0022723500000000, 0.0010516700000000, 0.0000992300000000 ] - [ 0.0005413300000000, 0.0002524500000000, 0.0009501200000000 ] - [ 0.0006645300000000, -0.0002758400000000, 0.0008023400000000 ] - [ 0.0015582300000000, -0.0003251700000000, -0.0003589100000000 ] - [ 0.0006549000000000, 0.0014461900000000, 0.0033431700000000 ] - [ 0.0007489100000000, 0.0003767900000000, 0.0006039800000000 ] - [ 0.0004446600000000, 0.0001752600000000, 0.0010960200000000 ] - [ -0.0008775900000000, -0.0001603300000000, -0.0011840600000000 ] - [ 0.0001139800000000, -0.0002880000000000, -0.0011160400000000 ] - [ -0.0009154300000000, -0.0002285700000000, -0.0012779700000000 ] - [ 0.0002284600000000, -0.0003787700000000, -0.0011205700000000 ] - [ -0.0001232200000000, -0.0006460700000000, -0.0003930700000000 ] - [ -0.0003708900000000, -0.0005803000000000, -0.0003724500000000 ] - [ -0.0001349000000000, -0.0006399600000000, -0.0004179100000000 ] - [ -0.0003475800000000, -0.0006304100000000, -0.0003737700000000 ] - [ -0.0001133400000000, 0.0006570900000000, -0.0004496500000000 ] - [ -0.0004725800000000, 0.0003976600000000, -0.0002616800000000 ] - [ 0.0007417000000000, -0.0036647300000000, 0.0010597600000000 ] - [ -0.0006057700000000, 0.0006351100000000, -0.0002614400000000 ] - [ 0.0369550000000000, 0.0137759800000000, -0.0011755500000000 ] - [ -0.0000440400000000, -0.0014259200000000, -0.0000000200000000 ] - [ 0.0007639500000000, -0.0013782100000000, -0.0001004100000000 ] - [ 0.0003453500000000, -0.0014933900000000, -0.0000333100000000 ] - [ 0.0008884400000000, 0.0012565000000000, -0.0000979400000000 ] - [ 0.0003180600000000, 0.0013994700000000, -0.0000482500000000 ] - [ 0.0007643300000000, 0.0013196600000000, -0.0000656900000000 ] - [ 0.0003539300000000, 0.0014285500000000, -0.0000741200000000 ] - [ -0.0045855400000000, 0.0008677500000000, -0.0046725200000000 ] - [ 0.0007291100000000, 0.0056004000000000, -0.0010740700000000 ] - [ 0.0011984200000000, 0.0056401900000000, -0.0007970600000000 ] - [ 0.0009218700000000, 0.0056041300000000, -0.0008573500000000 ] - [ 0.0012458200000000, -0.0056161200000000, -0.0007528000000000 ] - [ 0.0008027400000000, -0.0057436800000000, -0.0008948100000000 ] - [ 0.0011717600000000, -0.0056930100000000, -0.0007337500000000 ] - [ 0.0008718200000000, -0.0056273200000000, -0.0009397700000000 ] - [ -0.0017287800000000, 0.0008688300000000, 0.0003689800000000 ] - [ -0.0034599500000000, -0.0023712000000000, -0.0025936800000000 ] - [ 0.0000584000000000, -0.0000321600000000, -0.0001079500000000 ] - [ 0.0001897400000000, 0.0002103000000000, -0.0001915300000000 ] - [ 0.0000744900000000, -0.0000981800000000, -0.0003173300000000 ] - [ -0.0000698500000000, -0.0002752300000000, 0.0003549600000000 ] - [ 0.0001520200000000, -0.0002490800000000, -0.0001585300000000 ] - [ 0.0001415400000000, -0.0001092900000000, -0.0000936400000000 ] - [ 0.0003081100000000, -0.0058116300000000, 0.0006597900000000 ] - [ -0.0001443100000000, -0.0057104700000000, 0.0008574100000000 ] - [ 0.0040213400000000, 0.0007872700000000, 0.0027734000000000 ] - [ -0.0007715400000000, -0.0057054200000000, 0.0009941800000000 ] - [ 0.0003656900000000, 0.0057292100000000, 0.0007381300000000 ] - [ -0.0001641500000000, 0.0057349500000000, 0.0008068400000000 ] - [ 0.0003109300000000, 0.0056287700000000, 0.0007329100000000 ] - [ -0.0001120400000000, 0.0057313600000000, 0.0008104200000000 ] - [ -0.0002819700000000, 0.0001100000000000, -0.0014389700000000 ] - [ -0.0001607400000000, -0.0005223400000000, -0.0009593000000000 ] - [ -0.0001469000000000, -0.0002603400000000, -0.0014577700000000 ] - [ -0.0001375300000000, -0.0000259300000000, -0.0011542700000000 ] - [ -0.0004073700000000, 0.0001838200000000, -0.0009479800000000 ] - [ -0.0035669000000000, 0.0016399700000000, -0.0058668500000000 ] - [ -0.0001913100000000, -0.0000142400000000, -0.0012334300000000 ] - [ -0.0001279300000000, 0.0000572800000000, -0.0012661800000000 ] - [ -0.0017584000000000, 0.0023507200000000, -0.0006121800000000 ] - [ -0.0015574700000000, 0.0018356100000000, 0.0003786800000000 ] - [ -0.0010476200000000, 0.0017944800000000, 0.0002964800000000 ] - [ -0.0012211500000000, 0.0019866100000000, 0.0003439800000000 ] - [ -0.0014605100000000, -0.0017376500000000, 0.0011101200000000 ] - [ -0.0016523600000000, -0.0021122300000000, -0.0002087400000000 ] - [ -0.0011853200000000, -0.0020713600000000, 0.0004212200000000 ] - [ -0.0011634700000000, -0.0019638900000000, 0.0003019500000000 ] - [ -0.0018827700000000, -0.0031304600000000, 0.0052887700000000 ] - [ 0.0002499600000000, -0.0012229900000000, 0.0008732200000000 ] - [ 0.0003697600000000, -0.0014063900000000, 0.0011848300000000 ] - [ 0.0003426100000000, -0.0015420600000000, 0.0012017100000000 ] - [ 0.0007274300000000, 0.0009301800000000, 0.0003786300000000 ] - [ 0.0000812700000000, 0.0017297200000000, 0.0015682700000000 ] - [ 0.0004922100000000, 0.0014460700000000, 0.0010959100000000 ] - [ 0.0003038400000000, 0.0014778300000000, 0.0012784700000000 ] - [ 0.0019546800000000, 0.0011285900000000, 0.0005205500000000 ] - [ -0.0130828800000000, 0.0050503900000000, 0.0042044200000000 ] - [ -0.0005902300000000, 0.0020469800000000, 0.0007861200000000 ] - [ -0.0011150800000000, 0.0018315500000000, 0.0007099600000000 ] - [ -0.0006013300000000, -0.0020526400000000, 0.0006203700000000 ] - [ -0.0011357200000000, -0.0014364800000000, 0.0007240400000000 ] - [ -0.0005822900000000, -0.0017398000000000, 0.0007890800000000 ] - [ -0.0011864100000000, -0.0019111500000000, 0.0006029000000000 ]- atom: 25 displacement: [ -0.0000000001462832, 0.0100000000000000, 0.0000000001023983 ] forces: - [ 0.0218007200000000, 0.0856251100000000, 0.0079875500000000 ] - [ -0.0006095000000000, 0.0007709600000000, -0.0008911300000000 ] - [ -0.0001624000000000, -0.0010934600000000, -0.0009731200000000 ] - [ -0.0005488900000000, -0.0001214500000000, -0.0010674200000000 ] - [ 0.0016149400000000, 0.0001960600000000, 0.0011054200000000 ] - [ -0.0002056500000000, -0.0007326100000000, 0.0012257500000000 ] - [ 0.0001218900000000, -0.0003942600000000, 0.0005880800000000 ] - [ 0.0007652000000000, -0.0004351200000000, 0.0006739500000000 ] - [ 0.0013383300000000, 0.0010362900000000, 0.0007530300000000 ] - [ -0.0005377800000000, 0.0019342900000000, -0.0007491500000000 ] - [ 0.0001229600000000, -0.0004570200000000, 0.0009864300000000 ] - [ 0.0006388000000000, -0.0004576600000000, 0.0008913300000000 ] - [ -0.0002049000000000, -0.0005773800000000, -0.0012124200000000 ] - [ -0.0005443200000000, -0.0004049700000000, -0.0012903000000000 ] - [ -0.0001979300000000, -0.0002904100000000, -0.0011882800000000 ] - [ -0.0004036900000000, -0.0001741600000000, -0.0011215000000000 ] - [ -0.0002653000000000, -0.0006261900000000, -0.0002878400000000 ] - [ -0.0002295400000000, -0.0006909300000000, -0.0004201900000000 ] - [ -0.0002814300000000, -0.0005010800000000, -0.0003388100000000 ] - [ -0.0002297800000000, -0.0005429800000000, -0.0003287700000000 ] - [ -0.0003443900000000, 0.0012139600000000, -0.0004987200000000 ] - [ -0.0001535400000000, 0.0007998300000000, -0.0004732100000000 ] - [ 0.0023423200000000, 0.0064430600000000, -0.0034069700000000 ] - [ -0.0002108000000000, 0.0005436300000000, -0.0004241500000000 ] - [ -0.0136721900000000, -0.1126946700000000, -0.0157066800000000 ] - [ 0.0006275100000000, -0.0016589400000000, -0.0001433000000000 ] - [ 0.0005841200000000, -0.0008010800000000, 0.0000050600000000 ] - [ 0.0006979100000000, -0.0011755100000000, -0.0000788000000000 ] - [ 0.0004614200000000, 0.0015207600000000, -0.0000362300000000 ] - [ 0.0006027500000000, 0.0014076800000000, -0.0000708800000000 ] - [ 0.0005239900000000, 0.0013924500000000, -0.0000655200000000 ] - [ 0.0006327000000000, 0.0013448700000000, -0.0000726300000000 ] - [ 0.0057095700000000, 0.0067875300000000, 0.0010799400000000 ] - [ 0.0009302900000000, 0.0054599100000000, -0.0009197800000000 ] - [ 0.0007959300000000, 0.0059024300000000, -0.0008804600000000 ] - [ 0.0010770700000000, 0.0057770000000000, -0.0008146800000000 ] - [ 0.0009964200000000, -0.0056182300000000, -0.0008444600000000 ] - [ 0.0012708000000000, -0.0055615700000000, -0.0007589300000000 ] - [ 0.0010967400000000, -0.0056173700000000, -0.0008608100000000 ] - [ 0.0009636300000000, -0.0057089000000000, -0.0008150800000000 ] - [ -0.0006527400000000, -0.0002672600000000, -0.0001467400000000 ] - [ 0.0022308200000000, 0.0004460900000000, 0.0010594700000000 ] - [ 0.0002554000000000, 0.0004875100000000, -0.0001070800000000 ] - [ 0.0001632300000000, 0.0004032400000000, -0.0002538300000000 ] - [ 0.0000127600000000, -0.0002459800000000, -0.0003120700000000 ] - [ 0.0002942200000000, -0.0001654000000000, -0.0002877000000000 ] - [ 0.0001695800000000, -0.0000563400000000, -0.0000599400000000 ] - [ 0.0000915500000000, -0.0000393100000000, -0.0000975400000000 ] - [ 0.0001586600000000, -0.0050955700000000, 0.0009306300000000 ] - [ 0.0001365100000000, -0.0056073000000000, 0.0007745200000000 ] - [ -0.0045538700000000, 0.0036362700000000, 0.0063732000000000 ] - [ 0.0004434400000000, -0.0058123300000000, 0.0006363100000000 ] - [ -0.0000058800000000, 0.0056694800000000, 0.0007858400000000 ] - [ 0.0001679200000000, 0.0056448700000000, 0.0007844000000000 ] - [ -0.0000266700000000, 0.0058667300000000, 0.0007947200000000 ] - [ 0.0001148200000000, 0.0057769700000000, 0.0007516300000000 ] - [ -0.0003216700000000, -0.0000009000000000, -0.0013714100000000 ] - [ -0.0001165400000000, 0.0000225400000000, -0.0013487700000000 ] - [ -0.0000701100000000, -0.0000385800000000, -0.0011007900000000 ] - [ -0.0001911600000000, 0.0000394100000000, -0.0010523500000000 ] - [ -0.0002024700000000, -0.0004634000000000, -0.0014478000000000 ] - [ -0.0015217700000000, -0.0008227100000000, -0.0023349500000000 ] - [ -0.0000560100000000, 0.0003977100000000, -0.0012484900000000 ] - [ -0.0000726800000000, 0.0004297700000000, -0.0012179600000000 ] - [ -0.0021666200000000, 0.0018784600000000, -0.0004046500000000 ] - [ -0.0009144700000000, 0.0020016900000000, 0.0003411600000000 ] - [ -0.0009498700000000, 0.0020585900000000, 0.0005147900000000 ] - [ -0.0012322700000000, 0.0020107700000000, 0.0003452500000000 ] - [ -0.0015621600000000, -0.0021571300000000, 0.0004875100000000 ] - [ -0.0009389900000000, -0.0022374800000000, 0.0005782600000000 ] - [ -0.0010256100000000, -0.0017251000000000, 0.0002964700000000 ] - [ -0.0012151400000000, -0.0018661300000000, 0.0003172900000000 ] - [ 0.0011607800000000, -0.0013088300000000, 0.0001681700000000 ] - [ 0.0001924400000000, -0.0018152700000000, 0.0014383000000000 ] - [ 0.0003532700000000, -0.0012198700000000, 0.0010977800000000 ] - [ 0.0005321600000000, -0.0013157300000000, 0.0011216300000000 ] - [ 0.0005865800000000, 0.0015994400000000, 0.0018748000000000 ] - [ 0.0003010800000000, 0.0014156200000000, 0.0011983500000000 ] - [ 0.0002723200000000, 0.0015533600000000, 0.0012093500000000 ] - [ 0.0004848600000000, 0.0014875600000000, 0.0011284100000000 ] - [ -0.0019549800000000, 0.0033761300000000, 0.0012184300000000 ] - [ -0.0098714200000000, 0.0099038800000000, 0.0045253500000000 ] - [ -0.0009256200000000, 0.0012414600000000, 0.0005760300000000 ] - [ -0.0009218000000000, 0.0008981300000000, 0.0006991400000000 ] - [ -0.0008262800000000, -0.0018791600000000, 0.0007114800000000 ] - [ -0.0009236900000000, -0.0022186500000000, 0.0002373500000000 ] - [ -0.0011026600000000, -0.0018683400000000, 0.0006328600000000 ] - [ -0.0007132500000000, -0.0018388400000000, 0.0006269000000000 ]- atom: 25 displacement: [ 0.0000000001462832, -0.0100000000000000, -0.0000000001023983 ] forces: - [ -0.0240528800000000, -0.0890557600000000, -0.0109162300000000 ] - [ -0.0001149200000000, -0.0001886300000000, -0.0014490800000000 ] - [ -0.0005667700000000, 0.0016621400000000, -0.0013630900000000 ] - [ -0.0001816400000000, 0.0007026800000000, -0.0012758300000000 ] - [ -0.0005823200000000, -0.0004631500000000, 0.0005880500000000 ] - [ 0.0012459600000000, 0.0004750400000000, 0.0004608000000000 ] - [ 0.0009061000000000, 0.0001258100000000, 0.0011045700000000 ] - [ 0.0002596000000000, 0.0001663200000000, 0.0010203700000000 ] - [ -0.0003044900000000, -0.0007631200000000, 0.0009308800000000 ] - [ 0.0015670000000000, -0.0016399700000000, 0.0024518300000000 ] - [ 0.0009080300000000, 0.0007233100000000, 0.0007042000000000 ] - [ 0.0003895700000000, 0.0007221400000000, 0.0007985400000000 ] - [ -0.0005288500000000, -0.0000005100000000, -0.0011277100000000 ] - [ -0.0001861600000000, -0.0001739400000000, -0.0010499400000000 ] - [ -0.0005364500000000, -0.0002915300000000, -0.0011521100000000 ] - [ -0.0003255200000000, -0.0004062800000000, -0.0012176400000000 ] - [ -0.0002280900000000, -0.0006050200000000, -0.0004758800000000 ] - [ -0.0002643800000000, -0.0005408600000000, -0.0003442200000000 ] - [ -0.0002117900000000, -0.0007311300000000, -0.0004259400000000 ] - [ -0.0002641400000000, -0.0006888800000000, -0.0004352600000000 ] - [ -0.0001515000000000, 0.0000293800000000, -0.0002643400000000 ] - [ -0.0003406800000000, 0.0004320900000000, -0.0002896700000000 ] - [ -0.0028695600000000, -0.0052713800000000, 0.0026830000000000 ] - [ -0.0002845300000000, 0.0006898100000000, -0.0003394000000000 ] - [ 0.0162022700000000, 0.1140783900000000, 0.0162641800000000 ] - [ 0.0005196400000000, -0.0010877800000000, -0.0000030100000000 ] - [ 0.0005663600000000, -0.0019400600000000, -0.0001512500000000 ] - [ 0.0004515000000000, -0.0015698200000000, -0.0000674300000000 ] - [ 0.0006895200000000, 0.0012242500000000, -0.0001101500000000 ] - [ 0.0005462000000000, 0.0013382900000000, -0.0000757600000000 ] - [ 0.0006263500000000, 0.0013548800000000, -0.0000813200000000 ] - [ 0.0005166800000000, 0.0014020400000000, -0.0000742400000000 ] - [ -0.0036255200000000, 0.0045316400000000, -0.0027468300000000 ] - [ 0.0011641000000000, 0.0058583000000000, -0.0007394400000000 ] - [ 0.0012960300000000, 0.0054184700000000, -0.0007785600000000 ] - [ 0.0010201500000000, 0.0055419200000000, -0.0008426400000000 ] - [ 0.0010991700000000, -0.0057002100000000, -0.0008132700000000 ] - [ 0.0008246100000000, -0.0057569100000000, -0.0008990000000000 ] - [ 0.0009993600000000, -0.0057004500000000, -0.0007965400000000 ] - [ 0.0011311200000000, -0.0056087700000000, -0.0008437000000000 ] - [ 0.0009289800000000, 0.0005705900000000, -0.0001152600000000 ] - [ -0.0019456500000000, -0.0001578900000000, -0.0013327700000000 ] - [ 0.0000289100000000, -0.0001783600000000, -0.0001570400000000 ] - [ 0.0001216600000000, -0.0000937600000000, -0.0000097100000000 ] - [ 0.0002707700000000, -0.0000624300000000, 0.0000441800000000 ] - [ -0.0000107500000000, -0.0001439900000000, 0.0000260700000000 ] - [ 0.0001146700000000, -0.0002509800000000, -0.0002060000000000 ] - [ 0.0001932900000000, -0.0002681300000000, -0.0001691400000000 ] - [ 0.0000161800000000, -0.0063242700000000, 0.0006128600000000 ] - [ 0.0000334700000000, -0.0058194500000000, 0.0007693600000000 ] - [ 0.0048053000000000, -0.0151980900000000, -0.0049295600000000 ] - [ -0.0002736500000000, -0.0056149200000000, 0.0009072000000000 ] - [ 0.0001788200000000, 0.0057603200000000, 0.0007561400000000 ] - [ 0.0000032100000000, 0.0057836300000000, 0.0007583900000000 ] - [ 0.0001991200000000, 0.0055609500000000, 0.0007480600000000 ] - [ 0.0000562300000000, 0.0056512600000000, 0.0007909700000000 ] - [ 0.0000553700000000, -0.0002120900000000, -0.0011239500000000 ] - [ -0.0001488300000000, -0.0002403700000000, -0.0011440900000000 ] - [ -0.0001951700000000, -0.0001744500000000, -0.0013940100000000 ] - [ -0.0000743000000000, -0.0002521000000000, -0.0014436300000000 ] - [ -0.0000633300000000, 0.0006770700000000, -0.0010461900000000 ] - [ 0.0012458900000000, 0.0010416800000000, -0.0001770700000000 ] - [ -0.0002095800000000, -0.0001802200000000, -0.0012453400000000 ] - [ -0.0001914500000000, -0.0002116100000000, -0.0012749500000000 ] - [ -0.0001242700000000, 0.0020394300000000, 0.0011024200000000 ] - [ -0.0013755200000000, 0.0019170800000000, 0.0003591800000000 ] - [ -0.0013374400000000, 0.0018623500000000, 0.0001854800000000 ] - [ -0.0010539300000000, 0.0019094700000000, 0.0003552400000000 ] - [ -0.0007265200000000, -0.0017638600000000, 0.0002127700000000 ] - [ -0.0013524300000000, -0.0016842300000000, 0.0001180400000000 ] - [ -0.0012638300000000, -0.0021931400000000, 0.0004031800000000 ] - [ -0.0010730600000000, -0.0020520400000000, 0.0003823600000000 ] - [ -0.0003808900000000, -0.0016229900000000, 0.0022179500000000 ] - [ 0.0006020400000000, -0.0011022600000000, 0.0009228600000000 ] - [ 0.0004445000000000, -0.0016951400000000, 0.0012611400000000 ] - [ 0.0002638300000000, -0.0015998700000000, 0.0012383200000000 ] - [ 0.0002136900000000, 0.0013142400000000, 0.0004843500000000 ] - [ 0.0004938400000000, 0.0015021500000000, 0.0011633800000000 ] - [ 0.0005233800000000, 0.0013652600000000, 0.0011512000000000 ] - [ 0.0003105600000000, 0.0014302500000000, 0.0012323500000000 ] - [ 0.0002084900000000, 0.0002638800000000, 0.0001566800000000 ] - [ 0.0082491100000000, -0.0062334300000000, -0.0031990100000000 ] - [ -0.0008181200000000, 0.0023898000000000, 0.0007968400000000 ] - [ -0.0008313000000000, 0.0027306800000000, 0.0006717800000000 ] - [ -0.0009184400000000, -0.0017549600000000, 0.0006615600000000 ] - [ -0.0008245900000000, -0.0014137700000000, 0.0011331000000000 ] - [ -0.0006429000000000, -0.0017664500000000, 0.0007396800000000 ] - [ -0.0010344900000000, -0.0017975700000000, 0.0007476500000000 ]- atom: 25 displacement: [ -0.0004071772244389, 0.0000000000853433, 0.0099917068966167 ] forces: - [ 0.0011901100000000, 0.0118795400000000, 0.0082556200000000 ] - [ -0.0002175800000000, 0.0003649900000000, -0.0007469200000000 ] - [ -0.0003494200000000, 0.0000433200000000, -0.0010995900000000 ] - [ -0.0002930300000000, 0.0002992000000000, -0.0011182500000000 ] - [ 0.0003680400000000, -0.0002048600000000, 0.0006856500000000 ] - [ 0.0016911400000000, 0.0006718500000000, 0.0003325500000000 ] - [ 0.0003618200000000, -0.0002376000000000, 0.0006983700000000 ] - [ 0.0006479900000000, -0.0002857100000000, 0.0007171700000000 ] - [ 0.0012418700000000, 0.0000237600000000, 0.0007408700000000 ] - [ -0.0000851300000000, -0.0006533500000000, 0.0008445400000000 ] - [ 0.0007391000000000, 0.0002415700000000, 0.0008752500000000 ] - [ 0.0003766700000000, 0.0001452200000000, 0.0010568600000000 ] - [ -0.0004468200000000, -0.0002370600000000, -0.0013279100000000 ] - [ -0.0003169800000000, -0.0002774700000000, -0.0012787300000000 ] - [ -0.0003377200000000, -0.0003737100000000, -0.0017424800000000 ] - [ -0.0003478500000000, -0.0003149100000000, -0.0013444900000000 ] - [ -0.0002680100000000, -0.0004982900000000, -0.0001130700000000 ] - [ -0.0002672800000000, -0.0005834200000000, -0.0003050700000000 ] - [ -0.0002358500000000, -0.0006212900000000, -0.0003366500000000 ] - [ -0.0002676800000000, -0.0006157900000000, -0.0003431700000000 ] - [ -0.0002446800000000, 0.0007230700000000, -0.0003822800000000 ] - [ -0.0002686600000000, 0.0006141800000000, -0.0004068000000000 ] - [ -0.0015726800000000, -0.0043900000000000, 0.0000233700000000 ] - [ -0.0002168500000000, 0.0006249900000000, -0.0005304000000000 ] - [ 0.0032592300000000, -0.0168853100000000, -0.0177978100000000 ] - [ 0.0004764700000000, -0.0014482200000000, -0.0001405400000000 ] - [ 0.0006109100000000, -0.0012966400000000, -0.0000620200000000 ] - [ 0.0005263300000000, -0.0013859200000000, -0.0000818700000000 ] - [ 0.0006125700000000, 0.0013335800000000, -0.0000277900000000 ] - [ 0.0005401900000000, 0.0013739500000000, -0.0000385700000000 ] - [ 0.0005752900000000, 0.0013656400000000, 0.0000103000000000 ] - [ 0.0005675100000000, 0.0013769000000000, -0.0000418400000000 ] - [ 0.0040358700000000, 0.0073109200000000, -0.0009686500000000 ] - [ 0.0009326800000000, 0.0055798800000000, -0.0010709000000000 ] - [ 0.0010163400000000, 0.0056828300000000, -0.0008661100000000 ] - [ 0.0010321100000000, 0.0056615700000000, -0.0008567400000000 ] - [ 0.0010844000000000, -0.0056547000000000, -0.0007629900000000 ] - [ 0.0010619900000000, -0.0056610800000000, -0.0007739400000000 ] - [ 0.0010784100000000, -0.0056790700000000, -0.0006850500000000 ] - [ 0.0010763900000000, -0.0056598700000000, -0.0007653900000000 ] - [ -0.0003505200000000, 0.0001662000000000, -0.0002766200000000 ] - [ 0.0000647100000000, 0.0000728000000000, -0.0008333500000000 ] - [ 0.0000876800000000, 0.0000716200000000, -0.0002149900000000 ] - [ 0.0001672600000000, 0.0002087000000000, -0.0002528500000000 ] - [ 0.0001651100000000, -0.0001335700000000, 0.0000000000000000 ] - [ 0.0000014100000000, -0.0002446000000000, 0.0003556900000000 ] - [ 0.0001531300000000, -0.0001373000000000, -0.0000492600000000 ] - [ 0.0001339100000000, -0.0001164200000000, -0.0000449400000000 ] - [ 0.0001708300000000, -0.0056051500000000, 0.0007784200000000 ] - [ 0.0000547800000000, -0.0057160100000000, 0.0007648600000000 ] - [ -0.0011866700000000, 0.0012117500000000, 0.0011958000000000 ] - [ 0.0001729100000000, -0.0057268900000000, 0.0006763900000000 ] - [ 0.0000571800000000, 0.0056348700000000, 0.0009135300000000 ] - [ 0.0000481800000000, 0.0057046800000000, 0.0008189900000000 ] - [ 0.0000833000000000, 0.0057101700000000, 0.0008241200000000 ] - [ 0.0000517600000000, 0.0057137100000000, 0.0008096500000000 ] - [ -0.0000554500000000, -0.0001792300000000, -0.0011499600000000 ] - [ -0.0001603000000000, -0.0003824400000000, -0.0010467600000000 ] - [ -0.0001154100000000, -0.0000794700000000, -0.0011480500000000 ] - [ -0.0001409300000000, -0.0000316200000000, -0.0011065400000000 ] - [ -0.0002650800000000, 0.0000459300000000, -0.0014198200000000 ] - [ 0.0018016800000000, -0.0005817600000000, -0.0007465800000000 ] - [ -0.0001596500000000, 0.0000818000000000, -0.0012646800000000 ] - [ -0.0001072600000000, 0.0001351300000000, -0.0012743400000000 ] - [ -0.0002926300000000, 0.0015599700000000, 0.0014336400000000 ] - [ -0.0014192600000000, 0.0018684700000000, 0.0003214000000000 ] - [ -0.0010628600000000, 0.0019901900000000, 0.0004126800000000 ] - [ -0.0011922000000000, 0.0019845600000000, 0.0003555200000000 ] - [ -0.0017028300000000, -0.0017983500000000, 0.0009133900000000 ] - [ -0.0010453200000000, -0.0018573400000000, 0.0004002300000000 ] - [ -0.0012373000000000, -0.0020406400000000, 0.0003758700000000 ] - [ -0.0011238400000000, -0.0019634200000000, 0.0003282300000000 ] - [ -0.0017198400000000, -0.0027083900000000, 0.0040573300000000 ] - [ 0.0004273100000000, -0.0015046400000000, 0.0012003200000000 ] - [ 0.0003681500000000, -0.0013564800000000, 0.0011516000000000 ] - [ 0.0004395000000000, -0.0014107700000000, 0.0011269800000000 ] - [ 0.0005386600000000, 0.0016901000000000, 0.0016021700000000 ] - [ 0.0002456400000000, 0.0015557300000000, 0.0013072000000000 ] - [ 0.0004650200000000, 0.0014255800000000, 0.0011584800000000 ] - [ 0.0003460400000000, 0.0014719000000000, 0.0012233600000000 ] - [ -0.0010808500000000, 0.0023809200000000, 0.0013078900000000 ] - [ -0.0056917300000000, 0.0042867200000000, 0.0035497900000000 ] - [ -0.0007782800000000, 0.0018534400000000, 0.0008243300000000 ] - [ -0.0009819500000000, 0.0016046800000000, 0.0008037400000000 ] - [ -0.0008146300000000, -0.0018587100000000, 0.0004777100000000 ] - [ -0.0009778100000000, -0.0017836800000000, 0.0002390200000000 ] - [ -0.0007893200000000, -0.0017943900000000, 0.0005064200000000 ] - [ -0.0009594400000000, -0.0017710700000000, 0.0003894500000000 ]- atom: 25 displacement: [ 0.0004071772244389, -0.0000000000853433, -0.0099917068966167 ] forces: - [ -0.0018359700000000, -0.0109734700000000, -0.0104457700000000 ] - [ -0.0005146200000000, 0.0002153000000000, -0.0015901100000000 ] - [ -0.0003815400000000, 0.0005258700000000, -0.0012340700000000 ] - [ -0.0004396200000000, 0.0002784000000000, -0.0012213900000000 ] - [ 0.0006572500000000, -0.0000592200000000, 0.0010024100000000 ] - [ -0.0006651400000000, -0.0009408200000000, 0.0013575600000000 ] - [ 0.0006656300000000, -0.0000309000000000, 0.0009933300000000 ] - [ 0.0003808200000000, 0.0000170700000000, 0.0009753700000000 ] - [ -0.0002061500000000, 0.0002469600000000, 0.0009474800000000 ] - [ 0.0011101600000000, 0.0009256200000000, 0.0008435600000000 ] - [ 0.0002906800000000, 0.0000229400000000, 0.0008168200000000 ] - [ 0.0006532900000000, 0.0001193800000000, 0.0006345400000000 ] - [ -0.0002851800000000, -0.0003416300000000, -0.0010119000000000 ] - [ -0.0004164300000000, -0.0003010400000000, -0.0010605800000000 ] - [ -0.0003939600000000, -0.0002056800000000, -0.0005976600000000 ] - [ -0.0003850000000000, -0.0002630700000000, -0.0009937600000000 ] - [ -0.0002276800000000, -0.0007366400000000, -0.0006570600000000 ] - [ -0.0002279700000000, -0.0006522900000000, -0.0004664500000000 ] - [ -0.0002598200000000, -0.0006139100000000, -0.0004340200000000 ] - [ -0.0002274600000000, -0.0006193900000000, -0.0004279300000000 ] - [ -0.0002516400000000, 0.0005182900000000, -0.0003896300000000 ] - [ -0.0002264100000000, 0.0006218700000000, -0.0003644700000000 ] - [ 0.0010733900000000, 0.0056063900000000, -0.0008004800000000 ] - [ -0.0002781900000000, 0.0006105700000000, -0.0002411400000000 ] - [ -0.0022521700000000, 0.0138222800000000, 0.0174515200000000 ] - [ 0.0006717700000000, -0.0013049300000000, -0.0000081900000000 ] - [ 0.0005380700000000, -0.0014526900000000, -0.0000866000000000 ] - [ 0.0006225200000000, -0.0013658300000000, -0.0000666300000000 ] - [ 0.0005353500000000, 0.0014187000000000, -0.0001203700000000 ] - [ 0.0006086400000000, 0.0013783400000000, -0.0001100500000000 ] - [ 0.0005727800000000, 0.0013873000000000, -0.0001587200000000 ] - [ 0.0005815400000000, 0.0013754300000000, -0.0001068700000000 ] - [ -0.0019336600000000, 0.0040028800000000, -0.0006751400000000 ] - [ 0.0011643100000000, 0.0057352100000000, -0.0005848200000000 ] - [ 0.0010800500000000, 0.0056336700000000, -0.0007899600000000 ] - [ 0.0010672700000000, 0.0056540100000000, -0.0007979300000000 ] - [ 0.0010137400000000, -0.0056604900000000, -0.0008918000000000 ] - [ 0.0010377400000000, -0.0056537100000000, -0.0008807000000000 ] - [ 0.0010205700000000, -0.0056357200000000, -0.0009696000000000 ] - [ 0.0010221800000000, -0.0056553000000000, -0.0008894900000000 ] - [ 0.0006297200000000, 0.0001407900000000, 0.0000132700000000 ] - [ 0.0002164100000000, 0.0002310900000000, 0.0005692400000000 ] - [ 0.0001948900000000, 0.0002396900000000, -0.0000466400000000 ] - [ 0.0001155000000000, 0.0001024400000000, -0.0000088400000000 ] - [ 0.0001177700000000, -0.0001776000000000, -0.0002622900000000 ] - [ 0.0002824000000000, -0.0000663200000000, -0.0006208300000000 ] - [ 0.0001294300000000, -0.0001726900000000, -0.0002134100000000 ] - [ 0.0001486500000000, -0.0001937200000000, -0.0002183000000000 ] - [ 0.0000006100000000, -0.0058216900000000, 0.0007685600000000 ] - [ 0.0001153300000000, -0.0057132300000000, 0.0007826200000000 ] - [ 0.0013619800000000, -0.0126675600000000, 0.0003751200000000 ] - [ -0.0000010100000000, -0.0057031200000000, 0.0008703700000000 ] - [ 0.0001131000000000, 0.0057955000000000, 0.0006334100000000 ] - [ 0.0001233100000000, 0.0057255000000000, 0.0007276700000000 ] - [ 0.0000872300000000, 0.0057203200000000, 0.0007227500000000 ] - [ 0.0001194700000000, 0.0057167400000000, 0.0007369600000000 ] - [ -0.0002077300000000, -0.0000371800000000, -0.0013425600000000 ] - [ -0.0001025600000000, 0.0001669500000000, -0.0014465000000000 ] - [ -0.0001471200000000, -0.0001364400000000, -0.0013442300000000 ] - [ -0.0001223500000000, -0.0001837500000000, -0.0013859800000000 ] - [ 0.0000019000000000, 0.0001697500000000, -0.0010732300000000 ] - [ -0.0020487900000000, 0.0007862600000000, -0.0017517300000000 ] - [ -0.0001030100000000, 0.0001378900000000, -0.0012276600000000 ] - [ -0.0001549100000000, 0.0000845000000000, -0.0012178900000000 ] - [ -0.0020212500000000, 0.0023719000000000, -0.0007581200000000 ] - [ -0.0008746400000000, 0.0020509900000000, 0.0003801300000000 ] - [ -0.0012315900000000, 0.0019298400000000, 0.0002888000000000 ] - [ -0.0011024800000000, 0.0019349400000000, 0.0003455600000000 ] - [ -0.0006049500000000, -0.0021189700000000, -0.0001970500000000 ] - [ -0.0012510000000000, -0.0020622100000000, 0.0002998300000000 ] - [ -0.0010593800000000, -0.0018773800000000, 0.0003240000000000 ] - [ -0.0011723700000000, -0.0019551700000000, 0.0003717100000000 ] - [ 0.0025533000000000, -0.0001954000000000, -0.0017424100000000 ] - [ 0.0003742100000000, -0.0014107700000000, 0.0011585800000000 ] - [ 0.0004325800000000, -0.0015570500000000, 0.0012060600000000 ] - [ 0.0003617600000000, -0.0015028500000000, 0.0012307900000000 ] - [ 0.0002666400000000, 0.0012284700000000, 0.0007650700000000 ] - [ 0.0005541400000000, 0.0013589500000000, 0.0010511700000000 ] - [ 0.0003350800000000, 0.0014896900000000, 0.0011996600000000 ] - [ 0.0004546300000000, 0.0014430400000000, 0.0011344500000000 ] - [ -0.0006713500000000, 0.0012594300000000, 0.0000710900000000 ] - [ 0.0039986600000000, -0.0006509000000000, -0.0021193900000000 ] - [ -0.0009665900000000, 0.0017775400000000, 0.0005499400000000 ] - [ -0.0007651300000000, 0.0020255300000000, 0.0005704700000000 ] - [ -0.0009304300000000, -0.0017757600000000, 0.0008954400000000 ] - [ -0.0007674100000000, -0.0018524300000000, 0.0011335600000000 ] - [ -0.0009564600000000, -0.0018409000000000, 0.0008670000000000 ] - [ -0.0007853200000000, -0.0018644100000000, 0.0009844600000000 ]- atom: 33 displacement: [ 0.0099999999133341, -0.0000000001139357, 0.0000013165557043 ] forces: - [ 0.0511160100000000, 0.0002291400000000, 0.0332135500000000 ] - [ -0.0043724600000000, 0.0014837700000000, 0.0000515600000000 ] - [ 0.0003726700000000, 0.0006444800000000, -0.0010569100000000 ] - [ -0.0009946800000000, 0.0002829900000000, -0.0011561900000000 ] - [ 0.0033944200000000, 0.0016681500000000, -0.0006059700000000 ] - [ -0.0007699900000000, -0.0006745200000000, 0.0011461800000000 ] - [ 0.0015246600000000, -0.0008450800000000, 0.0010557500000000 ] - [ -0.0002270400000000, 0.0001584900000000, 0.0008676100000000 ] - [ 0.0019143600000000, 0.0012341600000000, 0.0030776900000000 ] - [ -0.0004370600000000, -0.0006474700000000, -0.0000557900000000 ] - [ 0.0011418200000000, 0.0002855000000000, 0.0011198500000000 ] - [ 0.0000514200000000, 0.0003689600000000, 0.0006180400000000 ] - [ 0.0001290000000000, -0.0003124700000000, -0.0011031900000000 ] - [ -0.0008991400000000, 0.0000153200000000, -0.0013014600000000 ] - [ 0.0002109600000000, -0.0001261500000000, -0.0011563200000000 ] - [ -0.0009896400000000, -0.0005126400000000, -0.0015310400000000 ] - [ -0.0002351000000000, -0.0007041100000000, -0.0008038900000000 ] - [ -0.0001061300000000, -0.0004933900000000, -0.0001841400000000 ] - [ -0.0003575700000000, -0.0006422300000000, -0.0003948700000000 ] - [ -0.0001293900000000, -0.0006784600000000, -0.0003842000000000 ] - [ -0.0004851400000000, 0.0005316800000000, -0.0003116500000000 ] - [ -0.0000928200000000, 0.0006296600000000, -0.0004156200000000 ] - [ 0.0006953900000000, -0.0008361000000000, 0.0050410500000000 ] - [ 0.0004108700000000, 0.0007056800000000, -0.0009158000000000 ] - [ 0.0062004900000000, 0.0033173000000000, 0.0031648900000000 ] - [ 0.0008893200000000, -0.0014858200000000, -0.0001758700000000 ] - [ 0.0004221700000000, -0.0016214200000000, -0.0001100500000000 ] - [ 0.0006999800000000, -0.0013438700000000, -0.0000845100000000 ] - [ 0.0003752200000000, 0.0014232300000000, -0.0000444100000000 ] - [ 0.0008192400000000, 0.0011495300000000, -0.0000504200000000 ] - [ 0.0004490100000000, 0.0013246700000000, -0.0000478000000000 ] - [ 0.0007499900000000, 0.0014552700000000, -0.0000381500000000 ] - [ -0.0853831400000000, 0.0144326300000000, -0.0372320600000000 ] - [ 0.0033453000000000, 0.0052614400000000, -0.0004172700000000 ] - [ 0.0006878700000000, 0.0056236000000000, -0.0009513800000000 ] - [ 0.0013859100000000, 0.0055998100000000, -0.0007603800000000 ] - [ 0.0006984100000000, -0.0057606100000000, -0.0008805600000000 ] - [ 0.0013653300000000, -0.0056261500000000, -0.0007271600000000 ] - [ 0.0005353000000000, -0.0057959600000000, -0.0008927200000000 ] - [ 0.0014976600000000, -0.0055611900000000, -0.0006813800000000 ] - [ -0.0001130700000000, -0.0021556800000000, -0.0028282800000000 ] - [ 0.0006438200000000, 0.0004057400000000, 0.0001321000000000 ] - [ 0.0001156900000000, 0.0001607200000000, -0.0003264000000000 ] - [ 0.0001754900000000, -0.0000081000000000, -0.0000008700000000 ] - [ -0.0000933400000000, -0.0002740300000000, 0.0002953400000000 ] - [ 0.0002843600000000, -0.0001143500000000, -0.0002369400000000 ] - [ -0.0000184900000000, 0.0000225200000000, -0.0001516100000000 ] - [ 0.0002551600000000, -0.0002610200000000, -0.0001265000000000 ] - [ 0.0000006100000000, -0.0057175900000000, 0.0007935000000000 ] - [ 0.0002323700000000, -0.0058244200000000, 0.0006712200000000 ] - [ 0.0108260300000000, -0.0065299500000000, 0.0015407800000000 ] - [ 0.0073055300000000, -0.0037850100000000, -0.0000023900000000 ] - [ 0.0000123400000000, 0.0055978700000000, 0.0008918300000000 ] - [ 0.0002378900000000, 0.0058420700000000, 0.0007495300000000 ] - [ -0.0000615000000000, 0.0057209300000000, 0.0008197500000000 ] - [ 0.0002454900000000, 0.0055929200000000, 0.0007707800000000 ] - [ -0.0003430300000000, -0.0005884100000000, -0.0008857700000000 ] - [ -0.0000357000000000, 0.0000419300000000, -0.0013708400000000 ] - [ -0.0001919300000000, 0.0004114500000000, -0.0006483900000000 ] - [ -0.0000060500000000, -0.0002958600000000, -0.0014080000000000 ] - [ 0.0000976700000000, -0.0008896600000000, -0.0056162200000000 ] - [ 0.0004138200000000, 0.0005304100000000, -0.0005420300000000 ] - [ -0.0002307900000000, 0.0000224300000000, -0.0013002700000000 ] - [ -0.0000779500000000, 0.0000222000000000, -0.0012048400000000 ] - [ -0.0022843300000000, 0.0019052900000000, 0.0001105000000000 ] - [ -0.0006229300000000, 0.0020309100000000, 0.0004724300000000 ] - [ -0.0017969600000000, 0.0018147000000000, -0.0000511100000000 ] - [ -0.0007641300000000, 0.0019181600000000, 0.0004685900000000 ] - [ -0.0020526000000000, -0.0019845200000000, -0.0001168400000000 ] - [ -0.0006628800000000, -0.0018696100000000, 0.0006181300000000 ] - [ -0.0014553000000000, -0.0020677000000000, 0.0002726300000000 ] - [ -0.0008902900000000, -0.0019802800000000, 0.0004606100000000 ] - [ 0.0011355100000000, -0.0008375900000000, 0.0003981800000000 ] - [ 0.0011353600000000, -0.0049590000000000, 0.0051327300000000 ] - [ 0.0005995200000000, -0.0015244700000000, 0.0011179400000000 ] - [ 0.0001995500000000, -0.0013791100000000, 0.0011544400000000 ] - [ 0.0004230200000000, 0.0017162000000000, 0.0015768200000000 ] - [ 0.0005270500000000, 0.0010549100000000, 0.0005932200000000 ] - [ 0.0005662600000000, 0.0014124000000000, 0.0012379300000000 ] - [ 0.0002403600000000, 0.0015001400000000, 0.0011672100000000 ] - [ 0.0103847400000000, -0.0059068500000000, -0.0039405100000000 ] - [ -0.0046398100000000, 0.0002276500000000, 0.0008476100000000 ] - [ -0.0006492300000000, 0.0018879700000000, 0.0007754900000000 ] - [ -0.0011840300000000, 0.0021041000000000, 0.0007131400000000 ] - [ -0.0008253300000000, -0.0014110500000000, 0.0006310500000000 ] - [ -0.0009205800000000, -0.0020225900000000, 0.0004771800000000 ] - [ -0.0005802600000000, -0.0019988000000000, 0.0003433600000000 ] - [ -0.0011606400000000, -0.0017158100000000, 0.0006387700000000 ]- atom: 33 displacement: [ -0.0099999999133341, 0.0000000001139357, -0.0000013165557043 ] forces: - [ -0.0497368200000000, 0.0003896100000000, -0.0336632900000000 ] - [ 0.0036517800000000, -0.0009244900000000, -0.0024116100000000 ] - [ -0.0011025500000000, -0.0000648500000000, -0.0012829700000000 ] - [ 0.0002623200000000, 0.0002978300000000, -0.0011846700000000 ] - [ -0.0023969300000000, -0.0019416500000000, 0.0022990600000000 ] - [ 0.0017985100000000, 0.0004059600000000, 0.0005483700000000 ] - [ -0.0005078300000000, 0.0005780600000000, 0.0006309700000000 ] - [ 0.0012563900000000, -0.0004246300000000, 0.0008275600000000 ] - [ -0.0008890900000000, -0.0009698100000000, -0.0013822200000000 ] - [ 0.0014656900000000, 0.0009139100000000, 0.0017455100000000 ] - [ -0.0001154600000000, -0.0000194800000000, 0.0005743700000000 ] - [ 0.0009796400000000, -0.0001010900000000, 0.0010701200000000 ] - [ -0.0008606400000000, -0.0002673700000000, -0.0012380200000000 ] - [ 0.0001666200000000, -0.0005962900000000, -0.0010375600000000 ] - [ -0.0009424100000000, -0.0004592400000000, -0.0011907600000000 ] - [ 0.0002564600000000, -0.0000654700000000, -0.0008054800000000 ] - [ -0.0002569500000000, -0.0005261100000000, 0.0000401400000000 ] - [ -0.0003869500000000, -0.0007415600000000, -0.0005832600000000 ] - [ -0.0001358300000000, -0.0005915500000000, -0.0003694600000000 ] - [ -0.0003638000000000, -0.0005549100000000, -0.0003809900000000 ] - [ -0.0000082700000000, 0.0007027000000000, -0.0004537300000000 ] - [ -0.0004002500000000, 0.0006044400000000, -0.0003489200000000 ] - [ -0.0012214200000000, 0.0020740600000000, -0.0058100500000000 ] - [ -0.0009058300000000, 0.0005292200000000, 0.0001563900000000 ] - [ -0.0050348900000000, -0.0060178900000000, -0.0032695400000000 ] - [ 0.0002766600000000, -0.0012550700000000, 0.0000288100000000 ] - [ 0.0007255100000000, -0.0011236700000000, -0.0000357800000000 ] - [ 0.0004500300000000, -0.0014025400000000, -0.0000616500000000 ] - [ 0.0007727700000000, 0.0013227500000000, -0.0001012000000000 ] - [ 0.0003302700000000, 0.0015974400000000, -0.0000962600000000 ] - [ 0.0006981200000000, 0.0014234300000000, -0.0000976200000000 ] - [ 0.0003997800000000, 0.0012901700000000, -0.0001085000000000 ] - [ 0.0861129800000000, -0.0036967300000000, 0.0333380200000000 ] - [ -0.0012508400000000, 0.0060610600000000, -0.0012390500000000 ] - [ 0.0014077200000000, 0.0056957600000000, -0.0007067600000000 ] - [ 0.0007103800000000, 0.0057190600000000, -0.0008973000000000 ] - [ 0.0013979700000000, -0.0055580200000000, -0.0007773400000000 ] - [ 0.0007305100000000, -0.0056925700000000, -0.0009311900000000 ] - [ 0.0015631800000000, -0.0055217300000000, -0.0007643400000000 ] - [ 0.0005973300000000, -0.0057577400000000, -0.0009773600000000 ] - [ 0.0004034000000000, 0.0024710600000000, 0.0025701200000000 ] - [ -0.0003591000000000, -0.0000973800000000, -0.0003945100000000 ] - [ 0.0001701500000000, 0.0001482000000000, 0.0000627800000000 ] - [ 0.0001085800000000, 0.0003151900000000, -0.0002611900000000 ] - [ 0.0003811300000000, -0.0000340700000000, -0.0005612500000000 ] - [ 0.0000003900000000, -0.0001938300000000, -0.0000289500000000 ] - [ 0.0003048400000000, -0.0003316100000000, -0.0001123000000000 ] - [ 0.0000296800000000, -0.0000474700000000, -0.0001396300000000 ] - [ 0.0001679200000000, -0.0057098300000000, 0.0007500800000000 ] - [ -0.0000624100000000, -0.0056024500000000, 0.0008719400000000 ] - [ -0.0104908100000000, -0.0049341700000000, 0.0000186400000000 ] - [ -0.0072510100000000, -0.0076886100000000, 0.0015482500000000 ] - [ 0.0001551300000000, 0.0058310900000000, 0.0006514100000000 ] - [ -0.0000666700000000, 0.0055853800000000, 0.0007922200000000 ] - [ 0.0002307500000000, 0.0057068200000000, 0.0007228900000000 ] - [ -0.0000747000000000, 0.0058352700000000, 0.0007711200000000 ] - [ 0.0000802300000000, 0.0003758200000000, -0.0016090600000000 ] - [ -0.0002304000000000, -0.0002556500000000, -0.0011241700000000 ] - [ -0.0000731700000000, -0.0006309400000000, -0.0018522100000000 ] - [ -0.0002606800000000, 0.0000813700000000, -0.0010880400000000 ] - [ -0.0003591500000000, 0.0011080300000000, 0.0031545700000000 ] - [ -0.0006801700000000, -0.0003129100000000, -0.0019498900000000 ] - [ -0.0000340700000000, 0.0001958900000000, -0.0011935000000000 ] - [ -0.0001877800000000, 0.0001939400000000, -0.0012883400000000 ] - [ 0.0000024400000000, 0.0020035300000000, 0.0005979400000000 ] - [ -0.0016655300000000, 0.0018894400000000, 0.0002262700000000 ] - [ -0.0004886300000000, 0.0021112800000000, 0.0007555800000000 ] - [ -0.0015247000000000, 0.0020013100000000, 0.0002293800000000 ] - [ -0.0002351200000000, -0.0019352300000000, 0.0008142800000000 ] - [ -0.0016262500000000, -0.0020494000000000, 0.0000803500000000 ] - [ -0.0008334700000000, -0.0018507700000000, 0.0004251200000000 ] - [ -0.0013991900000000, -0.0019392500000000, 0.0002381200000000 ] - [ -0.0003408500000000, -0.0020776900000000, 0.0019604300000000 ] - [ -0.0003543400000000, 0.0020875500000000, -0.0028218200000000 ] - [ 0.0001950200000000, -0.0013929500000000, 0.0012426600000000 ] - [ 0.0005979900000000, -0.0015372300000000, 0.0012058300000000 ] - [ 0.0003715100000000, 0.0012013200000000, 0.0007836800000000 ] - [ 0.0002688800000000, 0.0018619800000000, 0.0017654000000000 ] - [ 0.0002274200000000, 0.0015056300000000, 0.0011225400000000 ] - [ 0.0005563000000000, 0.0014161500000000, 0.0011916100000000 ] - [ -0.0128759400000000, 0.0100899700000000, 0.0056381400000000 ] - [ 0.0028908400000000, 0.0033896500000000, 0.0005187500000000 ] - [ -0.0011016200000000, 0.0017430700000000, 0.0005960300000000 ] - [ -0.0005611000000000, 0.0015305400000000, 0.0006592100000000 ] - [ -0.0009233500000000, -0.0022229800000000, 0.0007432200000000 ] - [ -0.0008244100000000, -0.0016122500000000, 0.0008959700000000 ] - [ -0.0011693700000000, -0.0016347100000000, 0.0010315300000000 ] - [ -0.0005825200000000, -0.0019190700000000, 0.0007363000000000 ]- atom: 33 displacement: [ -0.0000000001462832, 0.0100000000000000, 0.0000000001023983 ] forces: - [ 0.0035910800000000, 0.0073219200000000, 0.0033994300000000 ] - [ 0.0001360100000000, 0.0004574000000000, -0.0010468800000000 ] - [ -0.0005077600000000, -0.0002626700000000, -0.0010381700000000 ] - [ -0.0002673000000000, 0.0000722500000000, -0.0011717700000000 ] - [ 0.0002388500000000, -0.0002779700000000, 0.0015633400000000 ] - [ 0.0006472100000000, -0.0001183100000000, 0.0008772200000000 ] - [ -0.0000955700000000, -0.0001351400000000, 0.0004671600000000 ] - [ 0.0006617500000000, -0.0002453800000000, 0.0008144600000000 ] - [ 0.0005679200000000, 0.0006762900000000, -0.0007835900000000 ] - [ 0.0004771800000000, 0.0004254100000000, 0.0007373700000000 ] - [ 0.0002793500000000, -0.0002320900000000, 0.0012646700000000 ] - [ 0.0006460800000000, -0.0000524800000000, 0.0008610100000000 ] - [ -0.0004807000000000, -0.0004013400000000, -0.0012128000000000 ] - [ -0.0002474800000000, -0.0004567100000000, -0.0011781500000000 ] - [ -0.0004184700000000, -0.0004444000000000, -0.0013966200000000 ] - [ -0.0002864500000000, -0.0001610500000000, -0.0011109400000000 ] - [ -0.0002482700000000, -0.0005277100000000, -0.0001466600000000 ] - [ -0.0002596700000000, -0.0006745400000000, -0.0004222600000000 ] - [ -0.0002200700000000, -0.0005416600000000, -0.0003525700000000 ] - [ -0.0002766900000000, -0.0005615700000000, -0.0003488600000000 ] - [ -0.0001650900000000, 0.0008322400000000, -0.0004869900000000 ] - [ -0.0002599100000000, 0.0006806300000000, -0.0004045600000000 ] - [ -0.0019658200000000, -0.0000833300000000, -0.0040620100000000 ] - [ -0.0003228200000000, 0.0005604200000000, -0.0003555500000000 ] - [ 0.0053531600000000, -0.0002380400000000, 0.0017844100000000 ] - [ 0.0006423000000000, -0.0015675600000000, -0.0001469500000000 ] - [ 0.0005967600000000, -0.0011262700000000, -0.0000463700000000 ] - [ 0.0006328500000000, -0.0012508400000000, -0.0000656900000000 ] - [ 0.0006208300000000, 0.0014092500000000, -0.0000732500000000 ] - [ 0.0004925700000000, 0.0014663000000000, -0.0000718700000000 ] - [ 0.0005435700000000, 0.0014094100000000, -0.0000519400000000 ] - [ 0.0006091000000000, 0.0013179800000000, -0.0000686900000000 ] - [ 0.0103769200000000, -0.0142651600000000, -0.0098059400000000 ] - [ 0.0006432200000000, 0.0055992000000000, -0.0009323900000000 ] - [ 0.0010086300000000, 0.0058029000000000, -0.0008252000000000 ] - [ 0.0009845700000000, 0.0057129100000000, -0.0008391800000000 ] - [ 0.0011461700000000, -0.0056118900000000, -0.0008103600000000 ] - [ 0.0010108500000000, -0.0056419200000000, -0.0008395300000000 ] - [ 0.0011816900000000, -0.0056260700000000, -0.0007725600000000 ] - [ 0.0009456900000000, -0.0056985000000000, -0.0008502200000000 ] - [ -0.0001711800000000, 0.0021733700000000, 0.0023228000000000 ] - [ 0.0003140100000000, 0.0001598600000000, -0.0000256600000000 ] - [ 0.0002414200000000, 0.0005147800000000, -0.0003715800000000 ] - [ 0.0001330400000000, 0.0002237400000000, -0.0001713700000000 ] - [ 0.0001825200000000, -0.0001941300000000, -0.0003196200000000 ] - [ 0.0001411800000000, -0.0001744700000000, -0.0001348200000000 ] - [ 0.0002010200000000, -0.0001319800000000, -0.0000295200000000 ] - [ 0.0001091400000000, -0.0001054300000000, -0.0001291000000000 ] - [ 0.0001244100000000, -0.0055524600000000, 0.0007926800000000 ] - [ 0.0000563900000000, -0.0055975800000000, 0.0008128100000000 ] - [ -0.0038383400000000, -0.0069144400000000, 0.0003758800000000 ] - [ -0.0001545500000000, -0.0061411200000000, 0.0006894600000000 ] - [ 0.0000067900000000, 0.0057314000000000, 0.0007853500000000 ] - [ 0.0000961700000000, 0.0056216200000000, 0.0008009800000000 ] - [ 0.0001009300000000, 0.0057577600000000, 0.0007631400000000 ] - [ 0.0000349700000000, 0.0057924300000000, 0.0007608700000000 ] - [ -0.0001779800000000, 0.0000937300000000, -0.0014398000000000 ] - [ -0.0001487700000000, -0.0001064800000000, -0.0012443100000000 ] - [ 0.0000307100000000, -0.0000968200000000, -0.0009902500000000 ] - [ -0.0001725500000000, -0.0000417200000000, -0.0012065100000000 ] - [ -0.0004865600000000, -0.0002590700000000, 0.0000923600000000 ] - [ -0.0001004000000000, -0.0001896700000000, -0.0012382700000000 ] - [ -0.0000313200000000, 0.0004019200000000, -0.0013232500000000 ] - [ -0.0001374100000000, 0.0002055800000000, -0.0012491100000000 ] - [ -0.0009201700000000, 0.0035081700000000, -0.0006715400000000 ] - [ -0.0012148000000000, 0.0019506400000000, 0.0003149500000000 ] - [ -0.0009892800000000, 0.0028147300000000, 0.0010124800000000 ] - [ -0.0012074100000000, 0.0019795900000000, 0.0003342200000000 ] - [ -0.0009168300000000, -0.0020555200000000, 0.0006630000000000 ] - [ -0.0011735000000000, -0.0020037400000000, 0.0003455600000000 ] - [ -0.0011033500000000, -0.0018726800000000, 0.0002872500000000 ] - [ -0.0011997600000000, -0.0019328900000000, 0.0003277500000000 ] - [ 0.0003551700000000, -0.0015436500000000, 0.0012007200000000 ] - [ -0.0003820700000000, -0.0002689700000000, -0.0006962600000000 ] - [ 0.0003599400000000, -0.0014118600000000, 0.0011667000000000 ] - [ 0.0005373000000000, -0.0013705400000000, 0.0011667200000000 ] - [ 0.0004117000000000, 0.0014448300000000, 0.0012253800000000 ] - [ 0.0002428500000000, 0.0015600700000000, 0.0015434300000000 ] - [ 0.0003185600000000, 0.0015009500000000, 0.0012005500000000 ] - [ 0.0004802800000000, 0.0014425200000000, 0.0010994200000000 ] - [ -0.0114933900000000, 0.0088511600000000, 0.0059628400000000 ] - [ -0.0011263500000000, 0.0032884400000000, 0.0012751500000000 ] - [ -0.0010352400000000, 0.0013038200000000, 0.0005831600000000 ] - [ -0.0007902700000000, 0.0015547500000000, 0.0006798500000000 ] - [ -0.0008842700000000, -0.0019893300000000, 0.0006551600000000 ] - [ -0.0008929200000000, -0.0018602500000000, 0.0006310400000000 ] - [ -0.0010340600000000, -0.0017503300000000, 0.0006303000000000 ] - [ -0.0007080300000000, -0.0018526300000000, 0.0006884900000000 ]- atom: 33 displacement: [ 0.0000000001462832, -0.0100000000000000, -0.0000000001023983 ] forces: - [ -0.0046102100000000, -0.0068412900000000, -0.0059670900000000 ] - [ -0.0008623100000000, 0.0001178100000000, -0.0012966000000000 ] - [ -0.0002259400000000, 0.0008430500000000, -0.0013030100000000 ] - [ -0.0004625500000000, 0.0005083700000000, -0.0011691300000000 ] - [ 0.0007824800000000, 0.0000135600000000, 0.0001242600000000 ] - [ 0.0003831400000000, -0.0001476400000000, 0.0008136600000000 ] - [ 0.0011245600000000, -0.0001286100000000, 0.0012242400000000 ] - [ 0.0003667600000000, -0.0000230300000000, 0.0008780300000000 ] - [ 0.0004602500000000, -0.0004000100000000, 0.0024696000000000 ] - [ 0.0005532300000000, -0.0001566200000000, 0.0009561600000000 ] - [ 0.0007476900000000, 0.0004987500000000, 0.0004227300000000 ] - [ 0.0003839600000000, 0.0003189400000000, 0.0008306500000000 ] - [ -0.0002524000000000, -0.0001780400000000, -0.0011260400000000 ] - [ -0.0004834100000000, -0.0001236700000000, -0.0011612000000000 ] - [ -0.0003153500000000, -0.0001346900000000, -0.0009388900000000 ] - [ -0.0004436100000000, -0.0004199400000000, -0.0012271400000000 ] - [ -0.0002448100000000, -0.0007075100000000, -0.0006198500000000 ] - [ -0.0002336700000000, -0.0005596300000000, -0.0003433600000000 ] - [ -0.0002725300000000, -0.0006929700000000, -0.0004128200000000 ] - [ -0.0002164400000000, -0.0006727100000000, -0.0004162200000000 ] - [ -0.0003272500000000, 0.0004012100000000, -0.0002777800000000 ] - [ -0.0002331200000000, 0.0005530100000000, -0.0003599700000000 ] - [ 0.0014650200000000, 0.0013375200000000, 0.0032946000000000 ] - [ -0.0001709200000000, 0.0006738700000000, -0.0004079200000000 ] - [ -0.0041799600000000, -0.0025036900000000, -0.0019166400000000 ] - [ 0.0005095800000000, -0.0011779600000000, 0.0000013000000000 ] - [ 0.0005527700000000, -0.0016197800000000, -0.0000992200000000 ] - [ 0.0005154000000000, -0.0014961000000000, -0.0000798200000000 ] - [ 0.0005287400000000, 0.0013357600000000, -0.0000726300000000 ] - [ 0.0006562500000000, 0.0012795600000000, -0.0000740800000000 ] - [ 0.0006061200000000, 0.0013366900000000, -0.0000943100000000 ] - [ 0.0005386700000000, 0.0014280000000000, -0.0000776300000000 ] - [ -0.0077438300000000, 0.0256123200000000, 0.0083015300000000 ] - [ 0.0014505200000000, 0.0057200700000000, -0.0007260300000000 ] - [ 0.0010889800000000, 0.0055148700000000, -0.0008320600000000 ] - [ 0.0011116400000000, 0.0056057300000000, -0.0008185600000000 ] - [ 0.0009505900000000, -0.0057073600000000, -0.0008475900000000 ] - [ 0.0010850700000000, -0.0056773900000000, -0.0008185200000000 ] - [ 0.0009160600000000, -0.0056922600000000, -0.0008859600000000 ] - [ 0.0011499000000000, -0.0056205900000000, -0.0008081000000000 ] - [ 0.0004540200000000, -0.0018364300000000, -0.0025585600000000 ] - [ -0.0000293500000000, 0.0001471800000000, -0.0002376500000000 ] - [ 0.0000424000000000, -0.0002132000000000, 0.0001145000000000 ] - [ 0.0001526200000000, 0.0000842600000000, -0.0000916000000000 ] - [ 0.0001037300000000, -0.0001143500000000, 0.0000552500000000 ] - [ 0.0001441200000000, -0.0001342800000000, -0.0001294700000000 ] - [ 0.0000848900000000, -0.0001781600000000, -0.0002363600000000 ] - [ 0.0001764300000000, -0.0002029700000000, -0.0001357900000000 ] - [ 0.0000452300000000, -0.0058756800000000, 0.0007504900000000 ] - [ 0.0001122700000000, -0.0058299800000000, 0.0007309000000000 ] - [ 0.0040034100000000, -0.0044946000000000, 0.0011679100000000 ] - [ 0.0003187400000000, -0.0052781000000000, 0.0008595000000000 ] - [ 0.0001641700000000, 0.0056964600000000, 0.0007561100000000 ] - [ 0.0000735600000000, 0.0058064500000000, 0.0007410800000000 ] - [ 0.0000697800000000, 0.0056693200000000, 0.0007792700000000 ] - [ 0.0001349900000000, 0.0056348000000000, 0.0007817400000000 ] - [ -0.0000868400000000, -0.0003084600000000, -0.0010536800000000 ] - [ -0.0001167100000000, -0.0001090100000000, -0.0012492000000000 ] - [ -0.0002962500000000, -0.0001223800000000, -0.0015089600000000 ] - [ -0.0000929400000000, -0.0001727700000000, -0.0012873700000000 ] - [ 0.0002240600000000, 0.0004708200000000, -0.0025902500000000 ] - [ -0.0001656500000000, 0.0004052200000000, -0.0012558500000000 ] - [ -0.0002339200000000, -0.0001869200000000, -0.0011690400000000 ] - [ -0.0001275800000000, 0.0000107600000000, -0.0012441600000000 ] - [ -0.0013552500000000, 0.0004531800000000, 0.0013491800000000 ] - [ -0.0010733200000000, 0.0019686200000000, 0.0003844700000000 ] - [ -0.0012934500000000, 0.0010790100000000, -0.0003266500000000 ] - [ -0.0010802600000000, 0.0019400700000000, 0.0003647900000000 ] - [ -0.0013706200000000, -0.0018653800000000, 0.0000358400000000 ] - [ -0.0011163200000000, -0.0019162100000000, 0.0003519100000000 ] - [ -0.0011845700000000, -0.0020467100000000, 0.0004116500000000 ] - [ -0.0010896500000000, -0.0019868000000000, 0.0003702100000000 ] - [ 0.0004385200000000, -0.0013745100000000, 0.0011611900000000 ] - [ 0.0011712700000000, -0.0026388200000000, 0.0030421700000000 ] - [ 0.0004354900000000, -0.0015050900000000, 0.0011939000000000 ] - [ 0.0002575900000000, -0.0015474200000000, 0.0011945000000000 ] - [ 0.0003840300000000, 0.0014707900000000, 0.0011331300000000 ] - [ 0.0005526100000000, 0.0013554600000000, 0.0008169300000000 ] - [ 0.0004765400000000, 0.0014156100000000, 0.0011589600000000 ] - [ 0.0003154700000000, 0.0014740500000000, 0.0012606600000000 ] - [ 0.0094737800000000, -0.0052272700000000, -0.0045041700000000 ] - [ -0.0006112600000000, 0.0003435600000000, 0.0000965700000000 ] - [ -0.0007107200000000, 0.0023300400000000, 0.0007898400000000 ] - [ -0.0009567000000000, 0.0020776600000000, 0.0006926100000000 ] - [ -0.0008625600000000, -0.0016451500000000, 0.0007183500000000 ] - [ -0.0008540400000000, -0.0017735000000000, 0.0007429000000000 ] - [ -0.0007124900000000, -0.0018843000000000, 0.0007479400000000 ] - [ -0.0010383600000000, -0.0017824800000000, 0.0006857300000000 ]- atom: 33 displacement: [ -0.0004071772244389, 0.0000000000853433, 0.0099917068966167 ] forces: - [ 0.0370696600000000, 0.0024057200000000, 0.0357096700000000 ] - [ -0.0011812500000000, 0.0005894000000000, -0.0005140000000000 ] - [ -0.0001645500000000, 0.0003058300000000, -0.0008761600000000 ] - [ -0.0005092000000000, 0.0002635100000000, -0.0010699400000000 ] - [ 0.0007010100000000, 0.0006780800000000, -0.0002896500000000 ] - [ 0.0003031600000000, -0.0002000200000000, 0.0007700400000000 ] - [ 0.0002310500000000, -0.0006841200000000, 0.0003827500000000 ] - [ 0.0004131100000000, -0.0001409800000000, 0.0007612400000000 ] - [ 0.0007185800000000, -0.0010142600000000, 0.0005656000000000 ] - [ 0.0002379500000000, -0.0001129100000000, 0.0005920600000000 ] - [ 0.0008209800000000, 0.0002484700000000, 0.0010446500000000 ] - [ 0.0002527000000000, 0.0002537900000000, 0.0009772000000000 ] - [ -0.0002630600000000, -0.0003136400000000, -0.0014207700000000 ] - [ -0.0004857100000000, -0.0002062000000000, -0.0013085000000000 ] - [ -0.0002311200000000, -0.0005597200000000, -0.0021206500000000 ] - [ -0.0004631200000000, -0.0002635400000000, -0.0014686100000000 ] - [ -0.0006121000000000, -0.0002942700000000, 0.0006947500000000 ] - [ -0.0002187600000000, -0.0005698600000000, -0.0002434800000000 ] - [ -0.0002971600000000, -0.0006050400000000, -0.0002593100000000 ] - [ -0.0002156900000000, -0.0006219700000000, -0.0003394200000000 ] - [ -0.0002640700000000, 0.0006765800000000, -0.0004695300000000 ] - [ -0.0002100200000000, 0.0006443200000000, -0.0004321800000000 ] - [ 0.0043230800000000, -0.0019622600000000, 0.0054698800000000 ] - [ -0.0001232300000000, 0.0006470100000000, -0.0006464900000000 ] - [ 0.0041647600000000, 0.0003515400000000, -0.0002002200000000 ] - [ 0.0008067900000000, -0.0014560900000000, -0.0003005300000000 ] - [ 0.0005486300000000, -0.0014115900000000, -0.0001095400000000 ] - [ 0.0005973400000000, -0.0013581500000000, -0.0000995500000000 ] - [ 0.0005062300000000, 0.0013847000000000, -0.0000121700000000 ] - [ 0.0006300000000000, 0.0013105900000000, -0.0000172100000000 ] - [ 0.0004844900000000, 0.0014046400000000, 0.0000649100000000 ] - [ 0.0006770300000000, 0.0013535400000000, -0.0000072600000000 ] - [ -0.0312423300000000, -0.0038048900000000, -0.0526892600000000 ] - [ 0.0013646900000000, 0.0055747700000000, -0.0008244200000000 ] - [ 0.0009394900000000, 0.0056669300000000, -0.0009533100000000 ] - [ 0.0011020900000000, 0.0056545500000000, -0.0008422900000000 ] - [ 0.0010099500000000, -0.0056762200000000, -0.0007440100000000 ] - [ 0.0011362200000000, -0.0056527400000000, -0.0007763400000000 ] - [ 0.0010036700000000, -0.0057131200000000, -0.0005897700000000 ] - [ 0.0011768700000000, -0.0056447700000000, -0.0007434200000000 ] - [ -0.0001540500000000, 0.0011832000000000, -0.0000135700000000 ] - [ 0.0003641700000000, 0.0002715400000000, -0.0000796600000000 ] - [ 0.0000681400000000, 0.0000041200000000, -0.0002644400000000 ] - [ 0.0001697100000000, 0.0001305100000000, -0.0001905500000000 ] - [ 0.0001527500000000, -0.0002190400000000, 0.0002663800000000 ] - [ 0.0001736500000000, -0.0001473700000000, -0.0000950000000000 ] - [ 0.0001339900000000, -0.0000425700000000, 0.0000594200000000 ] - [ 0.0001649100000000, -0.0001582400000000, -0.0000663600000000 ] - [ 0.0000887300000000, -0.0057267800000000, 0.0007230400000000 ] - [ 0.0001333100000000, -0.0057185300000000, 0.0007174700000000 ] - [ -0.0008251100000000, -0.0057172800000000, -0.0005342300000000 ] - [ 0.0008855900000000, -0.0058385900000000, 0.0000190600000000 ] - [ -0.0000717000000000, 0.0056307200000000, 0.0011026800000000 ] - [ 0.0000779000000000, 0.0056484200000000, 0.0008727600000000 ] - [ 0.0000299700000000, 0.0057020400000000, 0.0008321800000000 ] - [ 0.0000897700000000, 0.0057025900000000, 0.0008237100000000 ] - [ -0.0000828400000000, -0.0003617500000000, -0.0009723500000000 ] - [ -0.0001133500000000, -0.0000956600000000, -0.0012333500000000 ] - [ 0.0000916800000000, 0.0002397700000000, -0.0004189500000000 ] - [ -0.0001090400000000, -0.0001110400000000, -0.0012088900000000 ] - [ -0.0011647400000000, 0.0007716900000000, 0.0009194600000000 ] - [ 0.0000128900000000, 0.0002203700000000, -0.0011811900000000 ] - [ -0.0001703100000000, 0.0000900400000000, -0.0012977800000000 ] - [ -0.0001113200000000, 0.0000811300000000, -0.0012826700000000 ] - [ -0.0013361800000000, 0.0007066800000000, 0.0008641400000000 ] - [ -0.0010359000000000, 0.0019620600000000, 0.0003915100000000 ] - [ -0.0011747000000000, 0.0025621200000000, 0.0006736200000000 ] - [ -0.0010762000000000, 0.0019637900000000, 0.0003805200000000 ] - [ -0.0012037700000000, -0.0017688200000000, 0.0004986500000000 ] - [ -0.0010150900000000, -0.0019302600000000, 0.0004243000000000 ] - [ -0.0013002600000000, -0.0020529900000000, 0.0003279800000000 ] - [ -0.0010390200000000, -0.0019748500000000, 0.0003652600000000 ] - [ 0.0005367900000000, -0.0013695600000000, 0.0010061300000000 ] - [ 0.0009618200000000, -0.0027602400000000, 0.0023571400000000 ] - [ 0.0004220200000000, -0.0014427100000000, 0.0011467000000000 ] - [ 0.0004874700000000, -0.0013045800000000, 0.0010720100000000 ] - [ 0.0004038500000000, 0.0015511100000000, 0.0013341600000000 ] - [ 0.0002417300000000, 0.0017185000000000, 0.0014460300000000 ] - [ 0.0005217900000000, 0.0014232300000000, 0.0011931900000000 ] - [ 0.0003313700000000, 0.0014562600000000, 0.0012216300000000 ] - [ -0.0121352800000000, 0.0098292800000000, 0.0067882900000000 ] - [ -0.0018398600000000, 0.0023053800000000, 0.0013445900000000 ] - [ -0.0008220500000000, 0.0017916400000000, 0.0009829500000000 ] - [ -0.0009559400000000, 0.0018352200000000, 0.0008169800000000 ] - [ -0.0009226600000000, -0.0017658600000000, 0.0001975000000000 ] - [ -0.0008758100000000, -0.0018768700000000, 0.0004950300000000 ] - [ -0.0007812100000000, -0.0017728000000000, 0.0000996300000000 ] - [ -0.0009658000000000, -0.0017725800000000, 0.0004101600000000 ]- atom: 33 displacement: [ 0.0004071772244389, -0.0000000000853433, -0.0099917068966167 ] forces: - [ -0.0366452100000000, -0.0017916600000000, -0.0377042200000000 ] - [ 0.0004422700000000, -0.0000080600000000, -0.0018214800000000 ] - [ -0.0005668400000000, 0.0002757800000000, -0.0014660300000000 ] - [ -0.0002228000000000, 0.0003167200000000, -0.0012709400000000 ] - [ 0.0003340400000000, -0.0009520100000000, 0.0019885200000000 ] - [ 0.0007244100000000, -0.0000667300000000, 0.0009223000000000 ] - [ 0.0008022900000000, 0.0004266800000000, 0.0013137700000000 ] - [ 0.0006132400000000, -0.0001261500000000, 0.0009305200000000 ] - [ 0.0003107200000000, 0.0012846700000000, 0.0011386800000000 ] - [ 0.0007908800000000, 0.0003806700000000, 0.0011014100000000 ] - [ 0.0002086100000000, 0.0000187700000000, 0.0006523600000000 ] - [ 0.0007748200000000, 0.0000143500000000, 0.0007163000000000 ] - [ -0.0004690200000000, -0.0002657600000000, -0.0009159400000000 ] - [ -0.0002461900000000, -0.0003735500000000, -0.0010298200000000 ] - [ -0.0005005700000000, -0.0000159700000000, -0.0002121600000000 ] - [ -0.0002674900000000, -0.0003177600000000, -0.0008697500000000 ] - [ 0.0001321800000000, -0.0009444000000000, -0.0014873000000000 ] - [ -0.0002747300000000, -0.0006637000000000, -0.0005212400000000 ] - [ -0.0001955200000000, -0.0006292300000000, -0.0005064300000000 ] - [ -0.0002774500000000, -0.0006119200000000, -0.0004253500000000 ] - [ -0.0002293900000000, 0.0005567500000000, -0.0002942400000000 ] - [ -0.0002826300000000, 0.0005898000000000, -0.0003319400000000 ] - [ -0.0047549300000000, 0.0031539500000000, -0.0061596400000000 ] - [ -0.0003686600000000, 0.0005882400000000, -0.0001189700000000 ] - [ -0.0030149500000000, -0.0030956400000000, 0.0000426800000000 ] - [ 0.0003423800000000, -0.0012895900000000, 0.0001556400000000 ] - [ 0.0006002400000000, -0.0013345200000000, -0.0000353200000000 ] - [ 0.0005519300000000, -0.0013878000000000, -0.0000455300000000 ] - [ 0.0006432100000000, 0.0013613100000000, -0.0001338300000000 ] - [ 0.0005190800000000, 0.0014356700000000, -0.0001288500000000 ] - [ 0.0006658100000000, 0.0013403500000000, -0.0002112900000000 ] - [ 0.0004702300000000, 0.0013929500000000, -0.0001390400000000 ] - [ 0.0322622700000000, 0.0150264500000000, 0.0506961200000000 ] - [ 0.0007334900000000, 0.0057426200000000, -0.0008327000000000 ] - [ 0.0011562500000000, 0.0056518900000000, -0.0007027600000000 ] - [ 0.0009948400000000, 0.0056642700000000, -0.0008145700000000 ] - [ 0.0010855900000000, -0.0056424900000000, -0.0009141600000000 ] - [ 0.0009598300000000, -0.0056659600000000, -0.0008812300000000 ] - [ 0.0010914600000000, -0.0056054200000000, -0.0010700000000000 ] - [ 0.0009194000000000, -0.0056734600000000, -0.0009140000000000 ] - [ 0.0004385400000000, -0.0008787600000000, -0.0002586900000000 ] - [ -0.0000795900000000, 0.0000365500000000, -0.0001832400000000 ] - [ 0.0002169000000000, 0.0003041200000000, 0.0000014300000000 ] - [ 0.0001154900000000, 0.0001779300000000, -0.0000724100000000 ] - [ 0.0001311900000000, -0.0000884500000000, -0.0005323600000000 ] - [ 0.0001112800000000, -0.0001610300000000, -0.0001693300000000 ] - [ 0.0001511200000000, -0.0002681200000000, -0.0003250800000000 ] - [ 0.0001204400000000, -0.0001502100000000, -0.0001977200000000 ] - [ 0.0000808600000000, -0.0057008200000000, 0.0008212800000000 ] - [ 0.0000359300000000, -0.0057089200000000, 0.0008269000000000 ] - [ 0.0009785800000000, -0.0057068000000000, 0.0020795700000000 ] - [ -0.0006924700000000, -0.0055771300000000, 0.0015273800000000 ] - [ 0.0002450500000000, 0.0057971900000000, 0.0004376300000000 ] - [ 0.0000915100000000, 0.0057807300000000, 0.0006694500000000 ] - [ 0.0001408100000000, 0.0057258300000000, 0.0007105400000000 ] - [ 0.0000808500000000, 0.0057251200000000, 0.0007190500000000 ] - [ -0.0001835100000000, 0.0001480300000000, -0.0015219500000000 ] - [ -0.0001519700000000, -0.0001191300000000, -0.0012600700000000 ] - [ -0.0003649100000000, -0.0004645900000000, -0.0020944000000000 ] - [ -0.0001561100000000, -0.0001036900000000, -0.0012841300000000 ] - [ 0.0008816600000000, -0.0005544000000000, -0.0033927100000000 ] - [ -0.0002788100000000, -0.0000033400000000, -0.0013128000000000 ] - [ -0.0000949900000000, 0.0001272400000000, -0.0011959700000000 ] - [ -0.0001536100000000, 0.0001351500000000, -0.0012106600000000 ] - [ -0.0009499600000000, 0.0032278600000000, -0.0001650600000000 ] - [ -0.0012515300000000, 0.0019577800000000, 0.0003087000000000 ] - [ -0.0011135000000000, 0.0013493000000000, 0.0000238900000000 ] - [ -0.0012105600000000, 0.0019561600000000, 0.0003197800000000 ] - [ -0.0010873700000000, -0.0021511500000000, 0.0001972000000000 ] - [ -0.0012741300000000, -0.0019891100000000, 0.0002739000000000 ] - [ -0.0009900600000000, -0.0018663300000000, 0.0003694000000000 ] - [ -0.0012497400000000, -0.0019445600000000, 0.0003332000000000 ] - [ 0.0002583700000000, -0.0015478200000000, 0.0013560200000000 ] - [ -0.0001770600000000, -0.0001510700000000, 0.0000125100000000 ] - [ 0.0003739500000000, -0.0014738500000000, 0.0012147500000000 ] - [ 0.0003059600000000, -0.0016141700000000, 0.0012912900000000 ] - [ 0.0003920600000000, 0.0013650600000000, 0.0010249800000000 ] - [ 0.0005553800000000, 0.0011963300000000, 0.0009101600000000 ] - [ 0.0002745500000000, 0.0014931500000000, 0.0011661300000000 ] - [ 0.0004646200000000, 0.0014598600000000, 0.0011367500000000 ] - [ 0.0102659200000000, -0.0061202500000000, -0.0055308800000000 ] - [ 0.0000948900000000, 0.0013284300000000, 0.0000273900000000 ] - [ -0.0009251100000000, 0.0018403100000000, 0.0003867800000000 ] - [ -0.0007919100000000, 0.0017979400000000, 0.0005558000000000 ] - [ -0.0008232000000000, -0.0018681400000000, 0.0011800100000000 ] - [ -0.0008717100000000, -0.0017570600000000, 0.0008799700000000 ] - [ -0.0009637900000000, -0.0018600300000000, 0.0012822300000000 ] - [ -0.0007833600000000, -0.0018612800000000, 0.0009637700000000 ]- atom: 41 displacement: [ 0.0099999999133341, -0.0000000001139357, 0.0000013165557043 ] forces: - [ -0.0004070300000000, 0.0012602500000000, -0.0008085500000000 ] - [ -0.0007404900000000, -0.0016191100000000, -0.0016037300000000 ] - [ -0.0004655600000000, 0.0000800300000000, -0.0007210300000000 ] - [ -0.0002463700000000, 0.0003507400000000, -0.0013965900000000 ] - [ 0.0012932000000000, 0.0002796100000000, 0.0008608900000000 ] - [ 0.0001402000000000, -0.0001592900000000, 0.0007621900000000 ] - [ 0.0006287900000000, -0.0001958900000000, 0.0009092700000000 ] - [ 0.0003870000000000, -0.0001577100000000, 0.0008379200000000 ] - [ 0.0092352700000000, 0.0064221500000000, -0.0081151000000000 ] - [ -0.0000381600000000, 0.0001598600000000, 0.0008672100000000 ] - [ 0.0006372000000000, -0.0001513000000000, 0.0007806800000000 ] - [ 0.0003679700000000, 0.0000747600000000, 0.0008232300000000 ] - [ -0.0002926600000000, -0.0005098600000000, -0.0011879600000000 ] - [ -0.0005955500000000, -0.0000595400000000, -0.0011650700000000 ] - [ -0.0002678900000000, -0.0001347500000000, -0.0012248400000000 ] - [ -0.0004971200000000, -0.0004014800000000, -0.0012016000000000 ] - [ -0.0002713500000000, -0.0006433800000000, -0.0003746600000000 ] - [ -0.0002215400000000, -0.0005816000000000, -0.0003598400000000 ] - [ -0.0002675400000000, -0.0005811200000000, -0.0003611900000000 ] - [ -0.0002105200000000, -0.0006722600000000, -0.0004271500000000 ] - [ 0.0004594100000000, 0.0014729200000000, -0.0003653800000000 ] - [ -0.0002639800000000, 0.0005356100000000, -0.0002957900000000 ] - [ -0.0002976100000000, 0.0004319100000000, -0.0003548600000000 ] - [ -0.0001478000000000, 0.0009332800000000, -0.0005248700000000 ] - [ 0.0024454100000000, -0.0021765800000000, -0.0004933600000000 ] - [ 0.0041813900000000, 0.0006992000000000, -0.0000026300000000 ] - [ 0.0006596700000000, -0.0012616900000000, -0.0001243800000000 ] - [ 0.0005273100000000, -0.0013555000000000, -0.0000501200000000 ] - [ 0.0006424100000000, 0.0015046300000000, -0.0000480200000000 ] - [ 0.0007882300000000, 0.0012229700000000, -0.0002066200000000 ] - [ 0.0005647400000000, 0.0013487800000000, -0.0000628800000000 ] - [ 0.0005759000000000, 0.0014270700000000, -0.0000818700000000 ] - [ 0.0007851900000000, 0.0053460900000000, -0.0011348400000000 ] - [ 0.0015510100000000, 0.0058283300000000, -0.0005858300000000 ] - [ 0.0010215700000000, 0.0057588400000000, -0.0009031800000000 ] - [ 0.0010840100000000, 0.0056477700000000, -0.0007989000000000 ] - [ 0.0008110700000000, -0.0056975200000000, -0.0008275300000000 ] - [ 0.0011919600000000, -0.0056560800000000, -0.0007908800000000 ] - [ 0.0008872800000000, -0.0057154800000000, -0.0008435300000000 ] - [ 0.0011625100000000, -0.0056238800000000, -0.0008010500000000 ] - [ -0.0195365900000000, -0.0186302300000000, 0.0049584600000000 ] - [ 0.0003843300000000, 0.0002264500000000, -0.0000948100000000 ] - [ 0.0001400600000000, 0.0002378600000000, -0.0001319800000000 ] - [ 0.0001732500000000, 0.0001862500000000, -0.0001206400000000 ] - [ -0.0000359400000000, -0.0000792500000000, -0.0001622400000000 ] - [ 0.0002171000000000, -0.0001720900000000, -0.0000928500000000 ] - [ 0.0001194000000000, -0.0001443800000000, -0.0001439700000000 ] - [ 0.0001613800000000, -0.0001524000000000, -0.0001280200000000 ] - [ 0.0001871600000000, -0.0056911100000000, 0.0007044100000000 ] - [ 0.0000466400000000, -0.0058083800000000, 0.0009401900000000 ] - [ 0.0001229500000000, -0.0059639800000000, 0.0006384700000000 ] - [ -0.0002690300000000, -0.0056391500000000, 0.0009161900000000 ] - [ 0.0001235400000000, 0.0056214200000000, 0.0008087200000000 ] - [ 0.0000914800000000, 0.0057994800000000, 0.0007444200000000 ] - [ 0.0001030800000000, 0.0057497900000000, 0.0007705300000000 ] - [ 0.0001822100000000, 0.0055624000000000, 0.0007305300000000 ] - [ -0.0002109500000000, -0.0001797800000000, -0.0012456500000000 ] - [ -0.0000553800000000, -0.0001320600000000, -0.0012094500000000 ] - [ -0.0001663500000000, -0.0000646200000000, -0.0012639900000000 ] - [ -0.0001031500000000, -0.0001103200000000, -0.0012246900000000 ] - [ -0.0018773500000000, 0.0033628200000000, -0.0041765800000000 ] - [ 0.0000449200000000, 0.0001120400000000, -0.0011324200000000 ] - [ -0.0000968100000000, 0.0002379200000000, -0.0012477100000000 ] - [ -0.0000883400000000, 0.0001538300000000, -0.0012302800000000 ] - [ -0.0011997200000000, 0.0019315900000000, -0.0000920500000000 ] - [ -0.0009686000000000, 0.0019587800000000, 0.0004256700000000 ] - [ -0.0012023900000000, 0.0019677200000000, 0.0003111100000000 ] - [ -0.0010971300000000, 0.0019718100000000, 0.0003705500000000 ] - [ -0.0005404400000000, -0.0035180300000000, 0.0051717000000000 ] - [ -0.0009289100000000, -0.0019803100000000, 0.0003745200000000 ] - [ -0.0011993600000000, -0.0019215500000000, 0.0003532300000000 ] - [ -0.0010842500000000, -0.0019439000000000, 0.0003704300000000 ] - [ 0.0005613800000000, -0.0013841400000000, 0.0010641600000000 ] - [ 0.0001953600000000, -0.0018507700000000, 0.0027995000000000 ] - [ 0.0004505900000000, -0.0014317000000000, 0.0011490800000000 ] - [ 0.0003734900000000, -0.0014316200000000, 0.0011558600000000 ] - [ 0.0005538900000000, 0.0014108700000000, 0.0011612900000000 ] - [ 0.0007996700000000, 0.0007203900000000, -0.0035383100000000 ] - [ 0.0004456900000000, 0.0014495700000000, 0.0011720000000000 ] - [ 0.0003209800000000, 0.0015563000000000, 0.0012089200000000 ] - [ 0.0047946400000000, 0.0120470100000000, 0.0056021300000000 ] - [ -0.0018267900000000, 0.0020233600000000, 0.0008865700000000 ] - [ -0.0007151200000000, 0.0015960200000000, 0.0007534000000000 ] - [ -0.0010375300000000, 0.0017596500000000, 0.0006956000000000 ] - [ -0.0002934200000000, -0.0013125700000000, 0.0014002400000000 ] - [ -0.0011320800000000, -0.0018695700000000, 0.0006124800000000 ] - [ -0.0007000300000000, -0.0018926500000000, 0.0007392700000000 ] - [ -0.0010250200000000, -0.0017695400000000, 0.0006484400000000 ]- atom: 41 displacement: [ -0.0099999999133341, 0.0000000001139357, -0.0000013165557043 ] forces: - [ -0.0003187000000000, -0.0006746300000000, -0.0015305400000000 ] - [ 0.0000023700000000, 0.0022079400000000, -0.0007367900000000 ] - [ -0.0002709700000000, 0.0004961700000000, -0.0016174900000000 ] - [ -0.0004860700000000, 0.0002285100000000, -0.0009453600000000 ] - [ -0.0002583600000000, -0.0005444800000000, 0.0008433900000000 ] - [ 0.0008875600000000, -0.0001084700000000, 0.0009319800000000 ] - [ 0.0004014800000000, -0.0000722100000000, 0.0007846500000000 ] - [ 0.0006412200000000, -0.0001095800000000, 0.0008552200000000 ] - [ -0.0080727200000000, -0.0060042900000000, 0.0095193600000000 ] - [ 0.0010672000000000, 0.0001060500000000, 0.0008200200000000 ] - [ 0.0003948500000000, 0.0004157400000000, 0.0009097200000000 ] - [ 0.0006615900000000, 0.0001914900000000, 0.0008670300000000 ] - [ -0.0004380200000000, -0.0000678500000000, -0.0011487500000000 ] - [ -0.0001381800000000, -0.0005181600000000, -0.0011728500000000 ] - [ -0.0004618900000000, -0.0004442500000000, -0.0011118000000000 ] - [ -0.0002376400000000, -0.0001776000000000, -0.0011353700000000 ] - [ -0.0002235500000000, -0.0005929400000000, -0.0003986400000000 ] - [ -0.0002723900000000, -0.0006547400000000, -0.0004132600000000 ] - [ -0.0002270800000000, -0.0006551600000000, -0.0004117700000000 ] - [ -0.0002835600000000, -0.0005639800000000, -0.0003454900000000 ] - [ -0.0009380300000000, -0.0002181600000000, -0.0003993800000000 ] - [ -0.0002295000000000, 0.0006997800000000, -0.0004751900000000 ] - [ -0.0001985000000000, 0.0008034600000000, -0.0004153400000000 ] - [ -0.0003450000000000, 0.0003012700000000, -0.0002451600000000 ] - [ -0.0012494600000000, -0.0005950700000000, 0.0003371600000000 ] - [ -0.0030918700000000, -0.0034794800000000, -0.0001473200000000 ] - [ 0.0004903300000000, -0.0014888700000000, -0.0000240700000000 ] - [ 0.0006215400000000, -0.0013972600000000, -0.0000982400000000 ] - [ 0.0005060700000000, 0.0012472400000000, -0.0001010400000000 ] - [ 0.0003611700000000, 0.0015287100000000, 0.0000570600000000 ] - [ 0.0005834100000000, 0.0014042800000000, -0.0000860000000000 ] - [ 0.0005735600000000, 0.0013258200000000, -0.0000672400000000 ] - [ 0.0013044700000000, 0.0059705100000000, -0.0005200000000000 ] - [ 0.0005479400000000, 0.0054852700000000, -0.0010703900000000 ] - [ 0.0010781200000000, 0.0055598700000000, -0.0007513300000000 ] - [ 0.0010168900000000, 0.0056675300000000, -0.0008556600000000 ] - [ 0.0012869400000000, -0.0056185000000000, -0.0008289900000000 ] - [ 0.0009085900000000, -0.0056593300000000, -0.0008643600000000 ] - [ 0.0012114700000000, -0.0055996100000000, -0.0008125800000000 ] - [ 0.0009381900000000, -0.0056912700000000, -0.0008541400000000 ] - [ 0.0195742600000000, 0.0189372100000000, -0.0048454100000000 ] - [ -0.0000997200000000, 0.0000846400000000, -0.0001642000000000 ] - [ 0.0001432800000000, 0.0000731800000000, -0.0001284700000000 ] - [ 0.0001106000000000, 0.0001238800000000, -0.0001403400000000 ] - [ 0.0003190500000000, -0.0002321000000000, -0.0001040400000000 ] - [ 0.0000666700000000, -0.0001387200000000, -0.0001711800000000 ] - [ 0.0001639600000000, -0.0001652800000000, -0.0001197500000000 ] - [ 0.0001224400000000, -0.0001582600000000, -0.0001355500000000 ] - [ -0.0000157000000000, -0.0057382300000000, 0.0008422400000000 ] - [ 0.0001206300000000, -0.0056190800000000, 0.0006054600000000 ] - [ 0.0000445600000000, -0.0054688900000000, 0.0009076800000000 ] - [ 0.0004434100000000, -0.0057901200000000, 0.0006315700000000 ] - [ 0.0000465700000000, 0.0058088700000000, 0.0007375000000000 ] - [ 0.0000807800000000, 0.0056315400000000, 0.0008008200000000 ] - [ 0.0000676500000000, 0.0056798000000000, 0.0007755500000000 ] - [ -0.0000101400000000, 0.0058670300000000, 0.0008150000000000 ] - [ -0.0000524000000000, -0.0000364900000000, -0.0012498000000000 ] - [ -0.0002070300000000, -0.0000844700000000, -0.0012843900000000 ] - [ -0.0000961400000000, -0.0001518400000000, -0.0012299600000000 ] - [ -0.0001593400000000, -0.0001062800000000, -0.0012692000000000 ] - [ 0.0016418200000000, -0.0031207600000000, 0.0016746100000000 ] - [ -0.0003057100000000, 0.0001064400000000, -0.0013571300000000 ] - [ -0.0001652400000000, -0.0000183300000000, -0.0012440000000000 ] - [ -0.0001732200000000, 0.0000651400000000, -0.0012618300000000 ] - [ -0.0010922600000000, 0.0019866700000000, 0.0007813200000000 ] - [ -0.0013254400000000, 0.0019606200000000, 0.0002739100000000 ] - [ -0.0010927400000000, 0.0019519800000000, 0.0003881000000000 ] - [ -0.0011966300000000, 0.0019472600000000, 0.0003293600000000 ] - [ -0.0017606200000000, -0.0004076700000000, -0.0044512400000000 ] - [ -0.0013657900000000, -0.0019384500000000, 0.0003255600000000 ] - [ -0.0010974500000000, -0.0019970200000000, 0.0003456200000000 ] - [ -0.0012109700000000, -0.0019751000000000, 0.0003287000000000 ] - [ 0.0002406500000000, -0.0015294000000000, 0.0012915900000000 ] - [ 0.0006034800000000, -0.0010649600000000, -0.0004472400000000 ] - [ 0.0003506800000000, -0.0014827000000000, 0.0012083200000000 ] - [ 0.0004272600000000, -0.0014823000000000, 0.0012014000000000 ] - [ 0.0002470600000000, 0.0015039200000000, 0.0011965600000000 ] - [ 0.0000089600000000, 0.0021964100000000, 0.0059107900000000 ] - [ 0.0003551400000000, 0.0014652600000000, 0.0011857000000000 ] - [ 0.0004793100000000, 0.0013592800000000, 0.0011484800000000 ] - [ -0.0064906700000000, -0.0085705500000000, -0.0043354800000000 ] - [ 0.0000762000000000, 0.0016116500000000, 0.0004885900000000 ] - [ -0.0010245900000000, 0.0020339400000000, 0.0006190100000000 ] - [ -0.0007094100000000, 0.0018730000000000, 0.0006780300000000 ] - [ -0.0014496800000000, -0.0023190700000000, -0.0000178600000000 ] - [ -0.0006130700000000, -0.0017652800000000, 0.0007620200000000 ] - [ -0.0010443700000000, -0.0017439600000000, 0.0006364800000000 ] - [ -0.0007195800000000, -0.0018661300000000, 0.0007260200000000 ]- atom: 41 displacement: [ -0.0000000001462832, 0.0100000000000000, 0.0000000001023983 ] forces: - [ 0.0014047500000000, 0.0010836600000000, -0.0006927900000000 ] - [ -0.0009811700000000, -0.0002965800000000, -0.0016739600000000 ] - [ -0.0009051900000000, -0.0005926000000000, -0.0003554100000000 ] - [ 0.0001931700000000, -0.0001169600000000, -0.0013616200000000 ] - [ 0.0016413600000000, 0.0004602500000000, 0.0013666900000000 ] - [ 0.0004514800000000, -0.0000052000000000, 0.0007879000000000 ] - [ 0.0003759400000000, -0.0005012100000000, 0.0009371600000000 ] - [ 0.0004405900000000, -0.0003059200000000, 0.0009178200000000 ] - [ 0.0054586800000000, 0.0291426400000000, -0.0344140800000000 ] - [ 0.0003721600000000, 0.0003593600000000, 0.0009810300000000 ] - [ 0.0005436600000000, -0.0010548900000000, 0.0005994900000000 ] - [ 0.0004805300000000, -0.0001613300000000, 0.0007337100000000 ] - [ -0.0005957300000000, -0.0001861000000000, -0.0012657800000000 ] - [ -0.0002509900000000, -0.0002740600000000, -0.0012029000000000 ] - [ 0.0000102000000000, -0.0003695800000000, -0.0009982900000000 ] - [ -0.0006794800000000, -0.0004928900000000, -0.0010297900000000 ] - [ -0.0002899400000000, -0.0006219800000000, -0.0004176100000000 ] - [ -0.0001806800000000, -0.0006158600000000, -0.0004399300000000 ] - [ -0.0002147800000000, -0.0005960200000000, -0.0003640100000000 ] - [ -0.0002703900000000, -0.0006040500000000, -0.0003714300000000 ] - [ 0.0008180200000000, 0.0018394300000000, -0.0004831900000000 ] - [ -0.0003863800000000, 0.0006661700000000, -0.0003471900000000 ] - [ -0.0005786700000000, 0.0006144200000000, -0.0003915400000000 ] - [ -0.0000120800000000, 0.0007215500000000, -0.0003250000000000 ] - [ -0.0001320400000000, -0.0017867700000000, -0.0000878600000000 ] - [ 0.0031208500000000, -0.0010642300000000, -0.0000474600000000 ] - [ 0.0007636000000000, -0.0010359300000000, -0.0001494400000000 ] - [ 0.0005183900000000, -0.0011213500000000, -0.0000212700000000 ] - [ 0.0006307500000000, 0.0012771200000000, -0.0000927700000000 ] - [ 0.0004556300000000, 0.0013583400000000, 0.0000102200000000 ] - [ 0.0004802200000000, 0.0014687300000000, -0.0000944100000000 ] - [ 0.0006193100000000, 0.0014855500000000, -0.0001096200000000 ] - [ -0.0012568100000000, 0.0076540400000000, 0.0000994700000000 ] - [ 0.0012997100000000, 0.0056681700000000, -0.0007012600000000 ] - [ 0.0010537400000000, 0.0060300300000000, -0.0009802300000000 ] - [ 0.0008836700000000, 0.0057320800000000, -0.0008592900000000 ] - [ 0.0011647800000000, -0.0057030300000000, -0.0007596500000000 ] - [ 0.0010069800000000, -0.0056820400000000, -0.0008375000000000 ] - [ 0.0008700000000000, -0.0056374200000000, -0.0009490400000000 ] - [ 0.0011530500000000, -0.0056125900000000, -0.0008205400000000 ] - [ -0.0183407100000000, -0.0593978600000000, 0.0312133100000000 ] - [ 0.0002126400000000, 0.0000591600000000, -0.0001712000000000 ] - [ 0.0002245500000000, 0.0005621400000000, -0.0001310400000000 ] - [ 0.0001733900000000, 0.0002640100000000, -0.0001025700000000 ] - [ 0.0000647400000000, -0.0003181900000000, -0.0000849200000000 ] - [ 0.0001588200000000, -0.0002061800000000, -0.0001124500000000 ] - [ 0.0001315600000000, -0.0000383100000000, -0.0001890800000000 ] - [ 0.0001393000000000, -0.0000992000000000, -0.0001623300000000 ] - [ 0.0003318800000000, -0.0056088300000000, 0.0006377900000000 ] - [ -0.0003182600000000, -0.0052465600000000, 0.0008328700000000 ] - [ -0.0002598700000000, -0.0058957900000000, 0.0007502000000000 ] - [ -0.0000923400000000, -0.0060139000000000, 0.0009125800000000 ] - [ 0.0000062700000000, 0.0057305200000000, 0.0007744800000000 ] - [ 0.0002626700000000, 0.0058910600000000, 0.0006612300000000 ] - [ 0.0001457900000000, 0.0056799300000000, 0.0007838300000000 ] - [ 0.0000047300000000, 0.0057187700000000, 0.0007913200000000 ] - [ -0.0002268800000000, -0.0002222900000000, -0.0013264100000000 ] - [ -0.0001076600000000, -0.0001828100000000, -0.0012301600000000 ] - [ -0.0001512900000000, 0.0000518600000000, -0.0012764200000000 ] - [ -0.0001428200000000, -0.0000279600000000, -0.0012725300000000 ] - [ 0.0032551700000000, 0.0098062800000000, -0.0099155200000000 ] - [ -0.0001080400000000, -0.0000116200000000, -0.0012784200000000 ] - [ 0.0000432600000000, 0.0007088200000000, -0.0011993900000000 ] - [ -0.0000872400000000, 0.0002677200000000, -0.0011902300000000 ] - [ -0.0013091700000000, 0.0018068200000000, -0.0002722300000000 ] - [ -0.0010955700000000, 0.0019247600000000, 0.0003863300000000 ] - [ -0.0011150800000000, 0.0021082600000000, 0.0003667700000000 ] - [ -0.0011232000000000, 0.0020036700000000, 0.0003430500000000 ] - [ -0.0014495000000000, -0.0038311700000000, -0.0004569100000000 ] - [ -0.0011077100000000, -0.0020182900000000, 0.0003038200000000 ] - [ -0.0011421300000000, -0.0017575200000000, 0.0004073100000000 ] - [ -0.0011118300000000, -0.0018938300000000, 0.0003854300000000 ] - [ 0.0004025700000000, -0.0015262200000000, 0.0012490500000000 ] - [ 0.0002907900000000, -0.0022699800000000, 0.0027460000000000 ] - [ 0.0004555500000000, -0.0013603800000000, 0.0010822500000000 ] - [ 0.0004887300000000, -0.0012714500000000, 0.0010243300000000 ] - [ 0.0004611000000000, 0.0013861300000000, 0.0011157800000000 ] - [ -0.0006898200000000, 0.0000599700000000, 0.0029542500000000 ] - [ 0.0003640300000000, 0.0015401900000000, 0.0012552300000000 ] - [ 0.0002305400000000, 0.0018163300000000, 0.0013349700000000 ] - [ 0.0091671700000000, 0.0238774400000000, 0.0094693000000000 ] - [ -0.0010797700000000, 0.0021130500000000, 0.0007180700000000 ] - [ -0.0008282600000000, 0.0008873600000000, 0.0008331800000000 ] - [ -0.0010168000000000, 0.0015349300000000, 0.0006986800000000 ] - [ -0.0008799400000000, -0.0018910000000000, 0.0003008800000000 ] - [ -0.0009219700000000, -0.0016959800000000, 0.0006657400000000 ] - [ -0.0009131500000000, -0.0021858600000000, 0.0009002100000000 ] - [ -0.0008731100000000, -0.0019509100000000, 0.0006849500000000 ]- atom: 41 displacement: [ 0.0000000001462832, -0.0100000000000000, -0.0000000001023983 ] forces: - [ -0.0021311500000000, -0.0005134100000000, -0.0016505300000000 ] - [ 0.0002404400000000, 0.0008735000000000, -0.0006601600000000 ] - [ 0.0001631400000000, 0.0011620400000000, -0.0019773800000000 ] - [ -0.0009151500000000, 0.0006942500000000, -0.0009849300000000 ] - [ -0.0006024900000000, -0.0007180200000000, 0.0003366600000000 ] - [ 0.0005759600000000, -0.0002607500000000, 0.0009047200000000 ] - [ 0.0006517600000000, 0.0002299000000000, 0.0007577500000000 ] - [ 0.0005855100000000, 0.0000361800000000, 0.0007756400000000 ] - [ -0.0045178900000000, -0.0288430300000000, 0.0367726500000000 ] - [ 0.0006560200000000, -0.0000911900000000, 0.0007094900000000 ] - [ 0.0004822900000000, 0.0013132000000000, 0.0010884700000000 ] - [ 0.0005480000000000, 0.0004258500000000, 0.0009559500000000 ] - [ -0.0001360800000000, -0.0003898500000000, -0.0010719500000000 ] - [ -0.0004830300000000, -0.0003019900000000, -0.0011355700000000 ] - [ -0.0007431100000000, -0.0002140500000000, -0.0013404100000000 ] - [ -0.0000513200000000, -0.0000888200000000, -0.0013107800000000 ] - [ -0.0002042000000000, -0.0006093500000000, -0.0003466200000000 ] - [ -0.0003136200000000, -0.0006155800000000, -0.0003229700000000 ] - [ -0.0002792200000000, -0.0006372000000000, -0.0004007600000000 ] - [ -0.0002233600000000, -0.0006291200000000, -0.0003932900000000 ] - [ -0.0012879600000000, -0.0005865700000000, -0.0002744200000000 ] - [ -0.0001094000000000, 0.0005646800000000, -0.0004136200000000 ] - [ 0.0000837100000000, 0.0006202300000000, -0.0003722100000000 ] - [ -0.0004809900000000, 0.0005120400000000, -0.0004412400000000 ] - [ 0.0012792500000000, -0.0009550200000000, -0.0000579400000000 ] - [ -0.0019791700000000, -0.0016749500000000, -0.0000989100000000 ] - [ 0.0003898500000000, -0.0017059500000000, 0.0000015900000000 ] - [ 0.0006303900000000, -0.0016223500000000, -0.0001247600000000 ] - [ 0.0005192500000000, 0.0014654600000000, -0.0000548400000000 ] - [ 0.0006975700000000, 0.0013842800000000, -0.0001595500000000 ] - [ 0.0006704100000000, 0.0012778300000000, -0.0000529300000000 ] - [ 0.0005307500000000, 0.0012605500000000, -0.0000374400000000 ] - [ 0.0033728800000000, 0.0036380900000000, -0.0017750800000000 ] - [ 0.0007978100000000, 0.0056501000000000, -0.0009561200000000 ] - [ 0.0010429000000000, 0.0052966900000000, -0.0006806400000000 ] - [ 0.0012086100000000, 0.0055867300000000, -0.0007984900000000 ] - [ 0.0009274300000000, -0.0056178300000000, -0.0008997100000000 ] - [ 0.0010879500000000, -0.0056371100000000, -0.0008204300000000 ] - [ 0.0012259400000000, -0.0056797400000000, -0.0007086500000000 ] - [ 0.0009413500000000, -0.0057056200000000, -0.0008372600000000 ] - [ 0.0192387100000000, 0.0605797400000000, -0.0317123900000000 ] - [ 0.0000701300000000, 0.0002478800000000, -0.0000931000000000 ] - [ 0.0000591300000000, -0.0002505900000000, -0.0001340100000000 ] - [ 0.0001103100000000, 0.0000450000000000, -0.0001616500000000 ] - [ 0.0002168600000000, 0.0000075200000000, -0.0001858800000000 ] - [ 0.0001245500000000, -0.0001033400000000, -0.0001543700000000 ] - [ 0.0001517100000000, -0.0002693300000000, -0.0000777200000000 ] - [ 0.0001442900000000, -0.0002094500000000, -0.0001045200000000 ] - [ -0.0001558300000000, -0.0058189100000000, 0.0009039000000000 ] - [ 0.0004820300000000, -0.0061746200000000, 0.0007113900000000 ] - [ 0.0004322900000000, -0.0055304400000000, 0.0007942400000000 ] - [ 0.0002789700000000, -0.0054021200000000, 0.0006312100000000 ] - [ 0.0001663900000000, 0.0056993500000000, 0.0007678600000000 ] - [ -0.0000903100000000, 0.0055374400000000, 0.0008817800000000 ] - [ 0.0000272600000000, 0.0057467500000000, 0.0007591700000000 ] - [ 0.0001696600000000, 0.0057066800000000, 0.0007505600000000 ] - [ -0.0000394600000000, 0.0000063400000000, -0.0011709500000000 ] - [ -0.0001576200000000, -0.0000321500000000, -0.0012651400000000 ] - [ -0.0001142300000000, -0.0002642200000000, -0.0012189400000000 ] - [ -0.0001226900000000, -0.0001849000000000, -0.0012230400000000 ] - [ -0.0035845900000000, -0.0097587600000000, 0.0075807300000000 ] - [ -0.0001573200000000, 0.0002271600000000, -0.0012161500000000 ] - [ -0.0003062300000000, -0.0004859300000000, -0.0012931900000000 ] - [ -0.0001771500000000, -0.0000510600000000, -0.0013030700000000 ] - [ -0.0009806300000000, 0.0021079000000000, 0.0009683900000000 ] - [ -0.0011914600000000, 0.0019942600000000, 0.0003148700000000 ] - [ -0.0011727700000000, 0.0018119200000000, 0.0003334900000000 ] - [ -0.0011634200000000, 0.0019158100000000, 0.0003583200000000 ] - [ -0.0008519600000000, -0.0000713700000000, 0.0011195000000000 ] - [ -0.0011806600000000, -0.0019013600000000, 0.0003965000000000 ] - [ -0.0011454900000000, -0.0021606000000000, 0.0002944000000000 ] - [ -0.0011765800000000, -0.0020252100000000, 0.0003152800000000 ] - [ 0.0003935000000000, -0.0013916000000000, 0.0011128200000000 ] - [ 0.0004997400000000, -0.0006540700000000, -0.0003813400000000 ] - [ 0.0003418900000000, -0.0015554400000000, 0.0012774100000000 ] - [ 0.0003083200000000, -0.0016432400000000, 0.0013341800000000 ] - [ 0.0003356700000000, 0.0015298700000000, 0.0012440600000000 ] - [ 0.0015045900000000, 0.0028435000000000, -0.0006420900000000 ] - [ 0.0004319400000000, 0.0013774000000000, 0.0011063300000000 ] - [ 0.0005648200000000, 0.0011025800000000, 0.0010286100000000 ] - [ -0.0114259000000000, -0.0209840900000000, -0.0086140100000000 ] - [ -0.0006654000000000, 0.0015192900000000, 0.0006535500000000 ] - [ -0.0009154400000000, 0.0027338100000000, 0.0005428200000000 ] - [ -0.0007331400000000, 0.0020951500000000, 0.0006746000000000 ] - [ -0.0008637400000000, -0.0017336400000000, 0.0010853600000000 ] - [ -0.0008245400000000, -0.0019364400000000, 0.0007084700000000 ] - [ -0.0008340100000000, -0.0014509000000000, 0.0004704300000000 ] - [ -0.0008732300000000, -0.0016857200000000, 0.0006880000000000 ]- atom: 41 displacement: [ -0.0004071772244389, 0.0000000000853433, 0.0099917068966167 ] forces: - [ 0.0013156700000000, 0.0000258900000000, 0.0008672800000000 ] - [ -0.0007593400000000, -0.0011645600000000, -0.0008686300000000 ] - [ 0.0000111600000000, 0.0003699700000000, -0.0004909900000000 ] - [ -0.0009366500000000, 0.0004438400000000, -0.0005527900000000 ] - [ 0.0021384100000000, 0.0011647500000000, -0.0022462100000000 ] - [ 0.0003585000000000, 0.0000274000000000, 0.0002624300000000 ] - [ 0.0004688700000000, -0.0002861500000000, 0.0004368800000000 ] - [ 0.0004885400000000, -0.0001526800000000, 0.0006508800000000 ] - [ -0.0041804200000000, -0.0286390100000000, 0.0684278600000000 ] - [ 0.0004529400000000, 0.0003721800000000, 0.0016380200000000 ] - [ 0.0004548200000000, 0.0002019600000000, 0.0011758100000000 ] - [ 0.0004929200000000, 0.0001108200000000, 0.0010400500000000 ] - [ -0.0008129400000000, -0.0006525400000000, -0.0019087400000000 ] - [ 0.0001239100000000, -0.0005582300000000, -0.0016116000000000 ] - [ -0.0005485500000000, -0.0001264800000000, -0.0018272000000000 ] - [ -0.0000678900000000, -0.0002845400000000, -0.0016391200000000 ] - [ -0.0002469400000000, -0.0005519000000000, -0.0000582400000000 ] - [ -0.0002861800000000, -0.0005194400000000, -0.0001328600000000 ] - [ -0.0002486600000000, -0.0004923200000000, -0.0000656000000000 ] - [ -0.0003164400000000, -0.0005005900000000, -0.0001393600000000 ] - [ 0.0000653500000000, 0.0010188800000000, -0.0007911800000000 ] - [ -0.0001530600000000, 0.0006849700000000, -0.0006837600000000 ] - [ -0.0002403800000000, 0.0007736000000000, -0.0011068800000000 ] - [ -0.0002592700000000, 0.0009101300000000, -0.0007485200000000 ] - [ -0.0000025700000000, -0.0013600700000000, -0.0002208500000000 ] - [ 0.0029119600000000, -0.0002612000000000, -0.0006746200000000 ] - [ 0.0005461100000000, -0.0013567200000000, -0.0001568800000000 ] - [ 0.0006341000000000, -0.0014997600000000, -0.0001941500000000 ] - [ 0.0007553800000000, 0.0015510000000000, 0.0000630400000000 ] - [ 0.0000738400000000, 0.0015422300000000, 0.0004004400000000 ] - [ 0.0005988900000000, 0.0013058300000000, 0.0000085000000000 ] - [ 0.0005342300000000, 0.0013397300000000, 0.0000111300000000 ] - [ -0.0016305400000000, 0.0081052200000000, -0.0007993300000000 ] - [ 0.0012948500000000, 0.0057584000000000, -0.0007722900000000 ] - [ 0.0008579000000000, 0.0054137900000000, -0.0009631200000000 ] - [ 0.0011793600000000, 0.0056197200000000, -0.0008804600000000 ] - [ 0.0014901100000000, -0.0054699100000000, -0.0004083000000000 ] - [ 0.0009406800000000, -0.0056564600000000, -0.0007941900000000 ] - [ 0.0010372600000000, -0.0057600200000000, -0.0006338600000000 ] - [ 0.0010531000000000, -0.0056635900000000, -0.0007608600000000 ] - [ 0.0060551300000000, 0.0333620500000000, -0.0907297600000000 ] - [ 0.0001662800000000, 0.0001146700000000, -0.0004279700000000 ] - [ 0.0001398200000000, 0.0001547100000000, -0.0003430400000000 ] - [ 0.0001502300000000, 0.0001850000000000, -0.0002179700000000 ] - [ 0.0001201600000000, -0.0002104200000000, 0.0014563400000000 ] - [ 0.0001776000000000, -0.0001771000000000, 0.0001117200000000 ] - [ 0.0001301800000000, -0.0001013200000000, 0.0000938600000000 ] - [ 0.0001445100000000, -0.0001279300000000, -0.0000513500000000 ] - [ 0.0000497000000000, -0.0057648900000000, 0.0006851100000000 ] - [ 0.0004113600000000, -0.0061271900000000, 0.0005167800000000 ] - [ -0.0002981200000000, -0.0056756400000000, 0.0006879600000000 ] - [ -0.0001537700000000, -0.0058806100000000, 0.0004546500000000 ] - [ 0.0001676400000000, 0.0055427000000000, 0.0009011100000000 ] - [ -0.0000446300000000, 0.0055944200000000, 0.0009436200000000 ] - [ 0.0002208500000000, 0.0057913700000000, 0.0008052700000000 ] - [ -0.0003140800000000, 0.0060167900000000, 0.0010571600000000 ] - [ -0.0000966400000000, -0.0005441100000000, -0.0004611200000000 ] - [ -0.0000441300000000, -0.0001950900000000, -0.0010308400000000 ] - [ -0.0001269300000000, -0.0000524900000000, -0.0009869200000000 ] - [ -0.0001035100000000, -0.0001066800000000, -0.0011224700000000 ] - [ -0.0024568300000000, -0.0065477900000000, -0.0032186600000000 ] - [ -0.0002131200000000, 0.0000255200000000, -0.0015578900000000 ] - [ -0.0001561700000000, 0.0001298400000000, -0.0014531200000000 ] - [ -0.0001370200000000, 0.0001224800000000, -0.0013406400000000 ] - [ -0.0017084900000000, 0.0017387500000000, 0.0017899000000000 ] - [ -0.0009726400000000, 0.0019284500000000, 0.0005549200000000 ] - [ -0.0010924500000000, 0.0020501400000000, 0.0005092000000000 ] - [ -0.0011068000000000, 0.0019728100000000, 0.0004118300000000 ] - [ 0.0022046900000000, -0.0046081200000000, 0.0069021700000000 ] - [ -0.0012610100000000, -0.0020026300000000, 0.0001001900000000 ] - [ -0.0011648800000000, -0.0019600600000000, 0.0002705300000000 ] - [ -0.0011735900000000, -0.0019484600000000, 0.0002929000000000 ] - [ 0.0003718400000000, -0.0015541700000000, 0.0013446600000000 ] - [ 0.0006190600000000, -0.0024946400000000, 0.0065768000000000 ] - [ 0.0003901900000000, -0.0014765500000000, 0.0012334900000000 ] - [ 0.0003796200000000, -0.0015000200000000, 0.0012732500000000 ] - [ 0.0005180400000000, 0.0013499900000000, 0.0010295000000000 ] - [ -0.0041819300000000, 0.0026310500000000, 0.0103976300000000 ] - [ 0.0004319800000000, 0.0014205900000000, 0.0011077200000000 ] - [ 0.0004354100000000, 0.0013517800000000, 0.0011268200000000 ] - [ 0.0004619000000000, 0.0039345200000000, 0.0060385500000000 ] - [ -0.0006962100000000, 0.0019236100000000, 0.0008053300000000 ] - [ -0.0008135200000000, 0.0022630800000000, 0.0010238000000000 ] - [ -0.0008783000000000, 0.0018671200000000, 0.0007836300000000 ] - [ -0.0012788800000000, -0.0030651500000000, -0.0024887500000000 ] - [ -0.0010941100000000, -0.0018342400000000, 0.0004629100000000 ] - [ -0.0007618200000000, -0.0016260100000000, 0.0002565700000000 ] - [ -0.0010056200000000, -0.0016742900000000, 0.0005729000000000 ]- atom: 41 displacement: [ 0.0004071772244389, -0.0000000000853433, -0.0099917068966167 ] forces: - [ -0.0020442100000000, 0.0005507700000000, -0.0032116400000000 ] - [ 0.0000231600000000, 0.0017319400000000, -0.0014755100000000 ] - [ -0.0007434100000000, 0.0002104700000000, -0.0018531400000000 ] - [ 0.0002065900000000, 0.0001358200000000, -0.0017910500000000 ] - [ -0.0011137300000000, -0.0014363300000000, 0.0039456200000000 ] - [ 0.0006698200000000, -0.0002940900000000, 0.0014292600000000 ] - [ 0.0005591900000000, 0.0000180700000000, 0.0012555500000000 ] - [ 0.0005387100000000, -0.0001154500000000, 0.0010413900000000 ] - [ 0.0049071800000000, 0.0271734800000000, -0.0636138200000000 ] - [ 0.0005751100000000, -0.0001034200000000, 0.0000569600000000 ] - [ 0.0005759700000000, 0.0000648100000000, 0.0005164800000000 ] - [ 0.0005358200000000, 0.0001560000000000, 0.0006520900000000 ] - [ 0.0000787400000000, 0.0000709800000000, -0.0004306500000000 ] - [ -0.0008524200000000, -0.0000253500000000, -0.0007279400000000 ] - [ -0.0001815200000000, -0.0004520500000000, -0.0005105500000000 ] - [ -0.0006653800000000, -0.0002955900000000, -0.0006983000000000 ] - [ -0.0002469000000000, -0.0006816600000000, -0.0007073300000000 ] - [ -0.0002070600000000, -0.0007140200000000, -0.0006329400000000 ] - [ -0.0002446600000000, -0.0007399300000000, -0.0006989700000000 ] - [ -0.0001777200000000, -0.0007313600000000, -0.0006247900000000 ] - [ -0.0005580900000000, 0.0002139700000000, 0.0000248300000000 ] - [ -0.0003401300000000, 0.0005472400000000, -0.0000801600000000 ] - [ -0.0002546300000000, 0.0004599700000000, 0.0003431700000000 ] - [ -0.0002326800000000, 0.0003248400000000, -0.0000164600000000 ] - [ 0.0011457000000000, -0.0013845700000000, 0.0000770800000000 ] - [ -0.0017434100000000, -0.0024725200000000, 0.0005331600000000 ] - [ 0.0006033900000000, -0.0013891300000000, 0.0000112500000000 ] - [ 0.0005153400000000, -0.0012457300000000, 0.0000488000000000 ] - [ 0.0003951600000000, 0.0011958600000000, -0.0002096400000000 ] - [ 0.0010719100000000, 0.0012062000000000, -0.0005449100000000 ] - [ 0.0005500700000000, 0.0014407500000000, -0.0001549900000000 ] - [ 0.0006156600000000, 0.0014070100000000, -0.0001579500000000 ] - [ 0.0037361000000000, 0.0032041300000000, -0.0008549900000000 ] - [ 0.0008049200000000, 0.0055614200000000, -0.0008827300000000 ] - [ 0.0012391600000000, 0.0059080900000000, -0.0006927000000000 ] - [ 0.0009164400000000, 0.0056991200000000, -0.0007759600000000 ] - [ 0.0006079600000000, -0.0058480100000000, -0.0012485600000000 ] - [ 0.0011541000000000, -0.0056622200000000, -0.0008633500000000 ] - [ 0.0010571100000000, -0.0055587800000000, -0.0010241800000000 ] - [ 0.0010433300000000, -0.0056550100000000, -0.0008964400000000 ] - [ -0.0053620100000000, -0.0310875600000000, 0.0873084200000000 ] - [ 0.0001187000000000, 0.0001924000000000, 0.0001638600000000 ] - [ 0.0001448500000000, 0.0001536200000000, 0.0000805300000000 ] - [ 0.0001346300000000, 0.0001230400000000, -0.0000451100000000 ] - [ 0.0001656800000000, -0.0000985700000000, -0.0017229900000000 ] - [ 0.0001070900000000, -0.0001313800000000, -0.0003761400000000 ] - [ 0.0001542900000000, -0.0002057800000000, -0.0003590100000000 ] - [ 0.0001402800000000, -0.0001798800000000, -0.0002135700000000 ] - [ 0.0001209100000000, -0.0056624500000000, 0.0008596400000000 ] - [ -0.0002432300000000, -0.0052983800000000, 0.0010299700000000 ] - [ 0.0004688400000000, -0.0057507200000000, 0.0008571100000000 ] - [ 0.0003260900000000, -0.0055429200000000, 0.0010931300000000 ] - [ 0.0000035800000000, 0.0058844400000000, 0.0006424100000000 ] - [ 0.0002171400000000, 0.0058338300000000, 0.0005990600000000 ] - [ -0.0000488000000000, 0.0056367500000000, 0.0007376800000000 ] - [ 0.0004834600000000, 0.0054132400000000, 0.0004863200000000 ] - [ -0.0001686900000000, 0.0003315200000000, -0.0020342400000000 ] - [ -0.0002207000000000, -0.0000200500000000, -0.0014624500000000 ] - [ -0.0001379700000000, -0.0001619900000000, -0.0015070100000000 ] - [ -0.0001614600000000, -0.0001078400000000, -0.0013712500000000 ] - [ 0.0021923700000000, 0.0067633900000000, 0.0006687000000000 ] - [ -0.0000516700000000, 0.0001904800000000, -0.0009364200000000 ] - [ -0.0001091800000000, 0.0000869800000000, -0.0010393400000000 ] - [ -0.0001274800000000, 0.0000940300000000, -0.0011526200000000 ] - [ -0.0005635500000000, 0.0021807100000000, -0.0011195000000000 ] - [ -0.0013149500000000, 0.0019906500000000, 0.0001463200000000 ] - [ -0.0011955900000000, 0.0018695900000000, 0.0001914300000000 ] - [ -0.0011805100000000, 0.0019466600000000, 0.0002892100000000 ] - [ -0.0044488400000000, 0.0006509500000000, -0.0061349800000000 ] - [ -0.0010285400000000, -0.0019169400000000, 0.0005978800000000 ] - [ -0.0011255100000000, -0.0019588600000000, 0.0004283200000000 ] - [ -0.0011155300000000, -0.0019705000000000, 0.0004064000000000 ] - [ 0.0004243100000000, -0.0013630200000000, 0.0010174200000000 ] - [ 0.0001605400000000, -0.0004226100000000, -0.0042659300000000 ] - [ 0.0004067800000000, -0.0014396100000000, 0.0011273200000000 ] - [ 0.0004172100000000, -0.0014158400000000, 0.0010875300000000 ] - [ 0.0002795200000000, 0.0015652300000000, 0.0013291300000000 ] - [ 0.0049057000000000, 0.0002877900000000, -0.0079280700000000 ] - [ 0.0003648400000000, 0.0014956900000000, 0.0012520900000000 ] - [ 0.0003611400000000, 0.0015647100000000, 0.0012323100000000 ] - [ -0.0023119600000000, -0.0004921200000000, -0.0047079800000000 ] - [ -0.0010504200000000, 0.0017091600000000, 0.0005662000000000 ] - [ -0.0009331200000000, 0.0013671800000000, 0.0003461400000000 ] - [ -0.0008688800000000, 0.0017648000000000, 0.0005888300000000 ] - [ -0.0004711100000000, -0.0005762700000000, 0.0038563900000000 ] - [ -0.0006533600000000, -0.0018000500000000, 0.0009111600000000 ] - [ -0.0009843600000000, -0.0020094400000000, 0.0011194300000000 ] - [ -0.0007412500000000, -0.0019597700000000, 0.0008003000000000 ]- atom: 49 displacement: [ 0.0099999999133341, -0.0000000001139357, 0.0000013165557043 ] forces: - [ -0.0000245600000000, 0.0002353000000000, -0.0013578800000000 ] - [ -0.0007788800000000, 0.0002189700000000, -0.0011773000000000 ] - [ 0.0457671800000000, -0.0184473000000000, -0.0298463200000000 ] - [ -0.0038778100000000, 0.0002020600000000, -0.0030870600000000 ] - [ 0.0001579500000000, -0.0003756300000000, 0.0006150900000000 ] - [ 0.0004027200000000, 0.0004693600000000, 0.0010395900000000 ] - [ 0.0005725100000000, 0.0002971000000000, 0.0003806100000000 ] - [ -0.0010884700000000, -0.0010305600000000, 0.0018155400000000 ] - [ 0.0001656800000000, -0.0001841900000000, 0.0011567300000000 ] - [ 0.0007770800000000, 0.0003197300000000, 0.0002518800000000 ] - [ 0.0002088200000000, 0.0007148900000000, 0.0014158300000000 ] - [ 0.0002504100000000, -0.0017245400000000, 0.0004300200000000 ] - [ 0.0002828500000000, -0.0004606800000000, -0.0009374700000000 ] - [ -0.0009507500000000, -0.0001156500000000, -0.0009888600000000 ] - [ 0.0000371900000000, -0.0004443900000000, -0.0011358500000000 ] - [ -0.0007396800000000, -0.0002697100000000, -0.0011184900000000 ] - [ -0.0003426100000000, -0.0005823900000000, -0.0003537800000000 ] - [ -0.0001518200000000, -0.0006212200000000, -0.0004283000000000 ] - [ -0.0003558700000000, -0.0005709600000000, -0.0002143600000000 ] - [ -0.0001034800000000, -0.0007147800000000, -0.0005325300000000 ] - [ 0.0023021300000000, 0.0003132500000000, -0.0063792400000000 ] - [ 0.0002057100000000, 0.0004977600000000, -0.0000608000000000 ] - [ -0.0003160800000000, 0.0005500600000000, -0.0003454300000000 ] - [ -0.0001595000000000, 0.0006546500000000, -0.0004052000000000 ] - [ 0.0003511500000000, -0.0013036100000000, 0.0000024500000000 ] - [ 0.0008043700000000, -0.0013235600000000, -0.0000949700000000 ] - [ -0.0033711800000000, -0.0060727100000000, -0.0015215200000000 ] - [ 0.0014319900000000, -0.0010147100000000, 0.0000488300000000 ] - [ 0.0002930700000000, 0.0014681100000000, -0.0001131900000000 ] - [ 0.0008248700000000, 0.0012928000000000, -0.0001017000000000 ] - [ 0.0003489200000000, 0.0014884700000000, -0.0000853200000000 ] - [ 0.0007722500000000, 0.0013458900000000, -0.0001001600000000 ] - [ 0.0009667200000000, 0.0056963600000000, -0.0008279400000000 ] - [ 0.0011966200000000, 0.0056287700000000, -0.0007737400000000 ] - [ 0.0116313200000000, 0.0017646200000000, -0.0012924900000000 ] - [ 0.0083770600000000, 0.0054231900000000, 0.0002591600000000 ] - [ 0.0009789300000000, -0.0055773100000000, -0.0009895900000000 ] - [ 0.0012018800000000, -0.0056679600000000, -0.0008293300000000 ] - [ 0.0009037300000000, -0.0056722100000000, -0.0008897900000000 ] - [ 0.0012094000000000, -0.0056068400000000, -0.0008174700000000 ] - [ 0.0002440100000000, 0.0003984600000000, -0.0001618900000000 ] - [ 0.0001058900000000, -0.0002481900000000, 0.0001974600000000 ] - [ 0.0001831000000000, -0.0001900300000000, -0.0005112500000000 ] - [ -0.0002166500000000, -0.0000348100000000, -0.0003880600000000 ] - [ 0.0001814400000000, -0.0000744200000000, -0.0000474600000000 ] - [ 0.0001475800000000, -0.0003313900000000, -0.0002620600000000 ] - [ 0.0001606600000000, -0.0002135600000000, 0.0000042500000000 ] - [ 0.0002380600000000, -0.0000714300000000, -0.0005258100000000 ] - [ -0.0672191600000000, 0.0135958500000000, 0.0353875300000000 ] - [ 0.0021257300000000, -0.0055763500000000, 0.0005988700000000 ] - [ -0.0001586500000000, -0.0056731500000000, 0.0008958200000000 ] - [ 0.0002640700000000, -0.0057088700000000, 0.0007294700000000 ] - [ -0.0000827700000000, 0.0057789700000000, 0.0007790400000000 ] - [ 0.0002451900000000, 0.0057103300000000, 0.0007248700000000 ] - [ -0.0002623900000000, 0.0057768500000000, 0.0007344900000000 ] - [ 0.0003835700000000, 0.0056822000000000, 0.0006974500000000 ] - [ -0.0000741300000000, -0.0000337100000000, -0.0010816300000000 ] - [ 0.0000287400000000, -0.0004521000000000, -0.0019396200000000 ] - [ -0.0000778400000000, -0.0002619400000000, -0.0011109900000000 ] - [ -0.0000586500000000, 0.0003632700000000, -0.0016333800000000 ] - [ -0.0000447400000000, 0.0002613400000000, -0.0012721100000000 ] - [ -0.0002258200000000, -0.0000180700000000, -0.0011882500000000 ] - [ 0.0000523600000000, -0.0001805700000000, -0.0016563800000000 ] - [ 0.0007382400000000, 0.0016632000000000, 0.0020446200000000 ] - [ -0.0008934700000000, 0.0021565000000000, 0.0005859200000000 ] - [ -0.0010736500000000, 0.0018168600000000, 0.0002981700000000 ] - [ -0.0011544200000000, 0.0017874400000000, 0.0004836500000000 ] - [ -0.0008091400000000, 0.0021499400000000, 0.0003045400000000 ] - [ -0.0010816400000000, -0.0018297000000000, 0.0002715500000000 ] - [ -0.0011293500000000, -0.0019958100000000, 0.0004534300000000 ] - [ -0.0011372300000000, -0.0021027700000000, 0.0002014000000000 ] - [ -0.0008327200000000, -0.0017061600000000, 0.0005430700000000 ] - [ 0.0003399500000000, -0.0017121800000000, 0.0012336400000000 ] - [ 0.0005374100000000, -0.0013683500000000, 0.0011584500000000 ] - [ 0.0015793100000000, 0.0013889100000000, -0.0014713300000000 ] - [ 0.0005850300000000, -0.0019276400000000, 0.0016888900000000 ] - [ 0.0002571300000000, 0.0014847100000000, 0.0013028800000000 ] - [ 0.0005395800000000, 0.0014286700000000, 0.0010542100000000 ] - [ 0.0001726500000000, 0.0017991700000000, 0.0014096400000000 ] - [ 0.0005969000000000, 0.0012570000000000, 0.0009391100000000 ] - [ -0.0012458100000000, 0.0015256100000000, 0.0005587400000000 ] - [ -0.0004300100000000, 0.0021686200000000, 0.0006033300000000 ] - [ -0.0042678900000000, 0.0033385700000000, 0.0015940700000000 ] - [ 0.0060804400000000, 0.0067161600000000, 0.0017439100000000 ] - [ -0.0013064800000000, -0.0018807600000000, 0.0006349000000000 ] - [ -0.0004321400000000, -0.0017392000000000, 0.0011526000000000 ] - [ -0.0010870000000000, -0.0016749100000000, 0.0007090600000000 ] - [ -0.0006471400000000, -0.0020429600000000, 0.0009215500000000 ]- atom: 49 displacement: [ -0.0099999999133341, 0.0000000001139357, -0.0000013165557043 ] forces: - [ -0.0007079900000000, 0.0003454400000000, -0.0009850800000000 ] - [ 0.0000487600000000, 0.0003622200000000, -0.0011637300000000 ] - [ -0.0481192800000000, 0.0200949100000000, 0.0289904600000000 ] - [ 0.0031383100000000, 0.0003745600000000, 0.0007260900000000 ] - [ 0.0008660400000000, 0.0001094900000000, 0.0010763500000000 ] - [ 0.0006271000000000, -0.0007302000000000, 0.0006541500000000 ] - [ 0.0004482300000000, -0.0005679200000000, 0.0013139600000000 ] - [ 0.0021218500000000, 0.0007635300000000, -0.0001242600000000 ] - [ 0.0008616500000000, 0.0004519700000000, 0.0005333700000000 ] - [ 0.0002548100000000, -0.0000511800000000, 0.0014372100000000 ] - [ 0.0008149500000000, -0.0004501900000000, 0.0002725700000000 ] - [ 0.0007813800000000, 0.0019894100000000, 0.0012651900000000 ] - [ -0.0010125300000000, -0.0001228000000000, -0.0014076200000000 ] - [ 0.0002186000000000, -0.0004633600000000, -0.0013490800000000 ] - [ -0.0007693700000000, -0.0001353400000000, -0.0012041500000000 ] - [ 0.0000088500000000, -0.0003103400000000, -0.0012202900000000 ] - [ -0.0001506000000000, -0.0006502100000000, -0.0004110100000000 ] - [ -0.0003413100000000, -0.0006114900000000, -0.0003367200000000 ] - [ -0.0001384700000000, -0.0006590500000000, -0.0005472800000000 ] - [ -0.0003893300000000, -0.0005183200000000, -0.0002332600000000 ] - [ -0.0027823200000000, 0.0009257000000000, 0.0056474800000000 ] - [ -0.0006984200000000, 0.0007339900000000, -0.0006989200000000 ] - [ -0.0001766600000000, 0.0006816100000000, -0.0004184300000000 ] - [ -0.0003338300000000, 0.0005778500000000, -0.0003585100000000 ] - [ 0.0007987200000000, -0.0014413700000000, -0.0001482700000000 ] - [ 0.0003460200000000, -0.0014225000000000, -0.0000514900000000 ] - [ 0.0045666300000000, 0.0032885900000000, 0.0013541800000000 ] - [ -0.0002786900000000, -0.0017274900000000, -0.0001932500000000 ] - [ 0.0008556400000000, 0.0012783100000000, -0.0000331300000000 ] - [ 0.0003259000000000, 0.0014526100000000, -0.0000454600000000 ] - [ 0.0008013400000000, 0.0012573600000000, -0.0000615100000000 ] - [ 0.0003782000000000, 0.0014001900000000, -0.0000468700000000 ] - [ 0.0011309000000000, 0.0056220800000000, -0.0008295600000000 ] - [ 0.0008986800000000, 0.0056899000000000, -0.0008844300000000 ] - [ -0.0096894400000000, 0.0096128700000000, -0.0003553800000000 ] - [ -0.0061817200000000, 0.0059009700000000, -0.0019144500000000 ] - [ 0.0011185600000000, -0.0057403600000000, -0.0006680600000000 ] - [ 0.0008941500000000, -0.0056507400000000, -0.0008296800000000 ] - [ 0.0011930300000000, -0.0056461200000000, -0.0007681000000000 ] - [ 0.0008857800000000, -0.0057119400000000, -0.0008409400000000 ] - [ 0.0000410200000000, -0.0000901300000000, -0.0001016600000000 ] - [ 0.0001794200000000, 0.0005515700000000, -0.0004579500000000 ] - [ 0.0001040500000000, 0.0005016200000000, 0.0002506000000000 ] - [ 0.0004955900000000, 0.0003368700000000, 0.0001180700000000 ] - [ 0.0001038000000000, -0.0002345400000000, -0.0002185100000000 ] - [ 0.0001369600000000, 0.0000210700000000, -0.0000043600000000 ] - [ 0.0001247100000000, -0.0000947500000000, -0.0002707500000000 ] - [ 0.0000456500000000, -0.0002365400000000, 0.0002599100000000 ] - [ 0.0688138900000000, -0.0264592200000000, -0.0354276600000000 ] - [ -0.0019538700000000, -0.0058539700000000, 0.0009462500000000 ] - [ 0.0003292700000000, -0.0057548600000000, 0.0006477000000000 ] - [ -0.0000924200000000, -0.0057186300000000, 0.0008139500000000 ] - [ 0.0002546500000000, 0.0056488000000000, 0.0007635600000000 ] - [ -0.0000729700000000, 0.0057176400000000, 0.0008175400000000 ] - [ 0.0004326400000000, 0.0056517400000000, 0.0008081700000000 ] - [ -0.0002107700000000, 0.0057455000000000, 0.0008446300000000 ] - [ -0.0001899500000000, -0.0001810600000000, -0.0014132900000000 ] - [ -0.0002915200000000, 0.0002338100000000, -0.0005668600000000 ] - [ -0.0001863300000000, 0.0000482800000000, -0.0013844100000000 ] - [ -0.0002069200000000, -0.0005777900000000, -0.0008611600000000 ] - [ -0.0002196800000000, -0.0000455100000000, -0.0012214900000000 ] - [ -0.0000398000000000, 0.0002332300000000, -0.0013056900000000 ] - [ -0.0003155800000000, 0.0003983200000000, -0.0008326400000000 ] - [ -0.0010044900000000, -0.0014454300000000, -0.0045194600000000 ] - [ -0.0013942100000000, 0.0017600900000000, 0.0001131300000000 ] - [ -0.0012142600000000, 0.0021016500000000, 0.0004011200000000 ] - [ -0.0011293600000000, 0.0021327700000000, 0.0002170900000000 ] - [ -0.0014800900000000, 0.0017699800000000, 0.0003945600000000 ] - [ -0.0012060300000000, -0.0020893200000000, 0.0004275200000000 ] - [ -0.0011598500000000, -0.0019237200000000, 0.0002456600000000 ] - [ -0.0011485400000000, -0.0018163700000000, 0.0004976200000000 ] - [ -0.0014572900000000, -0.0022127100000000, 0.0001546800000000 ] - [ 0.0004538100000000, -0.0012065700000000, 0.0011277200000000 ] - [ 0.0002600100000000, -0.0015483300000000, 0.0012019800000000 ] - [ -0.0007941400000000, -0.0042990100000000, 0.0038252600000000 ] - [ 0.0002124300000000, -0.0009835700000000, 0.0006654300000000 ] - [ 0.0005385000000000, 0.0014321200000000, 0.0010568900000000 ] - [ 0.0002574700000000, 0.0014878600000000, 0.0013055200000000 ] - [ 0.0006230300000000, 0.0011177100000000, 0.0009489900000000 ] - [ 0.0002000100000000, 0.0016600900000000, 0.0014211700000000 ] - [ -0.0005028200000000, 0.0021080200000000, 0.0008136800000000 ] - [ -0.0013130300000000, 0.0014657300000000, 0.0007695000000000 ] - [ 0.0025320600000000, 0.0002793200000000, -0.0002323400000000 ] - [ -0.0076577300000000, -0.0027360900000000, -0.0002630000000000 ] - [ -0.0004419300000000, -0.0017532300000000, 0.0007390900000000 ] - [ -0.0013112600000000, -0.0018941400000000, 0.0002248400000000 ] - [ -0.0006602500000000, -0.0019598200000000, 0.0006644000000000 ] - [ -0.0010980400000000, -0.0015910800000000, 0.0004529100000000 ]- atom: 49 displacement: [ -0.0000000001462832, 0.0100000000000000, 0.0000000001023983 ] forces: - [ -0.0005297500000000, -0.0009115000000000, -0.0010223300000000 ] - [ -0.0003101300000000, 0.0000445800000000, -0.0010830700000000 ] - [ -0.0276542900000000, 0.0264795300000000, 0.0201161200000000 ] - [ -0.0006206200000000, 0.0003751300000000, -0.0015205000000000 ] - [ -0.0002635000000000, -0.0000525500000000, 0.0004036800000000 ] - [ 0.0010392300000000, -0.0005498900000000, 0.0006166600000000 ] - [ 0.0009144800000000, -0.0001283700000000, 0.0011336800000000 ] - [ -0.0009649500000000, -0.0007818300000000, 0.0014846500000000 ] - [ 0.0003869100000000, -0.0000691100000000, 0.0009349200000000 ] - [ 0.0005500500000000, -0.0002622200000000, 0.0014201200000000 ] - [ 0.0009792200000000, 0.0003953400000000, 0.0005942200000000 ] - [ -0.0000154400000000, -0.0004748400000000, 0.0004605400000000 ] - [ -0.0003229100000000, -0.0002880900000000, -0.0016576100000000 ] - [ -0.0003474100000000, -0.0001273600000000, -0.0011485600000000 ] - [ -0.0002716400000000, -0.0005843900000000, -0.0012584100000000 ] - [ -0.0004435700000000, -0.0004461100000000, -0.0012388700000000 ] - [ -0.0002729100000000, -0.0004993100000000, -0.0002978500000000 ] - [ -0.0002347700000000, -0.0005379500000000, -0.0003331100000000 ] - [ -0.0002546500000000, -0.0005995700000000, -0.0001190400000000 ] - [ -0.0002576300000000, -0.0007050600000000, -0.0004191900000000 ] - [ 0.0009090800000000, -0.0015239800000000, -0.0025020500000000 ] - [ -0.0002304000000000, 0.0005007900000000, -0.0003098900000000 ] - [ -0.0002092200000000, 0.0010611000000000, -0.0005905400000000 ] - [ -0.0002383100000000, 0.0007160400000000, -0.0004419600000000 ] - [ 0.0006745300000000, -0.0007577100000000, 0.0000403000000000 ] - [ 0.0005741300000000, -0.0012625600000000, -0.0000729700000000 ] - [ -0.0059839600000000, 0.0081279600000000, 0.0066696500000000 ] - [ 0.0005681100000000, -0.0014678000000000, -0.0000839600000000 ] - [ 0.0005906300000000, 0.0013237400000000, 0.0000086000000000 ] - [ 0.0005980500000000, 0.0012996000000000, -0.0000608600000000 ] - [ 0.0004907500000000, 0.0015221700000000, -0.0000703000000000 ] - [ 0.0005940200000000, 0.0014313800000000, -0.0000697700000000 ] - [ 0.0010398900000000, 0.0058212800000000, -0.0008452700000000 ] - [ 0.0009351600000000, 0.0057754700000000, -0.0008408300000000 ] - [ 0.0002713400000000, 0.0044393700000000, -0.0008702300000000 ] - [ 0.0029957900000000, 0.0052282900000000, -0.0008832200000000 ] - [ 0.0011613500000000, -0.0056421200000000, -0.0007439600000000 ] - [ 0.0009177800000000, -0.0057518100000000, -0.0007711200000000 ] - [ 0.0010379400000000, -0.0056161900000000, -0.0008194700000000 ] - [ 0.0011664500000000, -0.0055817300000000, -0.0008149000000000 ] - [ 0.0001666400000000, 0.0002571000000000, -0.0001816700000000 ] - [ 0.0000501900000000, 0.0006121900000000, -0.0005464900000000 ] - [ -0.0001050000000000, -0.0000326400000000, -0.0001050600000000 ] - [ 0.0002162800000000, -0.0001601600000000, -0.0003035400000000 ] - [ 0.0002363100000000, -0.0001368500000000, 0.0000406800000000 ] - [ 0.0000598700000000, 0.0000230500000000, -0.0000176100000000 ] - [ 0.0001081600000000, -0.0001855700000000, -0.0002112800000000 ] - [ 0.0002957700000000, -0.0001459900000000, -0.0004286300000000 ] - [ 0.0200723900000000, -0.0585176100000000, -0.0306477500000000 ] - [ 0.0002266700000000, -0.0058272100000000, 0.0008031600000000 ] - [ 0.0001269500000000, -0.0053085300000000, 0.0008701700000000 ] - [ 0.0000912500000000, -0.0056213600000000, 0.0007796400000000 ] - [ 0.0000210900000000, 0.0058360200000000, 0.0007660800000000 ] - [ 0.0000906000000000, 0.0057775300000000, 0.0007570500000000 ] - [ 0.0000231300000000, 0.0055849500000000, 0.0008895200000000 ] - [ 0.0001186700000000, 0.0056415400000000, 0.0007879000000000 ] - [ -0.0000165000000000, -0.0002029100000000, -0.0011611800000000 ] - [ -0.0002708700000000, 0.0001594900000000, -0.0007836700000000 ] - [ -0.0002072200000000, -0.0000207200000000, -0.0013196300000000 ] - [ -0.0000492100000000, 0.0003014700000000, -0.0015250400000000 ] - [ -0.0001058900000000, 0.0002280100000000, -0.0012665400000000 ] - [ -0.0001013300000000, 0.0003565000000000, -0.0013383900000000 ] - [ -0.0001809800000000, -0.0000889300000000, -0.0012301500000000 ] - [ 0.0007753600000000, 0.0003791000000000, 0.0009489800000000 ] - [ -0.0005464800000000, 0.0020107800000000, 0.0006858400000000 ] - [ -0.0013411400000000, 0.0020038800000000, 0.0003190000000000 ] - [ -0.0014174800000000, 0.0019177000000000, 0.0001823100000000 ] - [ -0.0008463200000000, 0.0020378900000000, 0.0003608900000000 ] - [ -0.0010962600000000, -0.0019115600000000, 0.0003422100000000 ] - [ -0.0012507700000000, -0.0019092600000000, 0.0002131500000000 ] - [ -0.0013218100000000, -0.0020208600000000, 0.0004831200000000 ] - [ -0.0009311700000000, -0.0018886400000000, 0.0004696200000000 ] - [ 0.0002216800000000, -0.0011864100000000, 0.0012516400000000 ] - [ 0.0006015700000000, -0.0013649600000000, 0.0011178500000000 ] - [ 0.0021925300000000, 0.0015894900000000, -0.0018055400000000 ] - [ 0.0003412300000000, -0.0015301700000000, 0.0011961100000000 ] - [ 0.0003686400000000, 0.0014416800000000, 0.0010724200000000 ] - [ 0.0004333500000000, 0.0014681200000000, 0.0011756600000000 ] - [ 0.0003948300000000, 0.0016184700000000, 0.0014153300000000 ] - [ 0.0003118500000000, 0.0014967200000000, 0.0012680000000000 ] - [ -0.0009301500000000, 0.0015567100000000, 0.0007387100000000 ] - [ -0.0007200100000000, 0.0009004800000000, 0.0006876100000000 ] - [ -0.0008883000000000, 0.0021178300000000, 0.0008338100000000 ] - [ 0.0093423200000000, 0.0203149300000000, 0.0071915600000000 ] - [ -0.0010175100000000, -0.0017532600000000, 0.0006080100000000 ] - [ -0.0007742000000000, -0.0017300800000000, 0.0003244700000000 ] - [ -0.0008736100000000, -0.0019082700000000, 0.0006450000000000 ] - [ -0.0008639300000000, -0.0020993900000000, 0.0006534000000000 ]- atom: 49 displacement: [ 0.0000000001462832, -0.0100000000000000, -0.0000000001023983 ] forces: - [ -0.0001972200000000, 0.0015006600000000, -0.0013168200000000 ] - [ -0.0004231900000000, 0.0005388300000000, -0.0012606100000000 ] - [ 0.0264821500000000, -0.0259943800000000, -0.0221368800000000 ] - [ -0.0001113200000000, 0.0002058300000000, -0.0008166200000000 ] - [ 0.0012990600000000, -0.0002202100000000, 0.0012948500000000 ] - [ -0.0000227700000000, 0.0002871200000000, 0.0010834500000000 ] - [ 0.0001130000000000, -0.0001364000000000, 0.0005550100000000 ] - [ 0.0019901200000000, 0.0005182500000000, 0.0002009900000000 ] - [ 0.0006405600000000, 0.0003346900000000, 0.0007557500000000 ] - [ 0.0004792800000000, 0.0005322200000000, 0.0002608800000000 ] - [ 0.0000506800000000, -0.0001232200000000, 0.0010988000000000 ] - [ 0.0010419200000000, 0.0007450800000000, 0.0012409500000000 ] - [ -0.0004038500000000, -0.0002999000000000, -0.0006817400000000 ] - [ -0.0003865300000000, -0.0004564700000000, -0.0011916400000000 ] - [ -0.0004592900000000, 0.0000046700000000, -0.0010806800000000 ] - [ -0.0002889400000000, -0.0001336500000000, -0.0011005300000000 ] - [ -0.0002190300000000, -0.0007324300000000, -0.0004613700000000 ] - [ -0.0002565200000000, -0.0006938900000000, -0.0004258100000000 ] - [ -0.0002384600000000, -0.0006282200000000, -0.0006363600000000 ] - [ -0.0002334600000000, -0.0005246000000000, -0.0003382700000000 ] - [ -0.0013722300000000, 0.0027613900000000, 0.0017097900000000 ] - [ -0.0002606400000000, 0.0007310400000000, -0.0004491800000000 ] - [ -0.0002837600000000, 0.0001670900000000, -0.0001654100000000 ] - [ -0.0002532500000000, 0.0005131200000000, -0.0003147000000000 ] - [ 0.0004747500000000, -0.0019892500000000, -0.0001858500000000 ] - [ 0.0005780300000000, -0.0014779800000000, -0.0000710600000000 ] - [ 0.0070188800000000, -0.0107094100000000, -0.0066937800000000 ] - [ 0.0005833300000000, -0.0012724000000000, -0.0000604100000000 ] - [ 0.0005581700000000, 0.0014182700000000, -0.0001538300000000 ] - [ 0.0005538600000000, 0.0014407700000000, -0.0000841000000000 ] - [ 0.0006603600000000, 0.0012164200000000, -0.0000743400000000 ] - [ 0.0005577900000000, 0.0013071300000000, -0.0000750000000000 ] - [ 0.0010492700000000, 0.0055001500000000, -0.0008156700000000 ] - [ 0.0011594000000000, 0.0055450200000000, -0.0008185400000000 ] - [ 0.0018699100000000, 0.0068598600000000, -0.0007915400000000 ] - [ -0.0009069700000000, 0.0060921300000000, -0.0007780800000000 ] - [ 0.0009305000000000, -0.0056790500000000, -0.0009169000000000 ] - [ 0.0011762100000000, -0.0055695300000000, -0.0008900100000000 ] - [ 0.0010528500000000, -0.0057066800000000, -0.0008408100000000 ] - [ 0.0009253000000000, -0.0057411400000000, -0.0008454800000000 ] - [ 0.0001190900000000, 0.0000489800000000, -0.0000836300000000 ] - [ 0.0002379700000000, -0.0003140600000000, 0.0002883500000000 ] - [ 0.0003891500000000, 0.0003347700000000, -0.0001632100000000 ] - [ 0.0000646500000000, 0.0004538600000000, 0.0000249800000000 ] - [ 0.0000480700000000, -0.0001686800000000, -0.0003116700000000 ] - [ 0.0002264900000000, -0.0003309600000000, -0.0002529300000000 ] - [ 0.0001772400000000, -0.0001210800000000, -0.0000560500000000 ] - [ -0.0000097700000000, -0.0001608800000000, 0.0001605500000000 ] - [ -0.0199861200000000, 0.0464417600000000, 0.0315554400000000 ] - [ -0.0000515800000000, -0.0055963700000000, 0.0007362900000000 ] - [ 0.0000447100000000, -0.0061201000000000, 0.0006690500000000 ] - [ 0.0000805800000000, -0.0058049900000000, 0.0007603700000000 ] - [ 0.0001512300000000, 0.0055884700000000, 0.0007732900000000 ] - [ 0.0000823000000000, 0.0056470200000000, 0.0007822400000000 ] - [ 0.0001469000000000, 0.0058425800000000, 0.0006488800000000 ] - [ 0.0000544900000000, 0.0057843600000000, 0.0007507400000000 ] - [ -0.0002527700000000, -0.0000069100000000, -0.0013355300000000 ] - [ 0.0000040200000000, -0.0003740500000000, -0.0017214100000000 ] - [ -0.0000603600000000, -0.0001935000000000, -0.0011757500000000 ] - [ -0.0002181300000000, -0.0005146300000000, -0.0009709100000000 ] - [ -0.0001617400000000, -0.0000136100000000, -0.0012282400000000 ] - [ -0.0001666600000000, -0.0001444800000000, -0.0011549100000000 ] - [ -0.0000866700000000, 0.0003002000000000, -0.0012677000000000 ] - [ -0.0010408200000000, -0.0001710600000000, -0.0034377300000000 ] - [ -0.0017426600000000, 0.0019083800000000, 0.0000088700000000 ] - [ -0.0009356400000000, 0.0019150700000000, 0.0003809700000000 ] - [ -0.0008625700000000, 0.0020003300000000, 0.0005186400000000 ] - [ -0.0014342400000000, 0.0018805500000000, 0.0003401200000000 ] - [ -0.0011857300000000, -0.0020075000000000, 0.0003564900000000 ] - [ -0.0010299200000000, -0.0020109900000000, 0.0004875700000000 ] - [ -0.0009612700000000, -0.0019001300000000, 0.0002154700000000 ] - [ -0.0013521200000000, -0.0020317300000000, 0.0002267700000000 ] - [ 0.0005742700000000, -0.0017393900000000, 0.0011081900000000 ] - [ 0.0001880300000000, -0.0015542500000000, 0.0012458200000000 ] - [ -0.0013845400000000, -0.0044654500000000, 0.0041293200000000 ] - [ 0.0004508000000000, -0.0013917200000000, 0.0011699900000000 ] - [ 0.0004224200000000, 0.0014775400000000, 0.0012921400000000 ] - [ 0.0003586100000000, 0.0014506200000000, 0.0011866800000000 ] - [ 0.0003987300000000, 0.0012981100000000, 0.0009444000000000 ] - [ 0.0004805100000000, 0.0014204000000000, 0.0010934300000000 ] - [ -0.0008178600000000, 0.0020750200000000, 0.0006312800000000 ] - [ -0.0010323800000000, 0.0027422200000000, 0.0006820800000000 ] - [ -0.0008726600000000, 0.0015240200000000, 0.0005433200000000 ] - [ -0.0105186800000000, -0.0160815400000000, -0.0055492500000000 ] - [ -0.0007322300000000, -0.0018835400000000, 0.0007657000000000 ] - [ -0.0009722600000000, -0.0019059100000000, 0.0010550100000000 ] - [ -0.0008745500000000, -0.0017244400000000, 0.0007275500000000 ] - [ -0.0008842400000000, -0.0015332500000000, 0.0007204800000000 ]- atom: 49 displacement: [ -0.0004071772244389, 0.0000000000853433, 0.0099917068966167 ] forces: - [ -0.0005452000000000, -0.0000661300000000, -0.0009485800000000 ] - [ -0.0002062400000000, 0.0002564000000000, -0.0010410600000000 ] - [ -0.0354767800000000, 0.0200339600000000, 0.0317509200000000 ] - [ 0.0004488200000000, 0.0003816300000000, -0.0003570800000000 ] - [ 0.0002148700000000, -0.0001264100000000, 0.0006322200000000 ] - [ 0.0008254100000000, -0.0004565400000000, 0.0004827600000000 ] - [ 0.0005564800000000, -0.0001485300000000, 0.0008420000000000 ] - [ 0.0015079100000000, 0.0002376200000000, 0.0001628700000000 ] - [ 0.0008094400000000, 0.0003498200000000, 0.0008227600000000 ] - [ 0.0002679600000000, 0.0000830100000000, 0.0013905400000000 ] - [ 0.0009500700000000, -0.0001625800000000, 0.0007497300000000 ] - [ 0.0001019800000000, -0.0010287000000000, 0.0008750800000000 ] - [ -0.0003918800000000, -0.0005432100000000, -0.0022509500000000 ] - [ -0.0002640800000000, -0.0003022100000000, -0.0014052600000000 ] - [ -0.0004850700000000, -0.0002685800000000, -0.0013432700000000 ] - [ -0.0002692900000000, -0.0003391600000000, -0.0013063100000000 ] - [ -0.0002206400000000, -0.0005950100000000, -0.0003162300000000 ] - [ -0.0002843700000000, -0.0005888000000000, -0.0003138300000000 ] - [ -0.0001240000000000, -0.0004029500000000, 0.0005642000000000 ] - [ -0.0002912100000000, -0.0005819400000000, -0.0002681900000000 ] - [ -0.0059695100000000, 0.0003125900000000, 0.0054796000000000 ] - [ -0.0003075000000000, 0.0006313400000000, -0.0005967300000000 ] - [ -0.0002185300000000, 0.0008046800000000, -0.0004916400000000 ] - [ -0.0002654500000000, 0.0006445100000000, -0.0004297700000000 ] - [ 0.0006949000000000, -0.0012159000000000, -0.0000657500000000 ] - [ 0.0004789700000000, -0.0013709400000000, -0.0000837300000000 ] - [ -0.0012606300000000, 0.0044732500000000, 0.0003010100000000 ] - [ 0.0003169500000000, -0.0015215800000000, -0.0001833900000000 ] - [ 0.0006181400000000, 0.0013522300000000, 0.0000699300000000 ] - [ 0.0005284600000000, 0.0013617400000000, -0.0000274300000000 ] - [ 0.0006212500000000, 0.0013434700000000, -0.0000200300000000 ] - [ 0.0005269800000000, 0.0013921700000000, -0.0000369300000000 ] - [ 0.0010722800000000, 0.0056819300000000, -0.0008766300000000 ] - [ 0.0009415000000000, 0.0057045700000000, -0.0008892900000000 ] - [ 0.0013908300000000, 0.0054217000000000, -0.0020860700000000 ] - [ -0.0000316600000000, 0.0055873300000000, -0.0016557400000000 ] - [ 0.0011692900000000, -0.0056811600000000, -0.0004858000000000 ] - [ 0.0010207000000000, -0.0056917900000000, -0.0007284100000000 ] - [ 0.0011016900000000, -0.0056539200000000, -0.0007633100000000 ] - [ 0.0010406400000000, -0.0056544500000000, -0.0007768500000000 ] - [ 0.0000698600000000, 0.0000114200000000, -0.0002239200000000 ] - [ 0.0003120000000000, 0.0002321800000000, -0.0003983200000000 ] - [ 0.0000071700000000, 0.0001464300000000, -0.0002101800000000 ] - [ 0.0002995300000000, 0.0003030200000000, -0.0004374200000000 ] - [ 0.0001765900000000, -0.0001615600000000, -0.0000095000000000 ] - [ 0.0001150800000000, -0.0000388600000000, 0.0000392300000000 ] - [ 0.0001396100000000, -0.0001646200000000, -0.0001079100000000 ] - [ 0.0000966700000000, -0.0001785100000000, 0.0001631000000000 ] - [ 0.0387782300000000, -0.0378933800000000, -0.0443876500000000 ] - [ -0.0001716000000000, -0.0056839700000000, 0.0007421100000000 ] - [ 0.0002179800000000, -0.0056143200000000, 0.0007167600000000 ] - [ 0.0000351400000000, -0.0057031000000000, 0.0007598400000000 ] - [ 0.0000991500000000, 0.0057135700000000, 0.0008227800000000 ] - [ 0.0000322800000000, 0.0057251800000000, 0.0008053300000000 ] - [ 0.0000622900000000, 0.0055898800000000, 0.0010161500000000 ] - [ -0.0000009000000000, 0.0056953200000000, 0.0008326800000000 ] - [ -0.0000946200000000, -0.0001313600000000, -0.0011678500000000 ] - [ -0.0003851000000000, 0.0001320900000000, -0.0005126200000000 ] - [ -0.0001473100000000, -0.0000895100000000, -0.0012462800000000 ] - [ -0.0001969500000000, -0.0003773800000000, -0.0009684200000000 ] - [ -0.0001853100000000, 0.0000384200000000, -0.0012662300000000 ] - [ -0.0000891000000000, 0.0001997700000000, -0.0013439300000000 ] - [ -0.0002717300000000, 0.0002226000000000, -0.0013955200000000 ] - [ 0.0009489400000000, 0.0013823100000000, 0.0004656000000000 ] - [ -0.0009027600000000, 0.0019753700000000, 0.0004651200000000 ] - [ -0.0012670800000000, 0.0020287800000000, 0.0003834400000000 ] - [ -0.0011588300000000, 0.0019546700000000, 0.0003222500000000 ] - [ -0.0013751500000000, 0.0018834700000000, 0.0003477300000000 ] - [ -0.0012288000000000, -0.0020743100000000, 0.0003795100000000 ] - [ -0.0011372300000000, -0.0019515000000000, 0.0002647600000000 ] - [ -0.0012944700000000, -0.0018550000000000, 0.0004159100000000 ] - [ -0.0009087900000000, -0.0017784400000000, 0.0004716000000000 ] - [ 0.0002968400000000, -0.0012249100000000, 0.0012111100000000 ] - [ 0.0004626800000000, -0.0014188600000000, 0.0011196400000000 ] - [ -0.0005806700000000, -0.0031083100000000, 0.0023924500000000 ] - [ 0.0003630900000000, -0.0014638300000000, 0.0011686300000000 ] - [ 0.0005161900000000, 0.0013980100000000, 0.0011071200000000 ] - [ 0.0003155300000000, 0.0014719100000000, 0.0012541000000000 ] - [ 0.0003724700000000, 0.0016647600000000, 0.0013964700000000 ] - [ 0.0002757000000000, 0.0015694400000000, 0.0013145000000000 ] - [ -0.0007300500000000, 0.0019210900000000, 0.0008877000000000 ] - [ -0.0009484300000000, 0.0013456100000000, 0.0009109100000000 ] - [ -0.0005404100000000, 0.0019468000000000, 0.0010238100000000 ] - [ 0.0025460000000000, 0.0099144600000000, 0.0047131300000000 ] - [ -0.0007139900000000, -0.0017406900000000, 0.0004880800000000 ] - [ -0.0010152000000000, -0.0017471600000000, 0.0001272900000000 ] - [ -0.0008187900000000, -0.0018654300000000, 0.0005365300000000 ] - [ -0.0009691900000000, -0.0018550000000000, 0.0002350000000000 ]- atom: 49 displacement: [ 0.0004071772244389, -0.0000000000853433, -0.0099917068966167 ] forces: - [ -0.0001860100000000, 0.0006473100000000, -0.0013946800000000 ] - [ -0.0005256200000000, 0.0003240500000000, -0.0013015200000000 ] - [ 0.0336857000000000, -0.0189019900000000, -0.0337861700000000 ] - [ -0.0011792200000000, 0.0002000300000000, -0.0019817400000000 ] - [ 0.0008179900000000, -0.0001422900000000, 0.0010623400000000 ] - [ 0.0001942700000000, 0.0001954700000000, 0.0012141400000000 ] - [ 0.0004720500000000, -0.0001179500000000, 0.0008473200000000 ] - [ -0.0004814000000000, -0.0005036300000000, 0.0015299300000000 ] - [ 0.0002199500000000, -0.0000813300000000, 0.0008688900000000 ] - [ 0.0007609400000000, 0.0001831600000000, 0.0003034500000000 ] - [ 0.0000772500000000, 0.0004296800000000, 0.0009437200000000 ] - [ 0.0009306400000000, 0.0013015700000000, 0.0008206800000000 ] - [ -0.0003420700000000, -0.0000337600000000, -0.0000822900000000 ] - [ -0.0004687000000000, -0.0002789300000000, -0.0009349200000000 ] - [ -0.0002465500000000, -0.0003111500000000, -0.0009957800000000 ] - [ -0.0004628900000000, -0.0002401400000000, -0.0010328300000000 ] - [ -0.0002732800000000, -0.0006378300000000, -0.0004490500000000 ] - [ -0.0002089800000000, -0.0006440900000000, -0.0004512400000000 ] - [ -0.0003757600000000, -0.0008291200000000, -0.0013473200000000 ] - [ -0.0002019700000000, -0.0006497300000000, -0.0004959800000000 ] - [ 0.0053926100000000, 0.0009106500000000, -0.0061680500000000 ] - [ -0.0001862600000000, 0.0006011700000000, -0.0001675200000000 ] - [ -0.0002752300000000, 0.0004264800000000, -0.0002715000000000 ] - [ -0.0002281500000000, 0.0005873400000000, -0.0003336600000000 ] - [ 0.0004545800000000, -0.0015304100000000, -0.0000804600000000 ] - [ 0.0006707800000000, -0.0013748600000000, -0.0000626200000000 ] - [ 0.0024119500000000, -0.0072027000000000, -0.0004758800000000 ] - [ 0.0008333700000000, -0.0012242100000000, 0.0000367600000000 ] - [ 0.0005317800000000, 0.0013928500000000, -0.0002179800000000 ] - [ 0.0006216500000000, 0.0013842300000000, -0.0001199300000000 ] - [ 0.0005286100000000, 0.0014021300000000, -0.0001272900000000 ] - [ 0.0006232800000000, 0.0013531200000000, -0.0001103700000000 ] - [ 0.0010236000000000, 0.0056365100000000, -0.0007811200000000 ] - [ 0.0011545800000000, 0.0056140600000000, -0.0007682000000000 ] - [ 0.0007399000000000, 0.0058868200000000, 0.0004264000000000 ] - [ 0.0021098700000000, 0.0057314300000000, 0.0000028500000000 ] - [ 0.0009236200000000, -0.0056387900000000, -0.0011750100000000 ] - [ 0.0010762300000000, -0.0056264400000000, -0.0009310100000000 ] - [ 0.0009933200000000, -0.0056650600000000, -0.0008952100000000 ] - [ 0.0010546400000000, -0.0056646900000000, -0.0008818600000000 ] - [ 0.0002145700000000, 0.0002963300000000, -0.0000404400000000 ] - [ -0.0000267000000000, 0.0000775100000000, 0.0001338700000000 ] - [ 0.0002781600000000, 0.0001609500000000, -0.0000554800000000 ] - [ -0.0000150800000000, 0.0000052200000000, 0.0001747000000000 ] - [ 0.0001073800000000, -0.0001469000000000, -0.0002577000000000 ] - [ 0.0001703200000000, -0.0002719400000000, -0.0003071800000000 ] - [ 0.0001447600000000, -0.0001433600000000, -0.0001575600000000 ] - [ 0.0001878100000000, -0.0001296900000000, -0.0004294700000000 ] - [ -0.0375147400000000, 0.0258896600000000, 0.0457046400000000 ] - [ 0.0003437900000000, -0.0057418600000000, 0.0007999000000000 ] - [ -0.0000478100000000, -0.0058140300000000, 0.0008267800000000 ] - [ 0.0001360800000000, -0.0057248400000000, 0.0007832100000000 ] - [ 0.0000727200000000, 0.0057139400000000, 0.0007190500000000 ] - [ 0.0001398400000000, 0.0057023000000000, 0.0007366700000000 ] - [ 0.0001105200000000, 0.0058385300000000, 0.0005236800000000 ] - [ 0.0001726200000000, 0.0057328700000000, 0.0007091100000000 ] - [ -0.0001716900000000, -0.0000821300000000, -0.0013269000000000 ] - [ 0.0001296400000000, -0.0003528900000000, -0.0020025600000000 ] - [ -0.0001178600000000, -0.0001255600000000, -0.0012482100000000 ] - [ -0.0000681300000000, 0.0001634900000000, -0.0015277300000000 ] - [ -0.0000799100000000, 0.0001772700000000, -0.0012279300000000 ] - [ -0.0001757400000000, 0.0000170600000000, -0.0011506600000000 ] - [ 0.0000069000000000, -0.0000063500000000, -0.0011004000000000 ] - [ -0.0012034100000000, -0.0011574200000000, -0.0029465100000000 ] - [ -0.0013886900000000, 0.0019438200000000, 0.0002329600000000 ] - [ -0.0010171500000000, 0.0018897600000000, 0.0003172700000000 ] - [ -0.0011284800000000, 0.0019642500000000, 0.0003786000000000 ] - [ -0.0009106500000000, 0.0020355400000000, 0.0003530000000000 ] - [ -0.0010601200000000, -0.0018454300000000, 0.0003191300000000 ] - [ -0.0011520000000000, -0.0019677200000000, 0.0004332400000000 ] - [ -0.0009938200000000, -0.0020643800000000, 0.0002818200000000 ] - [ -0.0013806100000000, -0.0021411300000000, 0.0002263100000000 ] - [ 0.0005014100000000, -0.0016970200000000, 0.0011500300000000 ] - [ 0.0003319000000000, -0.0014985100000000, 0.0012411800000000 ] - [ 0.0013809500000000, 0.0001981800000000, -0.0000265100000000 ] - [ 0.0004330000000000, -0.0014546400000000, 0.0011936500000000 ] - [ 0.0002800800000000, 0.0015183200000000, 0.0012503600000000 ] - [ 0.0004804100000000, 0.0014444000000000, 0.0011049400000000 ] - [ 0.0004237700000000, 0.0012503500000000, 0.0009608500000000 ] - [ 0.0005208900000000, 0.0013466900000000, 0.0010441700000000 ] - [ -0.0010166300000000, 0.0017123100000000, 0.0004830900000000 ] - [ -0.0007996500000000, 0.0022883300000000, 0.0004542800000000 ] - [ -0.0012133800000000, 0.0016893200000000, 0.0003511800000000 ] - [ -0.0042793500000000, -0.0062724900000000, -0.0034331200000000 ] - [ -0.0010308900000000, -0.0018936100000000, 0.0008850500000000 ] - [ -0.0007313700000000, -0.0018858800000000, 0.0012534400000000 ] - [ -0.0009275000000000, -0.0017687600000000, 0.0008366800000000 ] - [ -0.0007771900000000, -0.0017788300000000, 0.0011402400000000 ]- atom: 57 displacement: [ 0.0099999999133341, -0.0000000001139357, 0.0000013165557043 ] forces: - [ -0.0003773400000000, 0.0006692900000000, -0.0012883300000000 ] - [ -0.0004788900000000, 0.0002705100000000, -0.0011833300000000 ] - [ -0.0002865500000000, 0.0001021800000000, -0.0012187000000000 ] - [ -0.0005084100000000, 0.0003919100000000, -0.0012333300000000 ] - [ 0.0155073200000000, -0.0235493600000000, 0.0070056000000000 ] - [ -0.0000599800000000, -0.0002459500000000, 0.0010508400000000 ] - [ 0.0006916000000000, 0.0002135100000000, 0.0009990900000000 ] - [ 0.0003174200000000, -0.0000786700000000, 0.0008878200000000 ] - [ 0.0008677900000000, 0.0000904900000000, 0.0007658100000000 ] - [ 0.0001783000000000, 0.0001045200000000, 0.0006641300000000 ] - [ 0.0006916200000000, 0.0001717300000000, 0.0008212700000000 ] - [ 0.0003306600000000, 0.0001465300000000, 0.0007653500000000 ] - [ -0.0008414500000000, -0.0005868700000000, -0.0003968000000000 ] - [ -0.0017072500000000, 0.0009111500000000, -0.0014516200000000 ] - [ -0.0004582600000000, -0.0000860800000000, -0.0009020700000000 ] - [ -0.0003385000000000, -0.0002653700000000, -0.0013097700000000 ] - [ -0.0002135100000000, -0.0007208700000000, -0.0005341700000000 ] - [ -0.0002500100000000, -0.0005767800000000, -0.0003557300000000 ] - [ 0.0017901000000000, 0.0005580700000000, -0.0007151900000000 ] - [ 0.0006086000000000, -0.0011864900000000, -0.0004916500000000 ] - [ -0.0002618700000000, 0.0006658800000000, -0.0003841500000000 ] - [ -0.0002150400000000, 0.0005983300000000, -0.0003605600000000 ] - [ -0.0002598600000000, 0.0005426500000000, -0.0003231200000000 ] - [ -0.0002335900000000, 0.0006192600000000, -0.0003846100000000 ] - [ 0.0007213700000000, -0.0015662200000000, 0.0000080500000000 ] - [ 0.0006008900000000, -0.0013609800000000, -0.0001023000000000 ] - [ 0.0005868000000000, -0.0013146200000000, -0.0000576600000000 ] - [ 0.0005762900000000, -0.0014357600000000, -0.0000831500000000 ] - [ 0.0008463900000000, 0.0014470000000000, -0.0001963700000000 ] - [ 0.0040076300000000, 0.0027437500000000, 0.0019735200000000 ] - [ 0.0006309100000000, 0.0013012800000000, -0.0001003200000000 ] - [ 0.0005675200000000, 0.0013185900000000, -0.0000508300000000 ] - [ 0.0008384800000000, 0.0056134400000000, -0.0007847500000000 ] - [ 0.0011478700000000, 0.0056429600000000, -0.0008031500000000 ] - [ 0.0009922100000000, 0.0058230100000000, -0.0005979900000000 ] - [ 0.0011777700000000, 0.0056190800000000, -0.0007976500000000 ] - [ 0.0012753200000000, -0.0053048900000000, -0.0018429300000000 ] - [ 0.0015965100000000, -0.0056915100000000, -0.0006585100000000 ] - [ 0.0009524900000000, -0.0057594500000000, -0.0008680800000000 ] - [ 0.0011053400000000, -0.0056539600000000, -0.0008030400000000 ] - [ 0.0000617800000000, 0.0000621300000000, -0.0000993200000000 ] - [ 0.0002169100000000, 0.0001811500000000, -0.0000405000000000 ] - [ 0.0001061500000000, 0.0001379800000000, -0.0001274500000000 ] - [ 0.0001693600000000, 0.0001462400000000, -0.0001016300000000 ] - [ -0.0016333700000000, -0.0035612600000000, -0.0025278700000000 ] - [ 0.0003163300000000, -0.0001814200000000, -0.0002062000000000 ] - [ 0.0001753200000000, -0.0003296800000000, -0.0001550600000000 ] - [ 0.0001835800000000, -0.0002012400000000, -0.0001359100000000 ] - [ 0.0001408400000000, -0.0055964500000000, 0.0008155900000000 ] - [ 0.0002410500000000, -0.0058511000000000, 0.0005266300000000 ] - [ 0.0001366600000000, -0.0057880600000000, 0.0007622300000000 ] - [ 0.0001575100000000, -0.0056294400000000, 0.0007130100000000 ] - [ 0.0001701700000000, 0.0056871900000000, 0.0007252900000000 ] - [ -0.0000095300000000, 0.0056823500000000, 0.0008136600000000 ] - [ 0.0002662300000000, 0.0057615600000000, 0.0006424800000000 ] - [ 0.0009537500000000, 0.0048075600000000, 0.0018815000000000 ] - [ -0.0236273000000000, 0.0277824400000000, -0.0095149900000000 ] - [ -0.0000168300000000, -0.0001149700000000, -0.0012713600000000 ] - [ -0.0001253800000000, -0.0002250700000000, -0.0012850800000000 ] - [ -0.0000925300000000, -0.0001500000000000, -0.0012529900000000 ] - [ -0.0001953400000000, 0.0000853800000000, -0.0012263000000000 ] - [ -0.0000408900000000, 0.0001515500000000, -0.0011648900000000 ] - [ -0.0001730100000000, 0.0000745800000000, -0.0012302300000000 ] - [ -0.0000897700000000, 0.0001239000000000, -0.0012003200000000 ] - [ 0.0020987900000000, -0.0025992800000000, 0.0039985000000000 ] - [ -0.0009305900000000, 0.0019925100000000, 0.0003547700000000 ] - [ -0.0012549000000000, 0.0019151900000000, 0.0002908400000000 ] - [ -0.0010745800000000, 0.0019373200000000, 0.0003564900000000 ] - [ -0.0012509500000000, -0.0019490300000000, 0.0002857800000000 ] - [ -0.0009564100000000, -0.0019447400000000, 0.0004664000000000 ] - [ -0.0012199100000000, -0.0019592100000000, 0.0003316500000000 ] - [ -0.0010526500000000, -0.0019738200000000, 0.0004061500000000 ] - [ 0.0006134500000000, -0.0013586800000000, 0.0010927700000000 ] - [ -0.0004517200000000, 0.0007932100000000, -0.0005502900000000 ] - [ 0.0004738500000000, -0.0014351500000000, 0.0011501000000000 ] - [ 0.0003504700000000, -0.0015465800000000, 0.0011209500000000 ] - [ 0.0005139600000000, 0.0014478700000000, 0.0011780800000000 ] - [ 0.0001357100000000, 0.0015712900000000, 0.0011855400000000 ] - [ 0.0004596700000000, 0.0014338700000000, 0.0011652300000000 ] - [ 0.0003432200000000, 0.0014415400000000, 0.0012072700000000 ] - [ -0.0003922000000000, 0.0017956700000000, 0.0010895800000000 ] - [ -0.0012085700000000, 0.0018819600000000, 0.0005941600000000 ] - [ -0.0006386900000000, 0.0018500400000000, 0.0007838100000000 ] - [ -0.0010836900000000, 0.0017513500000000, 0.0006334100000000 ] - [ 0.0004395800000000, -0.0030598700000000, 0.0007454600000000 ] - [ -0.0015342500000000, -0.0019114000000000, 0.0007748100000000 ] - [ -0.0007517800000000, -0.0015581400000000, 0.0006478700000000 ] - [ -0.0010362200000000, -0.0017525500000000, 0.0006887500000000 ]- atom: 57 displacement: [ -0.0099999999133341, 0.0000000001139357, -0.0000013165557043 ] forces: - [ -0.0003534400000000, -0.0000905400000000, -0.0010508600000000 ] - [ -0.0002554700000000, 0.0003069300000000, -0.0011555500000000 ] - [ -0.0004472000000000, 0.0004773500000000, -0.0011219600000000 ] - [ -0.0002220100000000, 0.0001857500000000, -0.0011069800000000 ] - [ -0.0146768700000000, 0.0231456600000000, -0.0052577200000000 ] - [ 0.0010895800000000, -0.0000204800000000, 0.0006405000000000 ] - [ 0.0003326300000000, -0.0004869700000000, 0.0006942000000000 ] - [ 0.0007117600000000, -0.0001894000000000, 0.0008048300000000 ] - [ 0.0001591000000000, 0.0001769300000000, 0.0009247400000000 ] - [ 0.0008528800000000, 0.0001624700000000, 0.0010279300000000 ] - [ 0.0003370500000000, 0.0000949000000000, 0.0008694600000000 ] - [ 0.0006998700000000, 0.0001202100000000, 0.0009261600000000 ] - [ 0.0001155200000000, 0.0000069600000000, -0.0019439200000000 ] - [ 0.0009824300000000, -0.0014927100000000, -0.0008847800000000 ] - [ -0.0002729700000000, -0.0004950700000000, -0.0014384200000000 ] - [ -0.0003949100000000, -0.0003145000000000, -0.0010285300000000 ] - [ -0.0002831500000000, -0.0005134200000000, -0.0002376300000000 ] - [ -0.0002451700000000, -0.0006589600000000, -0.0004162100000000 ] - [ -0.0022361100000000, -0.0017649600000000, -0.0000600100000000 ] - [ -0.0011274700000000, -0.0000382300000000, -0.0002824300000000 ] - [ -0.0002332800000000, 0.0005698900000000, -0.0003870600000000 ] - [ -0.0002805400000000, 0.0006379800000000, -0.0004109200000000 ] - [ -0.0002357600000000, 0.0006939200000000, -0.0004487500000000 ] - [ -0.0002613200000000, 0.0006174500000000, -0.0003876200000000 ] - [ 0.0004259500000000, -0.0011860800000000, -0.0001561000000000 ] - [ 0.0005482000000000, -0.0013904100000000, -0.0000466300000000 ] - [ 0.0005609900000000, -0.0014374500000000, -0.0000903700000000 ] - [ 0.0005709200000000, -0.0013162300000000, -0.0000646900000000 ] - [ 0.0002987200000000, 0.0013058000000000, 0.0000488500000000 ] - [ -0.0029033700000000, -0.0000270200000000, -0.0021622200000000 ] - [ 0.0005160600000000, 0.0014523700000000, -0.0000479900000000 ] - [ 0.0005802900000000, 0.0014350600000000, -0.0000978900000000 ] - [ 0.0012592600000000, 0.0057023900000000, -0.0008711500000000 ] - [ 0.0009516800000000, 0.0056726900000000, -0.0008520800000000 ] - [ 0.0011096900000000, 0.0054934700000000, -0.0010528400000000 ] - [ 0.0009208400000000, 0.0056967600000000, -0.0008575600000000 ] - [ 0.0008184900000000, -0.0060121600000000, 0.0001838300000000 ] - [ 0.0005000500000000, -0.0056241100000000, -0.0009975400000000 ] - [ 0.0011473200000000, -0.0055544800000000, -0.0007870200000000 ] - [ 0.0009939900000000, -0.0056610700000000, -0.0008521900000000 ] - [ 0.0002208500000000, 0.0002475900000000, -0.0001626300000000 ] - [ 0.0000656500000000, 0.0001286700000000, -0.0002207300000000 ] - [ 0.0001769400000000, 0.0001722500000000, -0.0001329800000000 ] - [ 0.0001135200000000, 0.0001638800000000, -0.0001594100000000 ] - [ 0.0018866300000000, 0.0032780200000000, 0.0022715200000000 ] - [ -0.0000340600000000, -0.0001289100000000, -0.0000565100000000 ] - [ 0.0001073200000000, 0.0000222800000000, -0.0001080300000000 ] - [ 0.0000992400000000, -0.0001086100000000, -0.0001273200000000 ] - [ 0.0000278500000000, -0.0058333500000000, 0.0007313400000000 ] - [ -0.0000752800000000, -0.0055759200000000, 0.0010258600000000 ] - [ 0.0000316900000000, -0.0056411300000000, 0.0007848600000000 ] - [ 0.0000128000000000, -0.0057986800000000, 0.0008333300000000 ] - [ -0.0000016300000000, 0.0057432300000000, 0.0008213900000000 ] - [ 0.0001799600000000, 0.0057483200000000, 0.0007321400000000 ] - [ -0.0000993300000000, 0.0056680200000000, 0.0009044400000000 ] - [ -0.0007855300000000, 0.0066242200000000, -0.0003465100000000 ] - [ 0.0236161400000000, -0.0279122600000000, 0.0069091600000000 ] - [ -0.0002471500000000, -0.0001020000000000, -0.0012218000000000 ] - [ -0.0001380500000000, 0.0000105100000000, -0.0012084300000000 ] - [ -0.0001712100000000, -0.0000660200000000, -0.0012404100000000 ] - [ -0.0000674600000000, 0.0001335600000000, -0.0012657300000000 ] - [ -0.0002224200000000, 0.0000672500000000, -0.0013275800000000 ] - [ -0.0000898700000000, 0.0001446100000000, -0.0012617400000000 ] - [ -0.0001733300000000, 0.0000948500000000, -0.0012920900000000 ] - [ -0.0043671800000000, 0.0064720700000000, -0.0032572600000000 ] - [ -0.0013646500000000, 0.0019268700000000, 0.0003451500000000 ] - [ -0.0010392700000000, 0.0020047300000000, 0.0004089300000000 ] - [ -0.0012208600000000, 0.0019822300000000, 0.0003431400000000 ] - [ -0.0010454800000000, -0.0019699000000000, 0.0004140100000000 ] - [ -0.0013416300000000, -0.0019741400000000, 0.0002314400000000 ] - [ -0.0010767100000000, -0.0019596800000000, 0.0003672600000000 ] - [ -0.0012445000000000, -0.0019450300000000, 0.0002921900000000 ] - [ 0.0001857400000000, -0.0015559000000000, 0.0012650800000000 ] - [ 0.0012602000000000, -0.0036939400000000, 0.0028971800000000 ] - [ 0.0003256200000000, -0.0014792900000000, 0.0012076500000000 ] - [ 0.0004512900000000, -0.0013647500000000, 0.0012377800000000 ] - [ 0.0002852700000000, 0.0014668700000000, 0.0011790800000000 ] - [ 0.0006661400000000, 0.0013413200000000, 0.0011699200000000 ] - [ 0.0003396800000000, 0.0014810400000000, 0.0011920900000000 ] - [ 0.0004568600000000, 0.0014733000000000, 0.0011497400000000 ] - [ -0.0013523600000000, 0.0018343300000000, 0.0002906700000000 ] - [ -0.0005372800000000, 0.0017511000000000, 0.0007794500000000 ] - [ -0.0011084900000000, 0.0017823800000000, 0.0005850800000000 ] - [ -0.0006615700000000, 0.0018820500000000, 0.0007399100000000 ] - [ -0.0021887200000000, -0.0005304500000000, 0.0007030000000000 ] - [ -0.0002069300000000, -0.0017229000000000, 0.0005994300000000 ] - [ -0.0009943300000000, -0.0020799900000000, 0.0007266000000000 ] - [ -0.0007083600000000, -0.0018834000000000, 0.0006854600000000 ]- atom: 57 displacement: [ -0.0000000001462832, 0.0100000000000000, 0.0000000001023983 ] forces: - [ 0.0001225100000000, 0.0000011600000000, -0.0007309200000000 ] - [ -0.0009192800000000, 0.0000464400000000, -0.0008741800000000 ] - [ -0.0010099500000000, 0.0004789000000000, -0.0014606600000000 ] - [ 0.0001592800000000, 0.0000364200000000, -0.0014089100000000 ] - [ -0.0243579200000000, 0.0791430400000000, -0.0157379900000000 ] - [ 0.0006666000000000, 0.0003854000000000, 0.0004968700000000 ] - [ 0.0003247000000000, -0.0014965600000000, 0.0007902500000000 ] - [ 0.0005892300000000, -0.0005013900000000, 0.0008736500000000 ] - [ 0.0001810100000000, 0.0003048200000000, 0.0011121800000000 ] - [ 0.0004916700000000, 0.0003121600000000, 0.0010204700000000 ] - [ 0.0004730800000000, -0.0001982700000000, 0.0008584700000000 ] - [ 0.0006754500000000, -0.0000101300000000, 0.0008935100000000 ] - [ -0.0016394800000000, 0.0009625900000000, -0.0006662800000000 ] - [ 0.0018089700000000, 0.0014480100000000, -0.0002009300000000 ] - [ 0.0000514700000000, -0.0010116200000000, -0.0015932500000000 ] - [ -0.0005036900000000, -0.0008695100000000, -0.0012283800000000 ] - [ -0.0004474800000000, -0.0002691100000000, -0.0001598000000000 ] - [ -0.0002081400000000, -0.0004455600000000, -0.0002318100000000 ] - [ 0.0013381000000000, -0.0006112200000000, -0.0008234000000000 ] - [ -0.0013365100000000, -0.0005454100000000, -0.0006338200000000 ] - [ -0.0001812000000000, 0.0004933100000000, -0.0002595700000000 ] - [ -0.0003605800000000, 0.0005690300000000, -0.0002625300000000 ] - [ -0.0002874100000000, 0.0007510500000000, -0.0005453300000000 ] - [ -0.0001503100000000, 0.0007377300000000, -0.0005451400000000 ] - [ 0.0003592200000000, -0.0012609600000000, -0.0001521100000000 ] - [ 0.0009923300000000, -0.0012347200000000, -0.0003296100000000 ] - [ 0.0007306600000000, -0.0012997900000000, -0.0000372200000000 ] - [ 0.0004950900000000, -0.0012230300000000, 0.0000010200000000 ] - [ 0.0006512700000000, 0.0007985700000000, -0.0000076200000000 ] - [ 0.0021394500000000, 0.0004371200000000, 0.0006769100000000 ] - [ 0.0004538900000000, 0.0016583800000000, -0.0000492300000000 ] - [ 0.0005243600000000, 0.0016906400000000, -0.0000998400000000 ] - [ 0.0005621400000000, 0.0058618600000000, -0.0011071700000000 ] - [ 0.0011927300000000, 0.0056619200000000, -0.0008144000000000 ] - [ 0.0015689100000000, 0.0056734800000000, -0.0004552500000000 ] - [ 0.0008554900000000, 0.0057260100000000, -0.0008430100000000 ] - [ 0.0020305800000000, -0.0060300400000000, -0.0014498600000000 ] - [ 0.0006255500000000, -0.0059578400000000, -0.0009600700000000 ] - [ 0.0011321100000000, -0.0053642100000000, -0.0008093000000000 ] - [ 0.0011302800000000, -0.0055613100000000, -0.0008010200000000 ] - [ 0.0000711500000000, 0.0000385200000000, -0.0005725300000000 ] - [ 0.0001189000000000, 0.0000764700000000, -0.0002204500000000 ] - [ 0.0001863700000000, 0.0003090600000000, -0.0000744800000000 ] - [ 0.0001409100000000, 0.0002300300000000, -0.0001313700000000 ] - [ -0.0030691100000000, 0.0095596100000000, 0.0063391500000000 ] - [ 0.0001406500000000, -0.0002703200000000, -0.0000511100000000 ] - [ 0.0000138000000000, 0.0004495900000000, -0.0001614500000000 ] - [ 0.0000987200000000, 0.0000077900000000, -0.0001496600000000 ] - [ 0.0001613400000000, -0.0058105400000000, 0.0007469300000000 ] - [ -0.0002577000000000, -0.0054446200000000, 0.0009980500000000 ] - [ -0.0000677200000000, -0.0056253900000000, 0.0007802600000000 ] - [ 0.0005575300000000, -0.0053046300000000, 0.0005172700000000 ] - [ -0.0000655000000000, 0.0058348200000000, 0.0008313700000000 ] - [ 0.0002130600000000, 0.0059650000000000, 0.0006816900000000 ] - [ 0.0003756300000000, 0.0055178500000000, 0.0006650000000000 ] - [ -0.0014616000000000, 0.0059783200000000, -0.0005672100000000 ] - [ 0.0269759200000000, -0.1055804300000000, 0.0055100200000000 ] - [ -0.0001401800000000, -0.0003962900000000, -0.0011548600000000 ] - [ -0.0002523500000000, 0.0004596400000000, -0.0012158800000000 ] - [ -0.0001761000000000, 0.0000824000000000, -0.0012585300000000 ] - [ -0.0001099400000000, 0.0000668800000000, -0.0013526700000000 ] - [ -0.0001760600000000, 0.0000438900000000, -0.0013375100000000 ] - [ -0.0000992300000000, 0.0002664300000000, -0.0012272300000000 ] - [ -0.0001483300000000, 0.0001553500000000, -0.0012566800000000 ] - [ -0.0042711700000000, 0.0034812400000000, -0.0021545000000000 ] - [ -0.0011469800000000, 0.0018461900000000, 0.0004415400000000 ] - [ -0.0010246600000000, 0.0022090000000000, 0.0004214700000000 ] - [ -0.0011705100000000, 0.0020555400000000, 0.0003505800000000 ] - [ -0.0011458600000000, -0.0020641800000000, 0.0004613600000000 ] - [ -0.0011410600000000, -0.0020123600000000, 0.0003015600000000 ] - [ -0.0011089500000000, -0.0018618700000000, 0.0003348300000000 ] - [ -0.0012340200000000, -0.0019141100000000, 0.0002987300000000 ] - [ 0.0002395800000000, -0.0016082400000000, 0.0013172500000000 ] - [ 0.0019807800000000, 0.0046364100000000, -0.0041743600000000 ] - [ 0.0004104900000000, -0.0013936300000000, 0.0011572500000000 ] - [ 0.0005247700000000, -0.0010302600000000, 0.0012316900000000 ] - [ 0.0004174000000000, 0.0013460700000000, 0.0010667900000000 ] - [ 0.0006860400000000, 0.0011302800000000, 0.0011429800000000 ] - [ 0.0003275800000000, 0.0015439000000000, 0.0012329200000000 ] - [ 0.0003680200000000, 0.0016093600000000, 0.0012216500000000 ] - [ -0.0006600100000000, 0.0010509700000000, 0.0028697300000000 ] - [ -0.0006725800000000, 0.0018521000000000, 0.0007773700000000 ] - [ -0.0008961000000000, 0.0013597400000000, 0.0001516200000000 ] - [ -0.0007930700000000, 0.0017583200000000, 0.0006512400000000 ] - [ -0.0013286400000000, 0.0063450200000000, 0.0110048400000000 ] - [ -0.0006293200000000, -0.0013200400000000, 0.0006293300000000 ] - [ -0.0008958900000000, -0.0027732900000000, 0.0007667100000000 ] - [ -0.0007901700000000, -0.0021429500000000, 0.0007146000000000 ]- atom: 57 displacement: [ 0.0000000001462832, -0.0100000000000000, -0.0000000001023983 ] forces: - [ -0.0008540400000000, 0.0005787000000000, -0.0016109700000000 ] - [ 0.0001905500000000, 0.0005348000000000, -0.0014685900000000 ] - [ 0.0002704000000000, 0.0001059600000000, -0.0008868200000000 ] - [ -0.0008845800000000, 0.0005454700000000, -0.0009370800000000 ] - [ 0.0268421200000000, -0.0829642500000000, 0.0185605500000000 ] - [ 0.0003577200000000, -0.0006510900000000, 0.0011967900000000 ] - [ 0.0006975100000000, 0.0012173300000000, 0.0009019200000000 ] - [ 0.0004378300000000, 0.0002328900000000, 0.0008200300000000 ] - [ 0.0008507300000000, -0.0000409100000000, 0.0005747500000000 ] - [ 0.0005341400000000, -0.0000446400000000, 0.0006682300000000 ] - [ 0.0005540000000000, 0.0004680800000000, 0.0008302900000000 ] - [ 0.0003518000000000, 0.0002788500000000, 0.0007964300000000 ] - [ 0.0009217400000000, -0.0015358800000000, -0.0016595600000000 ] - [ -0.0025500000000000, -0.0019974900000000, -0.0021304900000000 ] - [ -0.0007854800000000, 0.0004288600000000, -0.0007487600000000 ] - [ -0.0002263800000000, 0.0002843000000000, -0.0011128800000000 ] - [ -0.0000448900000000, -0.0009577300000000, -0.0005956500000000 ] - [ -0.0002843600000000, -0.0007811800000000, -0.0005241700000000 ] - [ -0.0018213600000000, -0.0006254500000000, 0.0000592100000000 ] - [ 0.0008361200000000, -0.0006893200000000, -0.0001294300000000 ] - [ -0.0003104700000000, 0.0007346100000000, -0.0004930600000000 ] - [ -0.0001329200000000, 0.0006592600000000, -0.0004904600000000 ] - [ -0.0002048800000000, 0.0004790000000000, -0.0002105600000000 ] - [ -0.0003422000000000, 0.0004920300000000, -0.0002103000000000 ] - [ 0.0007921200000000, -0.0014765500000000, 0.0000071300000000 ] - [ 0.0001576900000000, -0.0015032700000000, 0.0001860700000000 ] - [ 0.0004226100000000, -0.0014386200000000, -0.0001067700000000 ] - [ 0.0006549000000000, -0.0015164500000000, -0.0001446600000000 ] - [ 0.0004976100000000, 0.0019403700000000, -0.0001378800000000 ] - [ -0.0009660800000000, 0.0023035700000000, -0.0008187700000000 ] - [ 0.0006980900000000, 0.0010823600000000, -0.0000956500000000 ] - [ 0.0006257900000000, 0.0010511900000000, -0.0000452400000000 ] - [ 0.0015303200000000, 0.0054615200000000, -0.0005534400000000 ] - [ 0.0008979500000000, 0.0056611700000000, -0.0008463200000000 ] - [ 0.0005291000000000, 0.0056495400000000, -0.0011995700000000 ] - [ 0.0012349600000000, 0.0055966800000000, -0.0008172700000000 ] - [ 0.0000366000000000, -0.0053032500000000, -0.0002021200000000 ] - [ 0.0014697400000000, -0.0053660800000000, -0.0007002300000000 ] - [ 0.0009609600000000, -0.0059562700000000, -0.0008512100000000 ] - [ 0.0009611400000000, -0.0057596000000000, -0.0008597200000000 ] - [ 0.0002141000000000, 0.0002684100000000, 0.0003083000000000 ] - [ 0.0001666100000000, 0.0002296000000000, -0.0000450100000000 ] - [ 0.0000991800000000, -0.0000028700000000, -0.0001895800000000 ] - [ 0.0001447900000000, 0.0000760400000000, -0.0001343300000000 ] - [ 0.0034167900000000, -0.0100086700000000, -0.0067219700000000 ] - [ 0.0001461200000000, -0.0000358800000000, -0.0002180100000000 ] - [ 0.0002703800000000, -0.0007478500000000, -0.0001099000000000 ] - [ 0.0001869400000000, -0.0003133800000000, -0.0001191100000000 ] - [ 0.0000122200000000, -0.0056153200000000, 0.0007928100000000 ] - [ 0.0004263400000000, -0.0059786500000000, 0.0005436600000000 ] - [ 0.0002404100000000, -0.0057985800000000, 0.0007595800000000 ] - [ -0.0003868100000000, -0.0061212100000000, 0.0010234400000000 ] - [ 0.0002389800000000, 0.0055923200000000, 0.0007074200000000 ] - [ -0.0000407200000000, 0.0054626700000000, 0.0008571300000000 ] - [ -0.0002047000000000, 0.0059075400000000, 0.0008724300000000 ] - [ 0.0016441800000000, 0.0054291300000000, 0.0021026000000000 ] - [ -0.0287516100000000, 0.1090420200000000, -0.0089666100000000 ] - [ -0.0001275000000000, 0.0001831800000000, -0.0013419400000000 ] - [ -0.0000161100000000, -0.0006680000000000, -0.0012806100000000 ] - [ -0.0000919200000000, -0.0002933600000000, -0.0012379300000000 ] - [ -0.0001575900000000, 0.0001492300000000, -0.0011413700000000 ] - [ -0.0000911200000000, 0.0001716300000000, -0.0011570000000000 ] - [ -0.0001684900000000, -0.0000523400000000, -0.0012659100000000 ] - [ -0.0001190300000000, 0.0000587500000000, -0.0012378200000000 ] - [ 0.0019980800000000, 0.0004493100000000, 0.0028594200000000 ] - [ -0.0011321900000000, 0.0020736800000000, 0.0002586200000000 ] - [ -0.0012535300000000, 0.0017128700000000, 0.0002800000000000 ] - [ -0.0011100100000000, 0.0018646100000000, 0.0003496100000000 ] - [ -0.0011366400000000, -0.0018537700000000, 0.0002385700000000 ] - [ -0.0011390800000000, -0.0019064500000000, 0.0003991700000000 ] - [ -0.0011722900000000, -0.0020577800000000, 0.0003653400000000 ] - [ -0.0010472100000000, -0.0020049500000000, 0.0004013400000000 ] - [ 0.0005523300000000, -0.0013097800000000, 0.0010451700000000 ] - [ -0.0012070600000000, -0.0076226800000000, 0.0065970100000000 ] - [ 0.0003815300000000, -0.0015246500000000, 0.0012059100000000 ] - [ 0.0002670900000000, -0.0018809400000000, 0.0011352400000000 ] - [ 0.0003748000000000, 0.0015735000000000, 0.0012968100000000 ] - [ 0.0001021300000000, 0.0017906600000000, 0.0012200200000000 ] - [ 0.0004644200000000, 0.0013754800000000, 0.0011299600000000 ] - [ 0.0004236300000000, 0.0013095700000000, 0.0011404200000000 ] - [ -0.0010921500000000, 0.0025808600000000, -0.0015030700000000 ] - [ -0.0010755100000000, 0.0017790600000000, 0.0005949200000000 ] - [ -0.0008505800000000, 0.0022708300000000, 0.0012094600000000 ] - [ -0.0009560900000000, 0.0018749100000000, 0.0007200700000000 ] - [ -0.0004223700000000, -0.0099376400000000, -0.0097701700000000 ] - [ -0.0011201400000000, -0.0023127300000000, 0.0007435900000000 ] - [ -0.0008484200000000, -0.0008653600000000, 0.0006100000000000 ] - [ -0.0009587600000000, -0.0014915500000000, 0.0006585400000000 ]- atom: 57 displacement: [ -0.0004071772244389, 0.0000000000853433, 0.0099917068966167 ] forces: - [ -0.0007604600000000, 0.0005909100000000, -0.0016758400000000 ] - [ 0.0001240100000000, 0.0004563700000000, -0.0015092600000000 ] - [ -0.0011675300000000, 0.0003520300000000, -0.0019922400000000 ] - [ 0.0004666900000000, 0.0000686300000000, -0.0018069500000000 ] - [ 0.0039479400000000, -0.0077664800000000, 0.0146325200000000 ] - [ 0.0003945200000000, -0.0003832500000000, 0.0016688400000000 ] - [ 0.0004647400000000, -0.0002710400000000, 0.0013023500000000 ] - [ 0.0004772300000000, -0.0001123900000000, 0.0011014000000000 ] - [ 0.0007917200000000, -0.0001579600000000, -0.0006963200000000 ] - [ 0.0003835900000000, -0.0000274500000000, 0.0003348100000000 ] - [ 0.0004890500000000, 0.0002501500000000, 0.0002895100000000 ] - [ 0.0003636500000000, 0.0001437900000000, 0.0005295300000000 ] - [ 0.0017055500000000, -0.0000874500000000, 0.0010728800000000 ] - [ -0.0022260500000000, 0.0008247000000000, 0.0001127900000000 ] - [ -0.0001976000000000, -0.0003996800000000, -0.0010528300000000 ] - [ -0.0005802700000000, -0.0002766000000000, -0.0009146600000000 ] - [ -0.0003982700000000, -0.0004891700000000, -0.0005338100000000 ] - [ -0.0002068000000000, -0.0006530300000000, -0.0005714000000000 ] - [ -0.0005762500000000, -0.0010058900000000, -0.0013162800000000 ] - [ 0.0000060200000000, -0.0009729800000000, -0.0010692000000000 ] - [ -0.0001721700000000, 0.0004690300000000, 0.0000489600000000 ] - [ -0.0004088000000000, 0.0005132400000000, 0.0000300400000000 ] - [ -0.0002199800000000, 0.0005147600000000, -0.0001659800000000 ] - [ -0.0003288800000000, 0.0005315900000000, -0.0001852800000000 ] - [ 0.0007598800000000, -0.0014862800000000, 0.0000279500000000 ] - [ 0.0002865600000000, -0.0014734200000000, 0.0001163600000000 ] - [ 0.0007852000000000, -0.0012266100000000, 0.0000337800000000 ] - [ 0.0004823400000000, -0.0011726200000000, 0.0000641700000000 ] - [ 0.0002647300000000, 0.0015669700000000, -0.0002513100000000 ] - [ 0.0050659500000000, 0.0023827200000000, 0.0005394200000000 ] - [ 0.0005586800000000, 0.0013760700000000, -0.0000901100000000 ] - [ 0.0005943300000000, 0.0013454800000000, -0.0001007900000000 ] - [ 0.0014158300000000, 0.0054715300000000, -0.0005416500000000 ] - [ 0.0009198400000000, 0.0056648300000000, -0.0008214000000000 ] - [ 0.0016566900000000, 0.0059171000000000, 0.0000318300000000 ] - [ 0.0008810800000000, 0.0057037500000000, -0.0007990100000000 ] - [ -0.0033102000000000, -0.0070042100000000, 0.0011677000000000 ] - [ 0.0017264300000000, -0.0056696300000000, -0.0007420900000000 ] - [ 0.0009975000000000, -0.0055797300000000, -0.0008804700000000 ] - [ 0.0010864900000000, -0.0056591700000000, -0.0008645800000000 ] - [ 0.0001470000000000, 0.0000794700000000, 0.0006518300000000 ] - [ 0.0001767200000000, 0.0001698000000000, 0.0000801100000000 ] - [ 0.0001268300000000, 0.0001262000000000, 0.0001257400000000 ] - [ 0.0001636000000000, 0.0001296100000000, -0.0000093500000000 ] - [ -0.0026978400000000, 0.0086997700000000, -0.0020697200000000 ] - [ 0.0002472600000000, -0.0001223600000000, -0.0004374700000000 ] - [ 0.0001392200000000, -0.0001925300000000, -0.0003406800000000 ] - [ 0.0001565400000000, -0.0002083300000000, -0.0002278600000000 ] - [ 0.0002482400000000, -0.0056313000000000, 0.0008553000000000 ] - [ -0.0006139800000000, -0.0052364700000000, 0.0015062100000000 ] - [ 0.0002189300000000, -0.0057812600000000, 0.0007782400000000 ] - [ -0.0003031300000000, -0.0059920800000000, 0.0010373300000000 ] - [ 0.0000560300000000, 0.0057336000000000, 0.0007523500000000 ] - [ 0.0001482800000000, 0.0058068000000000, 0.0006742200000000 ] - [ -0.0003320400000000, 0.0056919800000000, 0.0006124000000000 ] - [ 0.0033068100000000, 0.0035762200000000, 0.0025490000000000 ] - [ -0.0073208500000000, 0.0061510000000000, -0.0364831100000000 ] - [ -0.0001638100000000, -0.0000125500000000, -0.0015480900000000 ] - [ -0.0001725000000000, -0.0000681700000000, -0.0014230900000000 ] - [ -0.0001418600000000, -0.0001141700000000, -0.0013372100000000 ] - [ -0.0001114700000000, 0.0002142600000000, -0.0008466500000000 ] - [ -0.0000560700000000, 0.0001954100000000, -0.0010582300000000 ] - [ -0.0001162000000000, 0.0000895400000000, -0.0008448500000000 ] - [ -0.0000895400000000, 0.0001159800000000, -0.0010813000000000 ] - [ 0.0033867800000000, -0.0023191500000000, 0.0011757800000000 ] - [ -0.0012263100000000, 0.0020143400000000, 0.0000897800000000 ] - [ -0.0011674000000000, 0.0019942200000000, 0.0002330800000000 ] - [ -0.0011730500000000, 0.0019454500000000, 0.0002725300000000 ] - [ -0.0010832200000000, -0.0018572500000000, 0.0007362000000000 ] - [ -0.0009826100000000, -0.0019205700000000, 0.0005413100000000 ] - [ -0.0010721100000000, -0.0020475000000000, 0.0005182600000000 ] - [ -0.0010117300000000, -0.0019822300000000, 0.0004859400000000 ] - [ 0.0005411300000000, -0.0013316600000000, 0.0009907400000000 ] - [ -0.0010422900000000, -0.0074984700000000, 0.0035446800000000 ] - [ 0.0004372400000000, -0.0014044600000000, 0.0010745800000000 ] - [ 0.0004437900000000, -0.0012692100000000, 0.0009798700000000 ] - [ 0.0003734700000000, 0.0015905900000000, 0.0013886000000000 ] - [ 0.0000190100000000, 0.0016180400000000, 0.0013816400000000 ] - [ 0.0004171400000000, 0.0014622100000000, 0.0012377700000000 ] - [ 0.0003474600000000, 0.0014620700000000, 0.0012894700000000 ] - [ -0.0009739500000000, 0.0025483400000000, -0.0012870300000000 ] - [ -0.0010763100000000, 0.0018155800000000, 0.0005308100000000 ] - [ -0.0006816600000000, 0.0011884900000000, 0.0001301900000000 ] - [ -0.0010119800000000, 0.0016841500000000, 0.0005860400000000 ] - [ -0.0002857600000000, 0.0024035400000000, 0.0152549800000000 ] - [ -0.0010235300000000, -0.0020727900000000, 0.0008232800000000 ] - [ -0.0008336700000000, -0.0019160700000000, 0.0008566400000000 ] - [ -0.0008796300000000, -0.0017966900000000, 0.0007263700000000 ]- atom: 57 displacement: [ 0.0004071772244389, -0.0000000000853433, -0.0099917068966167 ] forces: - [ 0.0000312200000000, -0.0000128000000000, -0.0006628100000000 ] - [ -0.0008577000000000, 0.0001219600000000, -0.0008302400000000 ] - [ 0.0004326200000000, 0.0002299900000000, -0.0003471400000000 ] - [ -0.0011959400000000, 0.0005106200000000, -0.0005332400000000 ] - [ -0.0029253000000000, 0.0075101200000000, -0.0130498300000000 ] - [ 0.0006343200000000, 0.0001172600000000, 0.0000217100000000 ] - [ 0.0005621500000000, -0.0000005900000000, 0.0003889000000000 ] - [ 0.0005508200000000, -0.0001564000000000, 0.0005910600000000 ] - [ 0.0002439100000000, 0.0004223400000000, 0.0023845000000000 ] - [ 0.0006448300000000, 0.0002955700000000, 0.0013572800000000 ] - [ 0.0005403400000000, 0.0000152600000000, 0.0014029300000000 ] - [ 0.0006664600000000, 0.0001230100000000, 0.0011626500000000 ] - [ -0.0024453300000000, -0.0004885800000000, -0.0034338700000000 ] - [ 0.0014982600000000, -0.0013971200000000, -0.0024573700000000 ] - [ -0.0005328400000000, -0.0001828200000000, -0.0012875800000000 ] - [ -0.0001527700000000, -0.0003057300000000, -0.0014240300000000 ] - [ -0.0000951500000000, -0.0007439400000000, -0.0002306700000000 ] - [ -0.0002858000000000, -0.0005805500000000, -0.0001932800000000 ] - [ 0.0000762100000000, -0.0002320200000000, 0.0005580800000000 ] - [ -0.0005010800000000, -0.0002619500000000, 0.0003058200000000 ] - [ -0.0003205100000000, 0.0007645900000000, -0.0008138000000000 ] - [ -0.0000848700000000, 0.0007204000000000, -0.0007935000000000 ] - [ -0.0002733300000000, 0.0007200800000000, -0.0005991400000000 ] - [ -0.0001635800000000, 0.0007031100000000, -0.0005797300000000 ] - [ 0.0003877700000000, -0.0012584600000000, -0.0001741200000000 ] - [ 0.0008643500000000, -0.0012712300000000, -0.0002627100000000 ] - [ 0.0003651800000000, -0.0015184900000000, -0.0001791900000000 ] - [ 0.0006663400000000, -0.0015723300000000, -0.0002095200000000 ] - [ 0.0008837000000000, 0.0011763800000000, 0.0001078200000000 ] - [ -0.0039598000000000, 0.0003445400000000, -0.0006783800000000 ] - [ 0.0005896000000000, 0.0013712600000000, -0.0000555400000000 ] - [ 0.0005547400000000, 0.0014021800000000, -0.0000453400000000 ] - [ 0.0006788800000000, 0.0058486000000000, -0.0011172500000000 ] - [ 0.0011771900000000, 0.0056541300000000, -0.0008361100000000 ] - [ 0.0004516900000000, 0.0054081100000000, -0.0016742700000000 ] - [ 0.0012145300000000, 0.0056153700000000, -0.0008585700000000 ] - [ 0.0054764800000000, -0.0042904000000000, -0.0028693100000000 ] - [ 0.0003675900000000, -0.0056505200000000, -0.0009160600000000 ] - [ 0.0010994600000000, -0.0057376700000000, -0.0007769900000000 ] - [ 0.0010105900000000, -0.0056591700000000, -0.0007930400000000 ] - [ 0.0001371100000000, 0.0002283000000000, -0.0009145800000000 ] - [ 0.0001083600000000, 0.0001376400000000, -0.0003428300000000 ] - [ 0.0001584400000000, 0.0001824100000000, -0.0003883700000000 ] - [ 0.0001217600000000, 0.0001785700000000, -0.0002534100000000 ] - [ 0.0030055300000000, -0.0090592300000000, 0.0018652500000000 ] - [ 0.0000373500000000, -0.0001864100000000, 0.0001737900000000 ] - [ 0.0001459400000000, -0.0001127800000000, 0.0000762500000000 ] - [ 0.0001287700000000, -0.0000994500000000, -0.0000364900000000 ] - [ -0.0000783900000000, -0.0057970000000000, 0.0006877200000000 ] - [ 0.0007708500000000, -0.0061861800000000, 0.0000531100000000 ] - [ -0.0000501200000000, -0.0056454600000000, 0.0007656500000000 ] - [ 0.0004744100000000, -0.0054338400000000, 0.0005057900000000 ] - [ 0.0001132500000000, 0.0056946200000000, 0.0007908200000000 ] - [ 0.0000227400000000, 0.0056221200000000, 0.0008680800000000 ] - [ 0.0005054500000000, 0.0057346500000000, 0.0009323900000000 ] - [ -0.0031819100000000, 0.0078868000000000, -0.0010374400000000 ] - [ 0.0071628800000000, -0.0060262900000000, 0.0350452500000000 ] - [ -0.0001017700000000, -0.0002029900000000, -0.0009448800000000 ] - [ -0.0000929700000000, -0.0001449300000000, -0.0010702900000000 ] - [ -0.0001236700000000, -0.0000998500000000, -0.0011566300000000 ] - [ -0.0001538100000000, 0.0000035100000000, -0.0016452200000000 ] - [ -0.0002090600000000, 0.0000211200000000, -0.0014349700000000 ] - [ -0.0001488000000000, 0.0001278400000000, -0.0016485400000000 ] - [ -0.0001754800000000, 0.0001005800000000, -0.0014119100000000 ] - [ -0.0056579100000000, 0.0062326000000000, -0.0004989200000000 ] - [ -0.0010609200000000, 0.0019050500000000, 0.0006105400000000 ] - [ -0.0011197500000000, 0.0019261500000000, 0.0004666900000000 ] - [ -0.0011142800000000, 0.0019744900000000, 0.0004272100000000 ] - [ -0.0012075000000000, -0.0020627600000000, -0.0000372500000000 ] - [ -0.0013062100000000, -0.0019992100000000, 0.0001569100000000 ] - [ -0.0012173400000000, -0.0018710900000000, 0.0001797500000000 ] - [ -0.0012778400000000, -0.0019370200000000, 0.0002120100000000 ] - [ 0.0002537500000000, -0.0015852500000000, 0.0013699900000000 ] - [ 0.0018303300000000, 0.0045655000000000, -0.0012060600000000 ] - [ 0.0003585300000000, -0.0015118100000000, 0.0012855800000000 ] - [ 0.0003523700000000, -0.0016465600000000, 0.0013805800000000 ] - [ 0.0004225500000000, 0.0013251800000000, 0.0009704400000000 ] - [ 0.0007768200000000, 0.0013091900000000, 0.0010008100000000 ] - [ 0.0003781700000000, 0.0014548700000000, 0.0011223400000000 ] - [ 0.0004482400000000, 0.0014551600000000, 0.0010704100000000 ] - [ -0.0007736600000000, 0.0010809000000000, 0.0026660200000000 ] - [ -0.0006696900000000, 0.0018167200000000, 0.0008423100000000 ] - [ -0.0010654800000000, 0.0024424100000000, 0.0012431100000000 ] - [ -0.0007349100000000, 0.0019487100000000, 0.0007875000000000 ] - [ -0.0015672900000000, -0.0063806600000000, -0.0148402200000000 ] - [ -0.0007203100000000, -0.0015587800000000, 0.0005497900000000 ] - [ -0.0009132000000000, -0.0017223900000000, 0.0005168700000000 ] - [ -0.0008665600000000, -0.0018392700000000, 0.0006468600000000 ]- atom: 65 displacement: [ 0.0099999999133341, -0.0000000001139357, 0.0000013165557043 ] forces: - [ 0.0003777900000000, 0.0017781600000000, -0.0013770300000000 ] - [ -0.0012114700000000, -0.0000829500000000, -0.0010774700000000 ] - [ 0.0000383900000000, -0.0006002200000000, -0.0017514700000000 ] - [ -0.0009093200000000, 0.0004425100000000, -0.0011571000000000 ] - [ 0.1020854800000000, -0.0003530200000000, 0.0596906500000000 ] - [ -0.0009899600000000, -0.0005643900000000, 0.0011361200000000 ] - [ 0.0009839100000000, -0.0002250300000000, 0.0010945000000000 ] - [ 0.0001189400000000, -0.0001384400000000, 0.0008955200000000 ] - [ 0.0010001100000000, -0.0000563900000000, 0.0006018900000000 ] - [ 0.0000055300000000, 0.0001298300000000, 0.0005471500000000 ] - [ 0.0007592200000000, 0.0001512200000000, 0.0007522400000000 ] - [ 0.0002553700000000, 0.0000216600000000, 0.0007064000000000 ] - [ 0.0005196000000000, -0.0008349500000000, 0.0000245400000000 ] - [ -0.0013586000000000, 0.0001730000000000, -0.0015198000000000 ] - [ -0.0001516200000000, -0.0000819300000000, -0.0004468500000000 ] - [ -0.0006216700000000, -0.0005092800000000, -0.0015054900000000 ] - [ -0.0002976900000000, -0.0008021300000000, -0.0008737600000000 ] - [ -0.0001713600000000, -0.0004605200000000, -0.0001719100000000 ] - [ -0.0004162200000000, -0.0003232900000000, -0.0009071800000000 ] - [ 0.0000411400000000, -0.0007470000000000, -0.0003887400000000 ] - [ -0.0003457300000000, 0.0006954900000000, -0.0001512800000000 ] - [ -0.0001443800000000, 0.0005912600000000, -0.0003896600000000 ] - [ -0.0004048700000000, 0.0003904500000000, -0.0002336200000000 ] - [ -0.0001027000000000, 0.0007060100000000, -0.0004775300000000 ] - [ 0.0011943300000000, -0.0023947300000000, 0.0008262600000000 ] - [ 0.0009950300000000, -0.0011345900000000, -0.0003271800000000 ] - [ 0.0004808300000000, -0.0011721900000000, 0.0000088300000000 ] - [ 0.0006574400000000, -0.0014556200000000, -0.0001138700000000 ] - [ 0.0008949200000000, 0.0017854200000000, -0.0006108400000000 ] - [ 0.0010907800000000, 0.0011580100000000, 0.0000514100000000 ] - [ 0.0006198000000000, 0.0012475100000000, -0.0001592000000000 ] - [ 0.0005988700000000, 0.0014371400000000, -0.0000473600000000 ] - [ -0.0001043800000000, 0.0058791500000000, -0.0010786500000000 ] - [ 0.0015654800000000, 0.0055860500000000, -0.0007039300000000 ] - [ 0.0003871400000000, 0.0058067100000000, -0.0008940300000000 ] - [ 0.0014244400000000, 0.0055932800000000, -0.0007502300000000 ] - [ 0.0001309600000000, -0.0058849000000000, -0.0009296900000000 ] - [ 0.0015256100000000, -0.0056283900000000, -0.0006846000000000 ] - [ 0.0007307700000000, -0.0056975900000000, -0.0010020000000000 ] - [ 0.0012972800000000, -0.0056021400000000, -0.0007182500000000 ] - [ 0.0000896600000000, -0.0000110800000000, -0.0007060200000000 ] - [ 0.0003208900000000, 0.0001968300000000, 0.0000505400000000 ] - [ 0.0000877500000000, 0.0001775100000000, -0.0000805000000000 ] - [ 0.0001922800000000, 0.0001693200000000, -0.0000901200000000 ] - [ 0.0007645600000000, 0.0001464500000000, 0.0032285700000000 ] - [ 0.0003609500000000, -0.0001857100000000, -0.0002392200000000 ] - [ 0.0000917200000000, -0.0001510500000000, -0.0001517700000000 ] - [ 0.0002059800000000, -0.0001819600000000, -0.0001570700000000 ] - [ 0.0003398800000000, -0.0051109800000000, 0.0010221900000000 ] - [ 0.0001613400000000, -0.0059164000000000, 0.0006437900000000 ] - [ 0.0000749700000000, -0.0059917100000000, 0.0007510300000000 ] - [ 0.0004262300000000, -0.0054195600000000, 0.0005479500000000 ] - [ 0.0001511300000000, 0.0056686500000000, 0.0006847700000000 ] - [ 0.0001060200000000, 0.0058240400000000, 0.0007735600000000 ] - [ 0.0000942900000000, 0.0058941500000000, 0.0006160900000000 ] - [ 0.0004029300000000, 0.0055027600000000, 0.0010144400000000 ] - [ 0.0030928600000000, -0.0032263200000000, 0.0033905500000000 ] - [ 0.0000831600000000, -0.0001129200000000, -0.0013265900000000 ] - [ -0.0002413800000000, 0.0000087100000000, -0.0012792500000000 ] - [ -0.0000605100000000, -0.0001363400000000, -0.0012781900000000 ] - [ -0.0002354500000000, 0.0001131100000000, -0.0011937700000000 ] - [ 0.0000595600000000, 0.0001078500000000, -0.0010807100000000 ] - [ -0.0002050200000000, 0.0000749500000000, -0.0011818700000000 ] - [ -0.0000372300000000, 0.0002007500000000, -0.0011132100000000 ] - [ -0.1170708900000000, 0.0024896000000000, -0.0659227400000000 ] - [ -0.0004163300000000, 0.0020659000000000, 0.0005645100000000 ] - [ -0.0013643700000000, 0.0019810200000000, 0.0002331800000000 ] - [ -0.0009815600000000, 0.0019598900000000, 0.0003805300000000 ] - [ -0.0014136800000000, -0.0019225600000000, 0.0004089800000000 ] - [ -0.0008882600000000, -0.0019620100000000, 0.0004643800000000 ] - [ -0.0012438000000000, -0.0019705300000000, 0.0003589700000000 ] - [ -0.0010039700000000, -0.0019445000000000, 0.0004193800000000 ] - [ 0.0017655800000000, -0.0014591400000000, 0.0010375200000000 ] - [ 0.0090125500000000, 0.0023890600000000, 0.0002841900000000 ] - [ 0.0005542800000000, -0.0013574300000000, 0.0010623000000000 ] - [ 0.0002688400000000, -0.0014476800000000, 0.0010689200000000 ] - [ 0.0005519100000000, 0.0014334000000000, 0.0011662800000000 ] - [ 0.0002312000000000, 0.0015709300000000, 0.0015229000000000 ] - [ 0.0004584900000000, 0.0014700700000000, 0.0012047600000000 ] - [ 0.0003069200000000, 0.0014932500000000, 0.0012485000000000 ] - [ 0.0002692900000000, 0.0004721800000000, 0.0033112000000000 ] - [ -0.0018829500000000, 0.0022375700000000, 0.0003584800000000 ] - [ -0.0002723500000000, 0.0018483700000000, 0.0007764400000000 ] - [ -0.0014051700000000, 0.0013820100000000, 0.0005618600000000 ] - [ -0.0009828000000000, -0.0014750400000000, -0.0013821300000000 ] - [ -0.0015562200000000, -0.0020133600000000, 0.0008720800000000 ] - [ -0.0006943700000000, -0.0019013700000000, 0.0005562800000000 ] - [ -0.0011180600000000, -0.0018038300000000, 0.0007112800000000 ]- atom: 65 displacement: [ -0.0099999999133341, 0.0000000001139357, -0.0000013165557043 ] forces: - [ -0.0010873300000000, -0.0011837600000000, -0.0009587700000000 ] - [ 0.0004769300000000, 0.0006643500000000, -0.0012660800000000 ] - [ -0.0007511500000000, 0.0011764300000000, -0.0005902300000000 ] - [ 0.0001737300000000, 0.0001392500000000, -0.0011844000000000 ] - [ -0.1047662700000000, 0.0001058000000000, -0.0610368100000000 ] - [ 0.0020093800000000, 0.0002900200000000, 0.0005652200000000 ] - [ 0.0000434100000000, -0.0000429400000000, 0.0005969900000000 ] - [ 0.0009064100000000, -0.0001293400000000, 0.0007974600000000 ] - [ 0.0000302500000000, 0.0003170800000000, 0.0011005500000000 ] - [ 0.0010205700000000, 0.0001379700000000, 0.0011408700000000 ] - [ 0.0002697700000000, 0.0001172500000000, 0.0009408800000000 ] - [ 0.0007720600000000, 0.0002449600000000, 0.0009839900000000 ] - [ -0.0012428900000000, 0.0002498400000000, -0.0023638000000000 ] - [ 0.0006237300000000, -0.0007530500000000, -0.0008205100000000 ] - [ -0.0005772600000000, -0.0005010300000000, -0.0018942400000000 ] - [ -0.0001128500000000, -0.0000713700000000, -0.0008319600000000 ] - [ -0.0001937000000000, -0.0004283700000000, 0.0001167300000000 ] - [ -0.0003182900000000, -0.0007721700000000, -0.0005879800000000 ] - [ -0.0000776800000000, -0.0009082900000000, 0.0001494400000000 ] - [ -0.0005308300000000, -0.0004849400000000, -0.0003694800000000 ] - [ -0.0001479300000000, 0.0005369000000000, -0.0006062300000000 ] - [ -0.0003452100000000, 0.0006406500000000, -0.0003679200000000 ] - [ -0.0000891400000000, 0.0008394700000000, -0.0005243100000000 ] - [ -0.0003871300000000, 0.0005258600000000, -0.0002794900000000 ] - [ -0.0000408600000000, -0.0003599600000000, -0.0009539300000000 ] - [ 0.0001580100000000, -0.0016045000000000, 0.0001841300000000 ] - [ 0.0006658700000000, -0.0015667100000000, -0.0001521900000000 ] - [ 0.0004951500000000, -0.0012845200000000, -0.0000304500000000 ] - [ 0.0002561200000000, 0.0009574300000000, 0.0004611200000000 ] - [ 0.0000646200000000, 0.0015806500000000, -0.0001959800000000 ] - [ 0.0005305100000000, 0.0014928900000000, 0.0000150200000000 ] - [ 0.0005538200000000, 0.0013024200000000, -0.0000974800000000 ] - [ 0.0021913100000000, 0.0054516700000000, -0.0005906100000000 ] - [ 0.0005302800000000, 0.0057350600000000, -0.0009548100000000 ] - [ 0.0017033600000000, 0.0055100200000000, -0.0007716700000000 ] - [ 0.0006717000000000, 0.0057280700000000, -0.0009085800000000 ] - [ 0.0019578800000000, -0.0054382600000000, -0.0007308600000000 ] - [ 0.0005692000000000, -0.0056931800000000, -0.0009753500000000 ] - [ 0.0013606600000000, -0.0056239400000000, -0.0006584200000000 ] - [ 0.0007960000000000, -0.0057197600000000, -0.0009421400000000 ] - [ 0.0001966300000000, 0.0003243200000000, 0.0004370800000000 ] - [ -0.0000345500000000, 0.0001090600000000, -0.0003138300000000 ] - [ 0.0001976600000000, 0.0001276700000000, -0.0001861700000000 ] - [ 0.0000933400000000, 0.0001365300000000, -0.0001753000000000 ] - [ -0.0004568500000000, -0.0004579600000000, -0.0034895000000000 ] - [ -0.0000746200000000, -0.0001207300000000, -0.0000316500000000 ] - [ 0.0001938100000000, -0.0001553600000000, -0.0001154000000000 ] - [ 0.0000798900000000, -0.0001247100000000, -0.0001109500000000 ] - [ -0.0001668700000000, -0.0063062400000000, 0.0005222100000000 ] - [ 0.0000128400000000, -0.0055095600000000, 0.0008957700000000 ] - [ 0.0000940500000000, -0.0054364200000000, 0.0007893900000000 ] - [ -0.0002529200000000, -0.0060067500000000, 0.0009929300000000 ] - [ 0.0000201400000000, 0.0057571600000000, 0.0008554200000000 ] - [ 0.0000681800000000, 0.0056021900000000, 0.0007653500000000 ] - [ 0.0000767600000000, 0.0055329700000000, 0.0009235100000000 ] - [ -0.0002295100000000, 0.0059229900000000, 0.0005243700000000 ] - [ -0.0033740600000000, 0.0030432200000000, -0.0059198200000000 ] - [ -0.0003505800000000, -0.0000980500000000, -0.0011715500000000 ] - [ -0.0000262200000000, -0.0002206700000000, -0.0012159600000000 ] - [ -0.0002069100000000, -0.0000760300000000, -0.0012181600000000 ] - [ -0.0000307500000000, 0.0001042100000000, -0.0013025200000000 ] - [ -0.0003256600000000, 0.0001060200000000, -0.0014127500000000 ] - [ -0.0000622900000000, 0.0001386100000000, -0.0013137700000000 ] - [ -0.0002293500000000, 0.0000139300000000, -0.0013802800000000 ] - [ 0.1185718100000000, 0.0014517500000000, 0.0696766300000000 ] - [ -0.0018595400000000, 0.0018560000000000, 0.0001347700000000 ] - [ -0.0009163300000000, 0.0019391000000000, 0.0004664700000000 ] - [ -0.0012976000000000, 0.0019599800000000, 0.0003190000000000 ] - [ -0.0008706600000000, -0.0019975200000000, 0.0002875200000000 ] - [ -0.0013920200000000, -0.0019580600000000, 0.0002346600000000 ] - [ -0.0010386800000000, -0.0019496200000000, 0.0003390200000000 ] - [ -0.0012769000000000, -0.0019753400000000, 0.0002792800000000 ] - [ -0.0009396400000000, -0.0014663000000000, 0.0013244000000000 ] - [ -0.0083566900000000, -0.0053660800000000, 0.0020748900000000 ] - [ 0.0002387700000000, -0.0015604500000000, 0.0013000600000000 ] - [ 0.0005235600000000, -0.0014714700000000, 0.0012947200000000 ] - [ 0.0002407000000000, 0.0014851400000000, 0.0011967100000000 ] - [ 0.0005623700000000, 0.0013468800000000, 0.0008376200000000 ] - [ 0.0003336400000000, 0.0014488300000000, 0.0011583500000000 ] - [ 0.0004855700000000, 0.0014249100000000, 0.0011136300000000 ] - [ -0.0020397000000000, 0.0031518700000000, -0.0019435000000000 ] - [ 0.0001293900000000, 0.0014001900000000, 0.0010078800000000 ] - [ -0.0014810800000000, 0.0017862900000000, 0.0005972500000000 ] - [ -0.0003458100000000, 0.0022454100000000, 0.0008091400000000 ] - [ -0.0007694600000000, -0.0021492300000000, 0.0027527300000000 ] - [ -0.0001924100000000, -0.0016226500000000, 0.0005035900000000 ] - [ -0.0010544600000000, -0.0017334700000000, 0.0008166000000000 ] - [ -0.0006292000000000, -0.0018305200000000, 0.0006624100000000 ]- atom: 65 displacement: [ -0.0000000001462832, 0.0100000000000000, 0.0000000001023983 ] forces: - [ 0.0006100000000000, 0.0005359200000000, -0.0005944100000000 ] - [ -0.0006059100000000, 0.0002062700000000, -0.0010310400000000 ] - [ -0.0011025200000000, 0.0002717000000000, -0.0016043500000000 ] - [ -0.0001919300000000, 0.0002096200000000, -0.0012919800000000 ] - [ 0.0004893800000000, 0.0072143100000000, 0.0006729700000000 ] - [ 0.0004224100000000, 0.0000350400000000, 0.0006592200000000 ] - [ 0.0004581100000000, -0.0007086100000000, 0.0009101800000000 ] - [ 0.0004980100000000, -0.0003207900000000, 0.0008969500000000 ] - [ 0.0005205100000000, 0.0002712800000000, 0.0009237500000000 ] - [ 0.0004777700000000, 0.0002486900000000, 0.0009264000000000 ] - [ 0.0005193700000000, -0.0000563900000000, 0.0007827100000000 ] - [ 0.0005501200000000, 0.0000264800000000, 0.0008192700000000 ] - [ -0.0008008200000000, 0.0000664600000000, -0.0003575700000000 ] - [ 0.0000577600000000, -0.0001040300000000, -0.0009932000000000 ] - [ -0.0002414900000000, -0.0006863000000000, -0.0018033900000000 ] - [ -0.0004023300000000, -0.0004430300000000, -0.0012255100000000 ] - [ -0.0003461700000000, -0.0001889200000000, 0.0002196300000000 ] - [ -0.0002358000000000, -0.0005717200000000, -0.0003242700000000 ] - [ 0.0000572800000000, -0.0002349900000000, -0.0009848700000000 ] - [ -0.0004116300000000, -0.0006066500000000, -0.0004169500000000 ] - [ -0.0001834600000000, 0.0005561200000000, -0.0002613400000000 ] - [ -0.0002796200000000, 0.0005973600000000, -0.0003421100000000 ] - [ -0.0003602900000000, 0.0006632300000000, -0.0005886100000000 ] - [ -0.0002044600000000, 0.0006659200000000, -0.0004551700000000 ] - [ 0.0001859000000000, -0.0014592800000000, -0.0004954900000000 ] - [ 0.0006993300000000, -0.0013331500000000, -0.0001606600000000 ] - [ 0.0007398400000000, -0.0012780400000000, -0.0000370500000000 ] - [ 0.0005477600000000, -0.0013262100000000, -0.0000503900000000 ] - [ 0.0007952800000000, 0.0011789700000000, -0.0002250500000000 ] - [ 0.0004226700000000, 0.0010983600000000, -0.0001829500000000 ] - [ 0.0004619700000000, 0.0016095400000000, 0.0000026200000000 ] - [ 0.0005700800000000, 0.0014689500000000, -0.0000703800000000 ] - [ 0.0009946000000000, 0.0071624000000000, -0.0020794400000000 ] - [ 0.0011212000000000, 0.0056480100000000, -0.0008228700000000 ] - [ 0.0008965900000000, 0.0065375500000000, -0.0002209400000000 ] - [ 0.0010090000000000, 0.0056767800000000, -0.0008254900000000 ] - [ 0.0010728000000000, -0.0057536200000000, -0.0010180500000000 ] - [ 0.0009606500000000, -0.0057016000000000, -0.0008605500000000 ] - [ 0.0011577800000000, -0.0055704100000000, -0.0007301700000000 ] - [ 0.0010707400000000, -0.0056306900000000, -0.0008115300000000 ] - [ 0.0001141700000000, 0.0000038500000000, -0.0003541900000000 ] - [ 0.0001411000000000, 0.0001197100000000, -0.0001611000000000 ] - [ 0.0001493400000000, 0.0003025900000000, -0.0000391700000000 ] - [ 0.0001541500000000, 0.0001982200000000, -0.0001167500000000 ] - [ 0.0017028800000000, -0.0020301700000000, 0.0025729000000000 ] - [ 0.0001629900000000, -0.0002139900000000, -0.0000881800000000 ] - [ 0.0001039000000000, 0.0000460000000000, -0.0001323500000000 ] - [ 0.0001264000000000, -0.0000900900000000, -0.0001432900000000 ] - [ 0.0002837600000000, -0.0056628700000000, 0.0007980200000000 ] - [ -0.0000579600000000, -0.0056710700000000, 0.0008371400000000 ] - [ -0.0000879400000000, -0.0057575200000000, 0.0007610700000000 ] - [ 0.0002756100000000, -0.0056361900000000, 0.0007046000000000 ] - [ -0.0000446700000000, 0.0057629700000000, 0.0008820800000000 ] - [ 0.0001216600000000, 0.0057659400000000, 0.0007661300000000 ] - [ 0.0002283700000000, 0.0056535000000000, 0.0006740300000000 ] - [ -0.0001680300000000, 0.0057857700000000, 0.0005813700000000 ] - [ -0.0046796900000000, 0.0014075300000000, -0.0057208000000000 ] - [ -0.0000982100000000, -0.0002229400000000, -0.0011911100000000 ] - [ -0.0001762700000000, 0.0001394700000000, -0.0012147900000000 ] - [ -0.0001537000000000, -0.0000132800000000, -0.0012624100000000 ] - [ -0.0001420100000000, 0.0000033000000000, -0.0013492700000000 ] - [ -0.0001455600000000, 0.0000556200000000, -0.0012860200000000 ] - [ -0.0001317500000000, 0.0002067900000000, -0.0011576800000000 ] - [ -0.0001167200000000, 0.0001543500000000, -0.0012230000000000 ] - [ -0.0008922500000000, -0.0088342100000000, 0.0016300900000000 ] - [ -0.0010411100000000, 0.0018900700000000, 0.0004311700000000 ] - [ -0.0011270300000000, 0.0021109000000000, 0.0003494000000000 ] - [ -0.0011469800000000, 0.0019984900000000, 0.0003431800000000 ] - [ -0.0011860200000000, -0.0020039600000000, 0.0003598900000000 ] - [ -0.0011458600000000, -0.0019862000000000, 0.0003265600000000 ] - [ -0.0011380900000000, -0.0019127100000000, 0.0003600300000000 ] - [ -0.0011632600000000, -0.0019357900000000, 0.0003461100000000 ] - [ 0.0001665500000000, -0.0014406200000000, 0.0012496400000000 ] - [ 0.0040010200000000, -0.0021938100000000, 0.0009819500000000 ] - [ 0.0004348700000000, -0.0014037300000000, 0.0011330300000000 ] - [ 0.0004470800000000, -0.0012762300000000, 0.0010767500000000 ] - [ 0.0004408800000000, 0.0013901400000000, 0.0011046300000000 ] - [ 0.0004843600000000, 0.0013695700000000, 0.0012629600000000 ] - [ 0.0003664000000000, 0.0015074700000000, 0.0012231600000000 ] - [ 0.0003746100000000, 0.0015275600000000, 0.0012232300000000 ] - [ -0.0014355700000000, 0.0017134100000000, 0.0017526400000000 ] - [ -0.0008579400000000, 0.0019472300000000, 0.0007010800000000 ] - [ -0.0004579000000000, 0.0014693300000000, 0.0004817300000000 ] - [ -0.0009340500000000, 0.0017380900000000, 0.0006809500000000 ] - [ -0.0011008100000000, -0.0002128600000000, 0.0019010200000000 ] - [ -0.0009430100000000, -0.0016772600000000, 0.0006972100000000 ] - [ -0.0009181400000000, -0.0021091600000000, 0.0006268300000000 ] - [ -0.0007900400000000, -0.0019577400000000, 0.0006715700000000 ]- atom: 65 displacement: [ 0.0000000001462832, -0.0100000000000000, -0.0000000001023983 ] forces: - [ -0.0013407300000000, 0.0000468600000000, -0.0017431900000000 ] - [ -0.0001287900000000, 0.0003720900000000, -0.0013096600000000 ] - [ 0.0003705100000000, 0.0003087200000000, -0.0007361200000000 ] - [ -0.0005409200000000, 0.0003709500000000, -0.0010486200000000 ] - [ 0.0010692600000000, -0.0074976500000000, 0.0013536400000000 ] - [ 0.0005982400000000, -0.0003069100000000, 0.0010369800000000 ] - [ 0.0005715600000000, 0.0004407500000000, 0.0007838400000000 ] - [ 0.0005283600000000, 0.0000533900000000, 0.0007955700000000 ] - [ 0.0005100500000000, -0.0000057300000000, 0.0007649800000000 ] - [ 0.0005496000000000, 0.0000178000000000, 0.0007626000000000 ] - [ 0.0005106600000000, 0.0003239100000000, 0.0009070500000000 ] - [ 0.0004779600000000, 0.0002407900000000, 0.0008715700000000 ] - [ 0.0000722600000000, -0.0006446100000000, -0.0019799000000000 ] - [ -0.0007920100000000, -0.0004739300000000, -0.0013471800000000 ] - [ -0.0004883400000000, 0.0001050700000000, -0.0005339400000000 ] - [ -0.0003311000000000, -0.0001381500000000, -0.0011146600000000 ] - [ -0.0001452300000000, -0.0010528700000000, -0.0009924500000000 ] - [ -0.0002564700000000, -0.0006618400000000, -0.0004405100000000 ] - [ -0.0005477600000000, -0.0009891500000000, 0.0002114500000000 ] - [ -0.0000805500000000, -0.0006277600000000, -0.0003483400000000 ] - [ -0.0003095700000000, 0.0006780300000000, -0.0005032400000000 ] - [ -0.0002127200000000, 0.0006364600000000, -0.0004228000000000 ] - [ -0.0001329200000000, 0.0005693900000000, -0.0001742800000000 ] - [ -0.0002876700000000, 0.0005684000000000, -0.0003097400000000 ] - [ 0.0009654400000000, -0.0012918400000000, 0.0003505700000000 ] - [ 0.0004521200000000, -0.0014117500000000, 0.0000136800000000 ] - [ 0.0004099900000000, -0.0014677700000000, -0.0001089600000000 ] - [ 0.0006019800000000, -0.0014206600000000, -0.0000959400000000 ] - [ 0.0003519700000000, 0.0015666400000000, 0.0000800600000000 ] - [ 0.0007285300000000, 0.0016457000000000, 0.0000367200000000 ] - [ 0.0006878800000000, 0.0011357400000000, -0.0001495400000000 ] - [ 0.0005799100000000, 0.0012774400000000, -0.0000761700000000 ] - [ 0.0010885600000000, 0.0041123000000000, 0.0004463900000000 ] - [ 0.0009769100000000, 0.0056704000000000, -0.0008344100000000 ] - [ 0.0011906700000000, 0.0048057000000000, -0.0014246500000000 ] - [ 0.0010882700000000, 0.0056415200000000, -0.0008317000000000 ] - [ 0.0010207100000000, -0.0055665500000000, -0.0006397400000000 ] - [ 0.0011369400000000, -0.0056173600000000, -0.0007969600000000 ] - [ 0.0009369200000000, -0.0057480800000000, -0.0009282900000000 ] - [ 0.0010264300000000, -0.0056879100000000, -0.0008459800000000 ] - [ 0.0001704000000000, 0.0003037500000000, 0.0000883500000000 ] - [ 0.0001443300000000, 0.0001882500000000, -0.0001008700000000 ] - [ 0.0001349300000000, 0.0000055800000000, -0.0002231800000000 ] - [ 0.0001308100000000, 0.0001094700000000, -0.0001465600000000 ] - [ -0.0014055900000000, 0.0017325100000000, -0.0028198500000000 ] - [ 0.0001223100000000, -0.0000943000000000, -0.0001786800000000 ] - [ 0.0001806400000000, -0.0003544600000000, -0.0001331300000000 ] - [ 0.0001587400000000, -0.0002185900000000, -0.0001222800000000 ] - [ -0.0001117400000000, -0.0057628100000000, 0.0007466700000000 ] - [ 0.0002281500000000, -0.0057570300000000, 0.0007060600000000 ] - [ 0.0002583200000000, -0.0056711100000000, 0.0007814500000000 ] - [ -0.0001038200000000, -0.0057900800000000, 0.0008380400000000 ] - [ 0.0002157700000000, 0.0056648300000000, 0.0006601900000000 ] - [ 0.0000499900000000, 0.0056624700000000, 0.0007762600000000 ] - [ -0.0000576500000000, 0.0057736200000000, 0.0008686000000000 ] - [ 0.0003395000000000, 0.0056414600000000, 0.0009612600000000 ] - [ 0.0043874200000000, -0.0016200600000000, 0.0032068100000000 ] - [ -0.0001666600000000, 0.0000089000000000, -0.0013043800000000 ] - [ -0.0000892500000000, -0.0003536000000000, -0.0012801400000000 ] - [ -0.0001114800000000, -0.0002014800000000, -0.0012323400000000 ] - [ -0.0001233000000000, 0.0002134900000000, -0.0011433500000000 ] - [ -0.0001185500000000, 0.0001610800000000, -0.0012064900000000 ] - [ -0.0001338100000000, 0.0000092600000000, -0.0013350800000000 ] - [ -0.0001479400000000, 0.0000619000000000, -0.0012704100000000 ] - [ -0.0019214700000000, 0.0127613300000000, -0.0012867700000000 ] - [ -0.0012436500000000, 0.0020303300000000, 0.0002687300000000 ] - [ -0.0011616300000000, 0.0018086800000000, 0.0003489600000000 ] - [ -0.0011397600000000, 0.0019209300000000, 0.0003562600000000 ] - [ -0.0011038600000000, -0.0019162300000000, 0.0003392800000000 ] - [ -0.0011422800000000, -0.0019333300000000, 0.0003721200000000 ] - [ -0.0011515100000000, -0.0020068900000000, 0.0003384900000000 ] - [ -0.0011252300000000, -0.0019837700000000, 0.0003523500000000 ] - [ 0.0006348300000000, -0.0014737900000000, 0.0011097000000000 ] - [ -0.0031929300000000, -0.0006995300000000, 0.0013753000000000 ] - [ 0.0003614500000000, -0.0015131500000000, 0.0012273300000000 ] - [ 0.0003483100000000, -0.0016404000000000, 0.0012827900000000 ] - [ 0.0003551400000000, 0.0015268000000000, 0.0012559700000000 ] - [ 0.0003109900000000, 0.0015475500000000, 0.0010989300000000 ] - [ 0.0004297500000000, 0.0014092800000000, 0.0011368700000000 ] - [ 0.0004209300000000, 0.0013893100000000, 0.0011371900000000 ] - [ -0.0003058400000000, 0.0019118200000000, -0.0003708900000000 ] - [ -0.0008938500000000, 0.0016878400000000, 0.0006693900000000 ] - [ -0.0012848700000000, 0.0021637100000000, 0.0008914900000000 ] - [ -0.0008142900000000, 0.0018944100000000, 0.0006917100000000 ] - [ -0.0006498100000000, -0.0034144400000000, -0.0005350100000000 ] - [ -0.0008035100000000, -0.0019577400000000, 0.0006765600000000 ] - [ -0.0008277900000000, -0.0015262500000000, 0.0007461300000000 ] - [ -0.0009575700000000, -0.0016770200000000, 0.0007020400000000 ]- atom: 65 displacement: [ -0.0004071772244389, 0.0000000000853433, 0.0099917068966167 ] forces: - [ -0.0007629800000000, 0.0009992800000000, -0.0017179000000000 ] - [ -0.0003794300000000, 0.0003345300000000, -0.0013000800000000 ] - [ -0.0006092000000000, -0.0002331400000000, -0.0017075500000000 ] - [ -0.0003873000000000, 0.0003075700000000, -0.0013077300000000 ] - [ 0.0556165000000000, -0.0004358400000000, 0.0438794500000000 ] - [ -0.0000507100000000, -0.0005497600000000, 0.0014905700000000 ] - [ 0.0006825400000000, -0.0001645000000000, 0.0012255700000000 ] - [ 0.0003880200000000, -0.0001415800000000, 0.0010080200000000 ] - [ 0.0007599600000000, 0.0003242800000000, -0.0009958500000000 ] - [ 0.0004228200000000, -0.0000137000000000, 0.0004372200000000 ] - [ 0.0005711700000000, 0.0001083400000000, 0.0005059400000000 ] - [ 0.0004365100000000, 0.0000716800000000, 0.0006555400000000 ] - [ 0.0003520100000000, 0.0002822800000000, -0.0012482000000000 ] - [ -0.0009799600000000, 0.0001139900000000, -0.0013525600000000 ] - [ -0.0001413800000000, -0.0004406600000000, -0.0012800700000000 ] - [ -0.0006476100000000, -0.0003569700000000, -0.0010634900000000 ] - [ -0.0003862200000000, -0.0003388200000000, -0.0002396200000000 ] - [ -0.0001860500000000, -0.0006113500000000, -0.0004440900000000 ] - [ -0.0004970600000000, -0.0010804700000000, -0.0004639700000000 ] - [ -0.0000413000000000, -0.0007430700000000, -0.0004424200000000 ] - [ -0.0002261700000000, 0.0006540700000000, -0.0001662500000000 ] - [ -0.0002372500000000, 0.0005966900000000, -0.0003172200000000 ] - [ -0.0002416400000000, 0.0004592500000000, -0.0001420300000000 ] - [ -0.0002474400000000, 0.0005823000000000, -0.0003092600000000 ] - [ 0.0015187000000000, -0.0020899300000000, 0.0010400300000000 ] - [ 0.0005302200000000, -0.0013880900000000, -0.0000931600000000 ] - [ 0.0006326000000000, -0.0012124800000000, -0.0000111200000000 ] - [ 0.0005783900000000, -0.0013714900000000, -0.0000653800000000 ] - [ -0.0001913100000000, 0.0012145400000000, 0.0004686800000000 ] - [ 0.0011137100000000, 0.0011480700000000, -0.0000037700000000 ] - [ 0.0005013900000000, 0.0014284900000000, -0.0000452800000000 ] - [ 0.0006219900000000, 0.0013994500000000, -0.0000929700000000 ] - [ 0.0008465300000000, 0.0046372700000000, -0.0003158600000000 ] - [ 0.0011486000000000, 0.0056291800000000, -0.0007884400000000 ] - [ 0.0006672800000000, 0.0063271700000000, -0.0005183700000000 ] - [ 0.0011511200000000, 0.0056480600000000, -0.0007973400000000 ] - [ 0.0006191600000000, -0.0059648300000000, -0.0006934600000000 ] - [ 0.0012956200000000, -0.0056589900000000, -0.0007498700000000 ] - [ 0.0009835000000000, -0.0055971500000000, -0.0008461400000000 ] - [ 0.0011472800000000, -0.0056420000000000, -0.0008138600000000 ] - [ -0.0002988900000000, -0.0004647300000000, 0.0013417600000000 ] - [ 0.0002114600000000, 0.0001862900000000, 0.0000673700000000 ] - [ 0.0001064100000000, 0.0001682100000000, 0.0000224500000000 ] - [ 0.0001614600000000, 0.0001442500000000, -0.0000725700000000 ] - [ 0.0048937400000000, 0.0006086800000000, 0.0064054100000000 ] - [ 0.0001583800000000, -0.0001052500000000, -0.0003784700000000 ] - [ 0.0001488000000000, -0.0002094800000000, -0.0002124200000000 ] - [ 0.0001612200000000, -0.0001867800000000, -0.0001896100000000 ] - [ 0.0003136300000000, -0.0053961700000000, 0.0008865400000000 ] - [ 0.0000318000000000, -0.0057350600000000, 0.0008063000000000 ] - [ 0.0002201500000000, -0.0058693200000000, 0.0007477600000000 ] - [ 0.0000282600000000, -0.0057130700000000, 0.0007741000000000 ] - [ 0.0000055200000000, 0.0057214100000000, 0.0008003900000000 ] - [ 0.0001894600000000, 0.0058445600000000, 0.0006895200000000 ] - [ -0.0000626500000000, 0.0055707400000000, 0.0008375300000000 ] - [ 0.0002684600000000, 0.0055994700000000, 0.0008902800000000 ] - [ 0.0033540900000000, -0.0024789100000000, -0.0004394300000000 ] - [ -0.0001381400000000, -0.0000140000000000, -0.0015055300000000 ] - [ -0.0001884700000000, -0.0000398700000000, -0.0013660100000000 ] - [ -0.0001301100000000, -0.0001041400000000, -0.0013242000000000 ] - [ -0.0001938500000000, -0.0000058400000000, -0.0008653200000000 ] - [ -0.0000234700000000, 0.0001562900000000, -0.0010565500000000 ] - [ -0.0001484300000000, 0.0001239700000000, -0.0010815600000000 ] - [ -0.0000803000000000, 0.0001549000000000, -0.0011130600000000 ] - [ -0.0633786000000000, 0.0034056900000000, -0.0494218900000000 ] - [ -0.0009546400000000, 0.0020366000000000, 0.0002915700000000 ] - [ -0.0012484000000000, 0.0019588800000000, 0.0001907800000000 ] - [ -0.0011160900000000, 0.0019532900000000, 0.0003120000000000 ] - [ -0.0010686300000000, -0.0019719500000000, 0.0008364800000000 ] - [ -0.0010366300000000, -0.0019369100000000, 0.0004661800000000 ] - [ -0.0011271300000000, -0.0019700300000000, 0.0004520900000000 ] - [ -0.0010765300000000, -0.0019570500000000, 0.0004165600000000 ] - [ 0.0007162200000000, -0.0012517600000000, 0.0009474200000000 ] - [ -0.0003869700000000, -0.0016732800000000, -0.0010420000000000 ] - [ 0.0004713100000000, -0.0013819500000000, 0.0010562400000000 ] - [ 0.0003639100000000, -0.0013894800000000, 0.0009823400000000 ] - [ 0.0003239200000000, 0.0015862300000000, 0.0014043700000000 ] - [ 0.0001250000000000, 0.0017388600000000, 0.0022378200000000 ] - [ 0.0003886200000000, 0.0014948100000000, 0.0012610300000000 ] - [ 0.0003420000000000, 0.0015234000000000, 0.0013216200000000 ] - [ 0.0004302000000000, 0.0024116800000000, 0.0006114500000000 ] - [ -0.0013924100000000, 0.0019782300000000, 0.0004944600000000 ] - [ -0.0003856000000000, 0.0016253400000000, 0.0006821200000000 ] - [ -0.0011774400000000, 0.0015558200000000, 0.0006460200000000 ] - [ -0.0018751800000000, -0.0002858700000000, -0.0011700800000000 ] - [ -0.0005512300000000, -0.0018363900000000, 0.0006822900000000 ] - [ -0.0009014800000000, -0.0019680500000000, 0.0006240900000000 ] - [ -0.0008453400000000, -0.0018339100000000, 0.0006746700000000 ]- atom: 65 displacement: [ 0.0004071772244389, -0.0000000000853433, -0.0099917068966167 ] forces: - [ 0.0000345100000000, -0.0004089000000000, -0.0006225300000000 ] - [ -0.0003535100000000, 0.0002467100000000, -0.0010393900000000 ] - [ -0.0001207500000000, 0.0008065800000000, -0.0006371700000000 ] - [ -0.0003446000000000, 0.0002742500000000, -0.0010332800000000 ] - [ -0.0559651800000000, 0.0001837800000000, -0.0424133000000000 ] - [ 0.0010741100000000, 0.0002783600000000, 0.0002041900000000 ] - [ 0.0003446600000000, -0.0001042900000000, 0.0004693800000000 ] - [ 0.0006375600000000, -0.0001272200000000, 0.0006858900000000 ] - [ 0.0002662700000000, -0.0000501500000000, 0.0026795400000000 ] - [ 0.0006044700000000, 0.0002803700000000, 0.0012523600000000 ] - [ 0.0004570500000000, 0.0001587700000000, 0.0011840700000000 ] - [ 0.0005909900000000, 0.0001950400000000, 0.0010348900000000 ] - [ -0.0010845300000000, -0.0008597600000000, -0.0011003200000000 ] - [ 0.0002472400000000, -0.0006955900000000, -0.0009884200000000 ] - [ -0.0005896400000000, -0.0001435300000000, -0.0010664500000000 ] - [ -0.0000827000000000, -0.0002250000000000, -0.0012787600000000 ] - [ -0.0001040700000000, -0.0008935200000000, -0.0005160300000000 ] - [ -0.0003046100000000, -0.0006198700000000, -0.0003133000000000 ] - [ 0.0000063100000000, -0.0001516600000000, -0.0002917100000000 ] - [ -0.0004490200000000, -0.0004888000000000, -0.0003155700000000 ] - [ -0.0002648700000000, 0.0005788100000000, -0.0005906600000000 ] - [ -0.0002531000000000, 0.0006352900000000, -0.0004407400000000 ] - [ -0.0002498000000000, 0.0007713500000000, -0.0006153100000000 ] - [ -0.0002427800000000, 0.0006500400000000, -0.0004492600000000 ] - [ -0.0003452800000000, -0.0006671600000000, -0.0011561600000000 ] - [ 0.0006218600000000, -0.0013514000000000, -0.0000517900000000 ] - [ 0.0005182300000000, -0.0015256500000000, -0.0001319900000000 ] - [ 0.0005731600000000, -0.0013688800000000, -0.0000784700000000 ] - [ 0.0013500400000000, 0.0015239100000000, -0.0006234800000000 ] - [ 0.0000382100000000, 0.0015924800000000, -0.0001392000000000 ] - [ 0.0006491900000000, 0.0013125800000000, -0.0000977700000000 ] - [ 0.0005296000000000, 0.0013403600000000, -0.0000506400000000 ] - [ 0.0012407200000000, 0.0066736800000000, -0.0013455800000000 ] - [ 0.0009450000000000, 0.0056929600000000, -0.0008714600000000 ] - [ 0.0014198500000000, 0.0050020700000000, -0.0011408800000000 ] - [ 0.0009432600000000, 0.0056736800000000, -0.0008618600000000 ] - [ 0.0014750100000000, -0.0053570700000000, -0.0009643400000000 ] - [ 0.0007974100000000, -0.0056632000000000, -0.0009097300000000 ] - [ 0.0011100000000000, -0.0057247500000000, -0.0008119800000000 ] - [ 0.0009453900000000, -0.0056800700000000, -0.0008455700000000 ] - [ 0.0005701700000000, 0.0007618600000000, -0.0015775000000000 ] - [ 0.0000750900000000, 0.0001192700000000, -0.0003317400000000 ] - [ 0.0001791700000000, 0.0001376400000000, -0.0002868400000000 ] - [ 0.0001247300000000, 0.0001612600000000, -0.0001924300000000 ] - [ -0.0046704700000000, -0.0009417300000000, -0.0067485900000000 ] - [ 0.0001276900000000, -0.0002005900000000, 0.0001104800000000 ] - [ 0.0001372300000000, -0.0000968500000000, -0.0000547300000000 ] - [ 0.0001250100000000, -0.0001193800000000, -0.0000779100000000 ] - [ -0.0001389100000000, -0.0060243100000000, 0.0006553800000000 ] - [ 0.0001394300000000, -0.0056903700000000, 0.0007340200000000 ] - [ -0.0000479500000000, -0.0055572000000000, 0.0007917600000000 ] - [ 0.0001446900000000, -0.0057110800000000, 0.0007649400000000 ] - [ 0.0001657200000000, 0.0057043200000000, 0.0007405200000000 ] - [ -0.0000175200000000, 0.0055803400000000, 0.0008511100000000 ] - [ 0.0002332600000000, 0.0058534000000000, 0.0007040900000000 ] - [ -0.0000952800000000, 0.0058254400000000, 0.0006506400000000 ] - [ -0.0036320500000000, 0.0022747300000000, -0.0020303900000000 ] - [ -0.0001298300000000, -0.0001979100000000, -0.0009906700000000 ] - [ -0.0000790500000000, -0.0001720600000000, -0.0011297200000000 ] - [ -0.0001375700000000, -0.0001078800000000, -0.0011718000000000 ] - [ -0.0000744400000000, 0.0002168900000000, -0.0016284500000000 ] - [ -0.0002426600000000, 0.0000582400000000, -0.0014365800000000 ] - [ -0.0001190600000000, 0.0000907800000000, -0.0014124300000000 ] - [ -0.0001863800000000, 0.0000599400000000, -0.0013802700000000 ] - [ 0.0624614100000000, 0.0005328500000000, 0.0503214400000000 ] - [ -0.0013234200000000, 0.0018833900000000, 0.0004086000000000 ] - [ -0.0010325100000000, 0.0019612200000000, 0.0005075600000000 ] - [ -0.0011636500000000, 0.0019666000000000, 0.0003874300000000 ] - [ -0.0012115000000000, -0.0019485700000000, -0.0001356600000000 ] - [ -0.0012448000000000, -0.0019828300000000, 0.0002326200000000 ] - [ -0.0011548200000000, -0.0019497300000000, 0.0002470100000000 ] - [ -0.0012047800000000, -0.0019626100000000, 0.0002823400000000 ] - [ 0.0000764000000000, -0.0016637000000000, 0.0014132300000000 ] - [ 0.0012225200000000, -0.0012295900000000, 0.0033994200000000 ] - [ 0.0003215700000000, -0.0015360000000000, 0.0013062100000000 ] - [ 0.0004278100000000, -0.0015287600000000, 0.0013800000000000 ] - [ 0.0004677200000000, 0.0013332400000000, 0.0009603400000000 ] - [ 0.0006644400000000, 0.0011815000000000, 0.0001291900000000 ] - [ 0.0004031600000000, 0.0014244800000000, 0.0011030000000000 ] - [ 0.0004497900000000, 0.0013955300000000, 0.0010422900000000 ] - [ -0.0021671500000000, 0.0012218800000000, 0.0007775400000000 ] - [ -0.0003620500000000, 0.0016558000000000, 0.0008798600000000 ] - [ -0.0013589900000000, 0.0020059600000000, 0.0006910700000000 ] - [ -0.0005744200000000, 0.0020730400000000, 0.0007263700000000 ] - [ 0.0001291200000000, -0.0033591900000000, 0.0025357600000000 ] - [ -0.0011935500000000, -0.0017977800000000, 0.0006887600000000 ] - [ -0.0008470800000000, -0.0016653900000000, 0.0007475100000000 ] - [ -0.0009019100000000, -0.0018006600000000, 0.0006979900000000 ]- atom: 73 displacement: [ 0.0099999999133341, -0.0000000001139357, 0.0000013165557043 ] forces: - [ -0.0020590500000000, -0.0007289800000000, -0.0007692100000000 ] - [ -0.0005215500000000, 0.0005646300000000, -0.0013649800000000 ] - [ -0.0006750500000000, 0.0003521300000000, -0.0011272600000000 ] - [ -0.0004504400000000, -0.0000168300000000, -0.0014342300000000 ] - [ -0.0005534700000000, -0.0001704200000000, 0.0004263000000000 ] - [ 0.0590143300000000, 0.0303943900000000, -0.0270323300000000 ] - [ 0.0001880000000000, -0.0002290200000000, 0.0007477400000000 ] - [ 0.0008426400000000, -0.0004548500000000, 0.0008278600000000 ] - [ 0.0000684700000000, 0.0002443000000000, 0.0010177100000000 ] - [ 0.0008787200000000, 0.0007725500000000, 0.0015244300000000 ] - [ 0.0003354000000000, 0.0000227700000000, 0.0008929000000000 ] - [ 0.0007054100000000, 0.0000296700000000, 0.0009472100000000 ] - [ -0.0001306300000000, -0.0001694800000000, -0.0012661000000000 ] - [ -0.0007236200000000, -0.0005423700000000, -0.0007561600000000 ] - [ -0.0001982300000000, -0.0006435000000000, -0.0018109500000000 ] - [ -0.0004618200000000, -0.0000224100000000, -0.0007154600000000 ] - [ -0.0001124000000000, -0.0002354800000000, 0.0001388200000000 ] - [ -0.0001936700000000, -0.0008102400000000, -0.0006388500000000 ] - [ -0.0003213600000000, -0.0006044800000000, -0.0003043000000000 ] - [ -0.0001510400000000, -0.0004918600000000, -0.0005497500000000 ] - [ -0.0002005800000000, 0.0005859200000000, -0.0004349800000000 ] - [ -0.0002590600000000, 0.0006394100000000, -0.0003105300000000 ] - [ 0.0000180700000000, 0.0009424600000000, -0.0007986200000000 ] - [ -0.0002515200000000, 0.0005444200000000, -0.0002625500000000 ] - [ 0.0028587800000000, -0.0006097000000000, -0.0021068800000000 ] - [ 0.0007188600000000, -0.0015840500000000, -0.0000418400000000 ] - [ 0.0005998500000000, -0.0014231500000000, -0.0001049700000000 ] - [ 0.0006269300000000, -0.0012440000000000, -0.0000328000000000 ] - [ 0.0002417300000000, 0.0011945000000000, 0.0000470800000000 ] - [ 0.0008887200000000, 0.0014750500000000, -0.0002158700000000 ] - [ 0.0004779000000000, 0.0015026900000000, -0.0000134500000000 ] - [ 0.0006661700000000, 0.0012908400000000, -0.0001248100000000 ] - [ 0.0017896400000000, 0.0056175800000000, -0.0006562400000000 ] - [ 0.0017902400000000, 0.0048813800000000, -0.0002260200000000 ] - [ 0.0012537900000000, 0.0056218200000000, -0.0007931600000000 ] - [ 0.0008526500000000, 0.0057995600000000, -0.0007424500000000 ] - [ 0.0010770300000000, -0.0056732300000000, -0.0008186500000000 ] - [ 0.0011806900000000, -0.0055050000000000, -0.0009767900000000 ] - [ 0.0012204100000000, -0.0055809500000000, -0.0006957700000000 ] - [ 0.0008938500000000, -0.0057420700000000, -0.0008984900000000 ] - [ 0.0003019600000000, 0.0001619400000000, -0.0001520500000000 ] - [ -0.0000647100000000, 0.0000504900000000, 0.0000781600000000 ] - [ 0.0001915700000000, 0.0002136600000000, -0.0001388000000000 ] - [ 0.0001152200000000, 0.0002475300000000, -0.0001524700000000 ] - [ 0.0002949300000000, -0.0002201500000000, -0.0000087900000000 ] - [ 0.0005350100000000, 0.0009407700000000, -0.0046735400000000 ] - [ 0.0001870100000000, -0.0001236000000000, -0.0000977900000000 ] - [ 0.0000627600000000, 0.0000096900000000, -0.0000992900000000 ] - [ 0.0000261400000000, -0.0058901000000000, 0.0006711400000000 ] - [ 0.0002210900000000, -0.0055068500000000, 0.0008472200000000 ] - [ 0.0012789600000000, -0.0039261500000000, -0.0001564800000000 ] - [ 0.0002668600000000, -0.0057694900000000, 0.0007483700000000 ] - [ -0.0000568500000000, 0.0057408900000000, 0.0008874500000000 ] - [ 0.0002239900000000, 0.0056771200000000, 0.0006986800000000 ] - [ -0.0001417200000000, 0.0057167500000000, 0.0007403500000000 ] - [ 0.0002813600000000, 0.0057987500000000, 0.0006606800000000 ] - [ 0.0000819300000000, -0.0002638200000000, -0.0010931500000000 ] - [ -0.0009917800000000, 0.0014804800000000, -0.0027112900000000 ] - [ -0.0000572400000000, -0.0000939800000000, -0.0012022900000000 ] - [ -0.0001816200000000, 0.0000212400000000, -0.0012006500000000 ] - [ -0.0000170300000000, 0.0000876200000000, -0.0012639100000000 ] - [ -0.0003950400000000, -0.0001824200000000, -0.0016336200000000 ] - [ -0.0000710800000000, 0.0001775200000000, -0.0012221900000000 ] - [ -0.0001875600000000, 0.0001367400000000, -0.0012966100000000 ] - [ 0.0001877500000000, 0.0017277500000000, 0.0007230300000000 ] - [ 0.0076074800000000, 0.0055857300000000, -0.0001019000000000 ] - [ -0.0009897600000000, 0.0019938500000000, 0.0004313100000000 ] - [ -0.0012745600000000, 0.0020067600000000, 0.0003129800000000 ] - [ -0.0009929800000000, -0.0020000300000000, 0.0002841400000000 ] - [ -0.0013142900000000, -0.0020434100000000, 0.0000717300000000 ] - [ -0.0010861100000000, -0.0019257800000000, 0.0003447200000000 ] - [ -0.0012373500000000, -0.0019342300000000, 0.0002918800000000 ] - [ -0.0749919500000000, -0.0343814100000000, 0.0260753600000000 ] - [ 0.0008363600000000, -0.0013483700000000, 0.0012027800000000 ] - [ 0.0002874000000000, -0.0014093100000000, 0.0012294800000000 ] - [ 0.0005218100000000, -0.0013915200000000, 0.0011350900000000 ] - [ 0.0003480900000000, 0.0012933500000000, 0.0007726000000000 ] - [ 0.0005630400000000, 0.0013467800000000, 0.0010377700000000 ] - [ 0.0003235000000000, 0.0014893600000000, 0.0011662400000000 ] - [ 0.0004624000000000, 0.0014569700000000, 0.0011528000000000 ] - [ -0.0016747900000000, 0.0020375400000000, 0.0005722200000000 ] - [ 0.0030577200000000, -0.0024200500000000, 0.0114798200000000 ] - [ -0.0012324200000000, 0.0016064600000000, 0.0006333000000000 ] - [ -0.0003071900000000, 0.0017672000000000, 0.0006567500000000 ] - [ -0.0013370300000000, -0.0017564500000000, 0.0007455300000000 ] - [ 0.0001587400000000, -0.0024279600000000, 0.0017146700000000 ] - [ -0.0011520100000000, -0.0018525100000000, 0.0006818300000000 ] - [ -0.0005927900000000, -0.0018993600000000, 0.0006111800000000 ]- atom: 73 displacement: [ -0.0099999999133341, 0.0000000001139357, -0.0000013165557043 ] forces: - [ 0.0013228400000000, 0.0013150700000000, -0.0015695800000000 ] - [ -0.0001936400000000, 0.0000164600000000, -0.0009642500000000 ] - [ -0.0000581100000000, 0.0002249800000000, -0.0012132600000000 ] - [ -0.0002795000000000, 0.0005947800000000, -0.0009085600000000 ] - [ 0.0015878900000000, -0.0000961700000000, 0.0012736300000000 ] - [ -0.0564303500000000, -0.0292929200000000, 0.0273564300000000 ] - [ 0.0008412900000000, -0.0000374200000000, 0.0009442900000000 ] - [ 0.0001848800000000, 0.0001850600000000, 0.0008646300000000 ] - [ 0.0009628200000000, 0.0000236700000000, 0.0006737000000000 ] - [ 0.0001462600000000, -0.0005123300000000, 0.0001836100000000 ] - [ 0.0006949900000000, 0.0002436700000000, 0.0007988500000000 ] - [ 0.0003236400000000, 0.0002370100000000, 0.0007454800000000 ] - [ -0.0006026700000000, -0.0004139200000000, -0.0010705500000000 ] - [ -0.0000066700000000, -0.0000368900000000, -0.0015804500000000 ] - [ -0.0005383100000000, 0.0000695700000000, -0.0005193300000000 ] - [ -0.0002694300000000, -0.0005567600000000, -0.0016232900000000 ] - [ -0.0003856200000000, -0.0010081500000000, -0.0009195800000000 ] - [ -0.0003024800000000, -0.0004251000000000, -0.0001326800000000 ] - [ -0.0001740600000000, -0.0006304900000000, -0.0004679600000000 ] - [ -0.0003450600000000, -0.0007436900000000, -0.0002228400000000 ] - [ -0.0002946600000000, 0.0006502000000000, -0.0003364500000000 ] - [ -0.0002373400000000, 0.0005956000000000, -0.0004600600000000 ] - [ -0.0005130200000000, 0.0002923800000000, 0.0000268500000000 ] - [ -0.0002458000000000, 0.0006924200000000, -0.0005116800000000 ] - [ -0.0017117900000000, -0.0021475500000000, 0.0019818900000000 ] - [ 0.0004248900000000, -0.0011705700000000, -0.0001066800000000 ] - [ 0.0005482200000000, -0.0013280100000000, -0.0000429800000000 ] - [ 0.0005199700000000, -0.0015081300000000, -0.0001150400000000 ] - [ 0.0009073300000000, 0.0015620400000000, -0.0001982500000000 ] - [ 0.0002580800000000, 0.0012776700000000, 0.0000669700000000 ] - [ 0.0006718000000000, 0.0012481900000000, -0.0001357300000000 ] - [ 0.0004811100000000, 0.0014617200000000, -0.0000238100000000 ] - [ 0.0003102900000000, 0.0056972400000000, -0.0009984100000000 ] - [ 0.0002941100000000, 0.0064316200000000, -0.0014312300000000 ] - [ 0.0008449600000000, 0.0056938000000000, -0.0008615200000000 ] - [ 0.0012460600000000, 0.0055156600000000, -0.0009123800000000 ] - [ 0.0010209900000000, -0.0056414300000000, -0.0008373600000000 ] - [ 0.0009165400000000, -0.0058107600000000, -0.0006786000000000 ] - [ 0.0008770100000000, -0.0057349600000000, -0.0009613100000000 ] - [ 0.0012050300000000, -0.0055729600000000, -0.0007566300000000 ] - [ -0.0000196300000000, 0.0001476700000000, -0.0001087900000000 ] - [ 0.0003419000000000, 0.0002549100000000, -0.0003618900000000 ] - [ 0.0000909400000000, 0.0000965600000000, -0.0001224200000000 ] - [ 0.0001678500000000, 0.0000630200000000, -0.0001089000000000 ] - [ -0.0000128800000000, -0.0000903600000000, -0.0002563700000000 ] - [ -0.0002561700000000, -0.0012502300000000, 0.0043908800000000 ] - [ 0.0000955400000000, -0.0001868900000000, -0.0001651100000000 ] - [ 0.0002202000000000, -0.0003195800000000, -0.0001631400000000 ] - [ 0.0001444800000000, -0.0055389300000000, 0.0008761100000000 ] - [ -0.0000527800000000, -0.0059216800000000, 0.0007009500000000 ] - [ -0.0010900300000000, -0.0075019700000000, 0.0017059900000000 ] - [ -0.0001028200000000, -0.0056607300000000, 0.0007992000000000 ] - [ 0.0002288800000000, 0.0056886100000000, 0.0006579700000000 ] - [ -0.0000547000000000, 0.0057531700000000, 0.0008478600000000 ] - [ 0.0003138200000000, 0.0057142800000000, 0.0008050500000000 ] - [ -0.0001119600000000, 0.0056315800000000, 0.0008853800000000 ] - [ -0.0003468300000000, 0.0000491000000000, -0.0014021100000000 ] - [ 0.0007189800000000, -0.0017060500000000, 0.0002304700000000 ] - [ -0.0002062200000000, -0.0001231700000000, -0.0012907600000000 ] - [ -0.0000822300000000, -0.0002363700000000, -0.0012912600000000 ] - [ -0.0002465500000000, 0.0001302600000000, -0.0012285200000000 ] - [ 0.0001342600000000, 0.0004025600000000, -0.0008578800000000 ] - [ -0.0001920200000000, 0.0000412700000000, -0.0012698600000000 ] - [ -0.0000750900000000, 0.0000818100000000, -0.0011954500000000 ] - [ -0.0025178500000000, 0.0022005500000000, -0.0000263600000000 ] - [ -0.0097614000000000, -0.0016048700000000, 0.0008030600000000 ] - [ -0.0013058700000000, 0.0019252500000000, 0.0002691500000000 ] - [ -0.0010203300000000, 0.0019131900000000, 0.0003879600000000 ] - [ -0.0013047400000000, -0.0019191000000000, 0.0004148900000000 ] - [ -0.0009843700000000, -0.0018745700000000, 0.0006242600000000 ] - [ -0.0012114100000000, -0.0019931600000000, 0.0003543400000000 ] - [ -0.0010594300000000, -0.0019847600000000, 0.0004071500000000 ] - [ 0.0743085500000000, 0.0300596600000000, -0.0223799100000000 ] - [ -0.0000399200000000, -0.0015687400000000, 0.0011568200000000 ] - [ 0.0005132700000000, -0.0015045100000000, 0.0011277500000000 ] - [ 0.0002780700000000, -0.0015228700000000, 0.0012228900000000 ] - [ 0.0004547000000000, 0.0016193700000000, 0.0015798000000000 ] - [ 0.0002367400000000, 0.0015673600000000, 0.0013189600000000 ] - [ 0.0004769400000000, 0.0014249500000000, 0.0011905100000000 ] - [ 0.0003373500000000, 0.0014575000000000, 0.0012043500000000 ] - [ -0.0000676700000000, 0.0015984000000000, 0.0007982500000000 ] - [ -0.0049258800000000, 0.0060416500000000, -0.0100878700000000 ] - [ -0.0005122700000000, 0.0020250500000000, 0.0007396300000000 ] - [ -0.0014406300000000, 0.0018645600000000, 0.0007161500000000 ] - [ -0.0004073500000000, -0.0018784300000000, 0.0006305400000000 ] - [ -0.0019092800000000, -0.0012081800000000, -0.0003396500000000 ] - [ -0.0005912900000000, -0.0017821100000000, 0.0006926800000000 ] - [ -0.0011553300000000, -0.0017356000000000, 0.0007613900000000 ]- atom: 73 displacement: [ -0.0000000001462832, 0.0100000000000000, 0.0000000001023983 ] forces: - [ -0.0021790700000000, 0.0000941800000000, -0.0004116600000000 ] - [ 0.0012851800000000, 0.0009396400000000, 0.0001027400000000 ] - [ 0.0000039100000000, 0.0000590500000000, -0.0014754000000000 ] - [ -0.0006870000000000, 0.0001169000000000, -0.0015049200000000 ] - [ 0.0001678000000000, 0.0000308400000000, 0.0005084100000000 ] - [ 0.0275085600000000, 0.0221550300000000, -0.0154194500000000 ] - [ 0.0003484300000000, -0.0003061000000000, 0.0007208000000000 ] - [ 0.0005345500000000, -0.0009475600000000, 0.0007311600000000 ] - [ 0.0003266600000000, 0.0003920400000000, 0.0011657000000000 ] - [ 0.0005548000000000, 0.0005904600000000, 0.0019216800000000 ] - [ 0.0004902300000000, -0.0000405300000000, 0.0009317100000000 ] - [ 0.0005474900000000, -0.0001626200000000, 0.0010329400000000 ] - [ 0.0003699600000000, -0.0005810300000000, -0.0009727200000000 ] - [ -0.0010351500000000, -0.0002897400000000, -0.0008731500000000 ] - [ -0.0002764200000000, -0.0004449400000000, -0.0014000300000000 ] - [ -0.0003879100000000, -0.0003085000000000, -0.0011181900000000 ] - [ -0.0001135000000000, -0.0004421900000000, -0.0001114400000000 ] - [ -0.0002211600000000, -0.0006499600000000, -0.0003548100000000 ] - [ -0.0004579700000000, -0.0005101600000000, -0.0003450300000000 ] - [ 0.0000107200000000, -0.0005380100000000, -0.0004970600000000 ] - [ -0.0003024900000000, 0.0005866000000000, -0.0003073600000000 ] - [ -0.0002443000000000, 0.0005767300000000, -0.0002923600000000 ] - [ 0.0000333100000000, 0.0008275200000000, -0.0008502600000000 ] - [ -0.0004183800000000, 0.0007002600000000, -0.0007768400000000 ] - [ 0.0022538600000000, -0.0012096800000000, -0.0012585600000000 ] - [ 0.0003392400000000, -0.0017255700000000, -0.0001283400000000 ] - [ 0.0005230300000000, -0.0011334900000000, 0.0000262300000000 ] - [ 0.0006581600000000, -0.0012292300000000, -0.0000224700000000 ] - [ 0.0000449400000000, 0.0015143700000000, -0.0003253000000000 ] - [ 0.0008452800000000, 0.0013280800000000, -0.0001593100000000 ] - [ 0.0005617700000000, 0.0014654200000000, -0.0000407600000000 ] - [ 0.0005937500000000, 0.0014001700000000, -0.0000858400000000 ] - [ 0.0016651400000000, 0.0055783300000000, -0.0007151000000000 ] - [ -0.0024622900000000, 0.0068433300000000, -0.0022740500000000 ] - [ 0.0009811900000000, 0.0057091600000000, -0.0008163600000000 ] - [ 0.0011267800000000, 0.0057503900000000, -0.0006710500000000 ] - [ 0.0007893300000000, -0.0056747500000000, -0.0009321400000000 ] - [ 0.0014515400000000, -0.0055600300000000, -0.0010733000000000 ] - [ 0.0010938000000000, -0.0056189500000000, -0.0007918500000000 ] - [ 0.0010053400000000, -0.0056769900000000, -0.0008286400000000 ] - [ 0.0002151100000000, 0.0000873400000000, -0.0002264300000000 ] - [ -0.0002518300000000, -0.0006552600000000, -0.0011932600000000 ] - [ 0.0001679700000000, 0.0002512100000000, -0.0001510400000000 ] - [ 0.0001682400000000, 0.0003396900000000, -0.0001745900000000 ] - [ 0.0001892200000000, -0.0002258100000000, -0.0000250600000000 ] - [ 0.0008753200000000, -0.0015548300000000, -0.0012594300000000 ] - [ 0.0001505900000000, -0.0000729800000000, -0.0000969300000000 ] - [ 0.0000444500000000, 0.0002020600000000, -0.0000325500000000 ] - [ -0.0001688000000000, -0.0054338000000000, 0.0009976500000000 ] - [ 0.0001740200000000, -0.0056178100000000, 0.0008146500000000 ] - [ 0.0029110300000000, -0.0027108100000000, -0.0007552800000000 ] - [ -0.0003861500000000, -0.0057814800000000, 0.0007472900000000 ] - [ 0.0000590600000000, 0.0056956400000000, 0.0008300700000000 ] - [ 0.0001144500000000, 0.0057217600000000, 0.0007587100000000 ] - [ -0.0002565200000000, 0.0058728600000000, 0.0005498100000000 ] - [ 0.0002863200000000, 0.0057506500000000, 0.0006679800000000 ] - [ -0.0000354500000000, -0.0002551600000000, -0.0011160200000000 ] - [ 0.0021304300000000, 0.0060672500000000, -0.0072315500000000 ] - [ -0.0001119800000000, -0.0000403400000000, -0.0011925700000000 ] - [ -0.0002242400000000, 0.0003175500000000, -0.0010629100000000 ] - [ -0.0001246800000000, -0.0000067900000000, -0.0013784900000000 ] - [ -0.0002482800000000, -0.0002215900000000, -0.0014063100000000 ] - [ -0.0001104600000000, 0.0001911200000000, -0.0012490800000000 ] - [ -0.0001179900000000, 0.0002566100000000, -0.0012490400000000 ] - [ -0.0011371700000000, 0.0019758100000000, 0.0005554900000000 ] - [ 0.0027290300000000, 0.0011994800000000, 0.0002857800000000 ] - [ -0.0010391100000000, 0.0020140300000000, 0.0004304200000000 ] - [ -0.0011278200000000, 0.0021412300000000, 0.0004197200000000 ] - [ -0.0011150800000000, -0.0020262700000000, 0.0002242400000000 ] - [ -0.0012530400000000, -0.0020464700000000, 0.0000661200000000 ] - [ -0.0011517700000000, -0.0019093600000000, 0.0003137200000000 ] - [ -0.0011748300000000, -0.0018892700000000, 0.0002841200000000 ] - [ -0.0321379700000000, -0.0346870300000000, 0.0321381800000000 ] - [ 0.0005053900000000, -0.0015970600000000, 0.0013649800000000 ] - [ 0.0004437300000000, -0.0012234400000000, 0.0011495600000000 ] - [ 0.0004613100000000, -0.0013871300000000, 0.0011543400000000 ] - [ 0.0005599300000000, 0.0011840600000000, 0.0006895400000000 ] - [ 0.0005058700000000, 0.0013119600000000, 0.0009856100000000 ] - [ 0.0003634800000000, 0.0015110700000000, 0.0011439400000000 ] - [ 0.0003958900000000, 0.0014896900000000, 0.0011689700000000 ] - [ -0.0011180900000000, 0.0022096900000000, 0.0006177600000000 ] - [ -0.0024891500000000, 0.0039950000000000, -0.0050996300000000 ] - [ -0.0009684800000000, 0.0015895900000000, 0.0006314200000000 ] - [ -0.0007732600000000, 0.0012762300000000, 0.0004659200000000 ] - [ -0.0010438400000000, -0.0016503500000000, 0.0007727000000000 ] - [ -0.0004660300000000, -0.0012992900000000, 0.0031691400000000 ] - [ -0.0009595800000000, -0.0019223600000000, 0.0006923600000000 ] - [ -0.0007883500000000, -0.0020454000000000, 0.0005023400000000 ]- atom: 73 displacement: [ 0.0000000001462832, -0.0100000000000000, -0.0000000001023983 ] forces: - [ 0.0014587200000000, 0.0004811400000000, -0.0019380400000000 ] - [ -0.0020218900000000, -0.0003641000000000, -0.0024490000000000 ] - [ -0.0007369800000000, 0.0005238000000000, -0.0008634400000000 ] - [ -0.0000443400000000, 0.0004658100000000, -0.0008357200000000 ] - [ 0.0008615500000000, -0.0002977800000000, 0.0011839700000000 ] - [ -0.0258562200000000, -0.0223462400000000, 0.0166815800000000 ] - [ 0.0006809400000000, 0.0000391500000000, 0.0009724100000000 ] - [ 0.0004918100000000, 0.0006813400000000, 0.0009603400000000 ] - [ 0.0007033100000000, -0.0001254900000000, 0.0005249000000000 ] - [ 0.0004706900000000, -0.0003301900000000, -0.0002261700000000 ] - [ 0.0005393900000000, 0.0003089100000000, 0.0007596400000000 ] - [ 0.0004810000000000, 0.0004316400000000, 0.0006580400000000 ] - [ -0.0011004100000000, 0.0000020600000000, -0.0013674200000000 ] - [ 0.0003026700000000, -0.0002876100000000, -0.0014669300000000 ] - [ -0.0004565900000000, -0.0001352800000000, -0.0009371700000000 ] - [ -0.0003436400000000, -0.0002725900000000, -0.0012220700000000 ] - [ -0.0003819300000000, -0.0007937000000000, -0.0006576100000000 ] - [ -0.0002720600000000, -0.0005828200000000, -0.0004101100000000 ] - [ -0.0000349900000000, -0.0007240200000000, -0.0004194800000000 ] - [ -0.0005033900000000, -0.0006966600000000, -0.0002675600000000 ] - [ -0.0001901800000000, 0.0006477600000000, -0.0004576800000000 ] - [ -0.0002487800000000, 0.0006569300000000, -0.0004720000000000 ] - [ -0.0005279300000000, 0.0004069700000000, 0.0000885400000000 ] - [ -0.0000737800000000, 0.0005341600000000, 0.0000140200000000 ] - [ -0.0011063600000000, -0.0015289500000000, 0.0011177100000000 ] - [ 0.0008101000000000, -0.0010177700000000, -0.0000166600000000 ] - [ 0.0006259800000000, -0.0016134900000000, -0.0001721300000000 ] - [ 0.0004907700000000, -0.0015177500000000, -0.0001232200000000 ] - [ 0.0011041000000000, 0.0012311800000000, 0.0001783700000000 ] - [ 0.0003027600000000, 0.0014170000000000, 0.0000139900000000 ] - [ 0.0005871600000000, 0.0012811500000000, -0.0001054300000000 ] - [ 0.0005553200000000, 0.0013466200000000, -0.0000600500000000 ] - [ 0.0004278100000000, 0.0057420300000000, -0.0009426800000000 ] - [ 0.0045858800000000, 0.0044678100000000, 0.0006259300000000 ] - [ 0.0011152200000000, 0.0056096400000000, -0.0008413700000000 ] - [ 0.0009705300000000, 0.0055675500000000, -0.0009868200000000 ] - [ 0.0013064200000000, -0.0056439100000000, -0.0007256400000000 ] - [ 0.0006456200000000, -0.0057597200000000, -0.0005850300000000 ] - [ 0.0010021500000000, -0.0056996100000000, -0.0008662000000000 ] - [ 0.0010918900000000, -0.0056408100000000, -0.0008291000000000 ] - [ 0.0000697100000000, 0.0002210400000000, -0.0000359800000000 ] - [ 0.0005335500000000, 0.0009600800000000, 0.0009176200000000 ] - [ 0.0001170900000000, 0.0000563100000000, -0.0001117200000000 ] - [ 0.0001172800000000, -0.0000324600000000, -0.0000877400000000 ] - [ 0.0000960700000000, -0.0000821500000000, -0.0002397400000000 ] - [ -0.0006006300000000, 0.0012281100000000, 0.0010296000000000 ] - [ 0.0001346600000000, -0.0002352700000000, -0.0001678900000000 ] - [ 0.0002414800000000, -0.0005111600000000, -0.0002329500000000 ] - [ 0.0003374100000000, -0.0059905900000000, 0.0005468200000000 ] - [ -0.0000052100000000, -0.0058100400000000, 0.0007285700000000 ] - [ -0.0027779000000000, -0.0087669800000000, 0.0023242100000000 ] - [ 0.0005578900000000, -0.0056449000000000, 0.0007965100000000 ] - [ 0.0001116000000000, 0.0057332200000000, 0.0007122900000000 ] - [ 0.0000555200000000, 0.0057064900000000, 0.0007842200000000 ] - [ 0.0004256800000000, 0.0055553100000000, 0.0009922000000000 ] - [ -0.0001162100000000, 0.0056767000000000, 0.0008749600000000 ] - [ -0.0002303400000000, 0.0000410900000000, -0.0013779100000000 ] - [ -0.0023568300000000, -0.0061929500000000, 0.0046601900000000 ] - [ -0.0001535000000000, -0.0001742300000000, -0.0013018400000000 ] - [ -0.0000399600000000, -0.0005364800000000, -0.0014331300000000 ] - [ -0.0001406000000000, 0.0002242400000000, -0.0011140200000000 ] - [ -0.0000154600000000, 0.0004425900000000, -0.0010882800000000 ] - [ -0.0001549100000000, 0.0000252100000000, -0.0012442600000000 ] - [ -0.0001470800000000, -0.0000408000000000, -0.0012443600000000 ] - [ -0.0011516500000000, 0.0019431000000000, 0.0001438300000000 ] - [ -0.0050319300000000, 0.0026942100000000, 0.0004147100000000 ] - [ -0.0012493700000000, 0.0019056600000000, 0.0002683000000000 ] - [ -0.0011586900000000, 0.0017782000000000, 0.0002799600000000 ] - [ -0.0011742800000000, -0.0018926900000000, 0.0004744500000000 ] - [ -0.0010362700000000, -0.0018716700000000, 0.0006322900000000 ] - [ -0.0011376300000000, -0.0020102000000000, 0.0003846400000000 ] - [ -0.0011136800000000, -0.0020303200000000, 0.0004143600000000 ] - [ 0.0323087300000000, 0.0316658400000000, -0.0294788400000000 ] - [ 0.0002898000000000, -0.0013188600000000, 0.0009948000000000 ] - [ 0.0003519900000000, -0.0016943200000000, 0.0012116200000000 ] - [ 0.0003338600000000, -0.0015296800000000, 0.0012062000000000 ] - [ 0.0002372100000000, 0.0017327000000000, 0.0016706700000000 ] - [ 0.0002893900000000, 0.0016051600000000, 0.0013745500000000 ] - [ 0.0004324400000000, 0.0014055900000000, 0.0012158300000000 ] - [ 0.0003996600000000, 0.0014269800000000, 0.0011908300000000 ] - [ -0.0006264300000000, 0.0014207300000000, 0.0007548700000000 ] - [ 0.0007490500000000, -0.0003452100000000, 0.0066137100000000 ] - [ -0.0007775200000000, 0.0020447000000000, 0.0007417300000000 ] - [ -0.0009742300000000, 0.0023600200000000, 0.0009065700000000 ] - [ -0.0007017000000000, -0.0019828700000000, 0.0005999200000000 ] - [ -0.0012856700000000, -0.0023213800000000, -0.0017914800000000 ] - [ -0.0007861300000000, -0.0017119800000000, 0.0006811800000000 ] - [ -0.0009586000000000, -0.0015902100000000, 0.0008732400000000 ]- atom: 73 displacement: [ -0.0004071772244389, 0.0000000000853433, 0.0099917068966167 ] forces: - [ 0.0017711800000000, 0.0015101300000000, -0.0017238300000000 ] - [ -0.0020858300000000, -0.0001407300000000, -0.0025735800000000 ] - [ -0.0002827000000000, 0.0003768900000000, -0.0010708500000000 ] - [ -0.0002729700000000, 0.0003014800000000, -0.0007984200000000 ] - [ 0.0006477600000000, -0.0003745600000000, 0.0013215800000000 ] - [ -0.0227821300000000, -0.0156328900000000, 0.0228480900000000 ] - [ 0.0006804800000000, -0.0000291200000000, 0.0011065200000000 ] - [ 0.0006283600000000, 0.0000247000000000, 0.0013903500000000 ] - [ 0.0007795700000000, -0.0001593200000000, 0.0003042900000000 ] - [ 0.0009653200000000, 0.0007730200000000, -0.0028107700000000 ] - [ 0.0005647300000000, 0.0002589900000000, 0.0006289400000000 ] - [ 0.0004523800000000, 0.0002521600000000, 0.0004260900000000 ] - [ -0.0012768500000000, 0.0006335600000000, -0.0014160200000000 ] - [ 0.0005051900000000, -0.0000636100000000, -0.0013204600000000 ] - [ -0.0007274200000000, -0.0002580200000000, -0.0010150400000000 ] - [ -0.0000755000000000, -0.0005270700000000, -0.0014719100000000 ] - [ -0.0000174900000000, -0.0005365300000000, -0.0004986500000000 ] - [ -0.0003940900000000, -0.0004256300000000, -0.0002915900000000 ] - [ -0.0000006700000000, -0.0008413100000000, -0.0004879300000000 ] - [ -0.0005071600000000, -0.0007378700000000, -0.0003471900000000 ] - [ -0.0002594600000000, 0.0006590500000000, -0.0003692500000000 ] - [ -0.0001432500000000, 0.0007691600000000, -0.0004822100000000 ] - [ -0.0005682800000000, 0.0001969400000000, 0.0001894600000000 ] - [ -0.0000841600000000, 0.0004936000000000, 0.0000249700000000 ] - [ -0.0036838700000000, -0.0024282900000000, 0.0027686500000000 ] - [ 0.0008778400000000, -0.0011018200000000, -0.0000400000000000 ] - [ 0.0005713300000000, -0.0014482000000000, -0.0000986200000000 ] - [ 0.0005531700000000, -0.0014321100000000, -0.0001268700000000 ] - [ 0.0013911400000000, 0.0006831900000000, 0.0003704200000000 ] - [ 0.0001760400000000, 0.0013465500000000, 0.0000459600000000 ] - [ 0.0006647200000000, 0.0013345700000000, -0.0000914900000000 ] - [ 0.0004745500000000, 0.0014238800000000, -0.0000296300000000 ] - [ 0.0002311600000000, 0.0056810800000000, -0.0010457900000000 ] - [ 0.0050007900000000, 0.0038144000000000, 0.0004789000000000 ] - [ 0.0009734900000000, 0.0056474200000000, -0.0008695100000000 ] - [ 0.0010269700000000, 0.0056398100000000, -0.0009460300000000 ] - [ 0.0014396800000000, -0.0057046300000000, -0.0006617300000000 ] - [ 0.0004535800000000, -0.0060280800000000, -0.0005816000000000 ] - [ 0.0010957600000000, -0.0056830400000000, -0.0008208800000000 ] - [ 0.0010385700000000, -0.0055757000000000, -0.0007872100000000 ] - [ 0.0000222900000000, 0.0002188600000000, 0.0000281100000000 ] - [ 0.0017889800000000, 0.0017352600000000, 0.0053822300000000 ] - [ 0.0001114200000000, 0.0000514700000000, -0.0000798000000000 ] - [ 0.0001212200000000, -0.0000072400000000, -0.0000392000000000 ] - [ 0.0001191400000000, -0.0000851700000000, -0.0002887700000000 ] - [ -0.0045492100000000, -0.0019872700000000, 0.0089629500000000 ] - [ 0.0001342300000000, -0.0002268600000000, -0.0002070600000000 ] - [ 0.0001767400000000, -0.0003108000000000, -0.0001860500000000 ] - [ 0.0001430700000000, -0.0056336400000000, 0.0008054100000000 ] - [ 0.0000597800000000, -0.0057857000000000, 0.0007038500000000 ] - [ -0.0026188800000000, -0.0087691500000000, 0.0019121200000000 ] - [ 0.0005915500000000, -0.0056969400000000, 0.0007780900000000 ] - [ 0.0002159400000000, 0.0058216400000000, 0.0006964600000000 ] - [ -0.0000437000000000, 0.0057196200000000, 0.0008402800000000 ] - [ 0.0003275600000000, 0.0054778500000000, 0.0009962800000000 ] - [ -0.0001615000000000, 0.0056225200000000, 0.0008976500000000 ] - [ -0.0002289700000000, 0.0000367800000000, -0.0014487100000000 ] - [ -0.0018172300000000, -0.0055404000000000, 0.0011302300000000 ] - [ -0.0001655100000000, -0.0001308000000000, -0.0013581200000000 ] - [ -0.0001905400000000, -0.0000627600000000, -0.0014540900000000 ] - [ -0.0001389300000000, 0.0002233400000000, -0.0010390600000000 ] - [ -0.0001162100000000, 0.0001569500000000, -0.0010515100000000 ] - [ -0.0001497700000000, 0.0000527600000000, -0.0011930900000000 ] - [ -0.0001024500000000, 0.0000656500000000, -0.0011367300000000 ] - [ -0.0013370700000000, 0.0020399300000000, 0.0000956700000000 ] - [ -0.0024133600000000, 0.0016096000000000, -0.0018836500000000 ] - [ -0.0012655500000000, 0.0019134200000000, 0.0002162400000000 ] - [ -0.0012474700000000, 0.0018568500000000, 0.0001476400000000 ] - [ -0.0011624000000000, -0.0018843500000000, 0.0005732100000000 ] - [ -0.0007906200000000, -0.0020411800000000, 0.0014295300000000 ] - [ -0.0011199300000000, -0.0020055700000000, 0.0004293300000000 ] - [ -0.0010692600000000, -0.0020050600000000, 0.0004939600000000 ] - [ 0.0271234800000000, 0.0306512400000000, -0.0536123800000000 ] - [ 0.0004008500000000, -0.0012799900000000, 0.0008938000000000 ] - [ 0.0004515200000000, -0.0014936800000000, 0.0009715900000000 ] - [ 0.0003468500000000, -0.0014894100000000, 0.0011384800000000 ] - [ -0.0000072400000000, 0.0019584000000000, 0.0026502800000000 ] - [ 0.0002478900000000, 0.0016605700000000, 0.0014826500000000 ] - [ 0.0003865600000000, 0.0014966500000000, 0.0013577200000000 ] - [ 0.0003672400000000, 0.0014724700000000, 0.0012660100000000 ] - [ -0.0006217500000000, 0.0014412700000000, 0.0008042700000000 ] - [ 0.0047040300000000, -0.0056428900000000, 0.0179183700000000 ] - [ -0.0007837300000000, 0.0019745500000000, 0.0007624300000000 ] - [ -0.0010577400000000, 0.0019937500000000, 0.0009428700000000 ] - [ -0.0006396800000000, -0.0019714900000000, 0.0005132000000000 ] - [ -0.0020781000000000, -0.0002489700000000, -0.0025331000000000 ] - [ -0.0007433700000000, -0.0017728100000000, 0.0006492000000000 ] - [ -0.0010220700000000, -0.0018713400000000, 0.0005140200000000 ]- atom: 73 displacement: [ 0.0004071772244389, -0.0000000000853433, -0.0099917068966167 ] forces: - [ -0.0024919300000000, -0.0009178200000000, -0.0006210000000000 ] - [ 0.0013529400000000, 0.0007197000000000, 0.0002286400000000 ] - [ -0.0004497700000000, 0.0002056800000000, -0.0012682000000000 ] - [ -0.0004574500000000, 0.0002808200000000, -0.0015388200000000 ] - [ 0.0003808800000000, 0.0001072700000000, 0.0003692600000000 ] - [ 0.0245721800000000, 0.0158630200000000, -0.0213682200000000 ] - [ 0.0003474300000000, -0.0002385900000000, 0.0005861500000000 ] - [ 0.0003981400000000, -0.0002938200000000, 0.0003031800000000 ] - [ 0.0002508400000000, 0.0004263000000000, 0.0013850100000000 ] - [ 0.0000686000000000, -0.0004881600000000, 0.0044885500000000 ] - [ 0.0004636600000000, 0.0000093500000000, 0.0010612500000000 ] - [ 0.0005749700000000, 0.0000155100000000, 0.0012638900000000 ] - [ 0.0005440900000000, -0.0012166700000000, -0.0009273800000000 ] - [ -0.0012362500000000, -0.0005188900000000, -0.0010252900000000 ] - [ -0.0000037500000000, -0.0003250800000000, -0.0013300500000000 ] - [ -0.0006560500000000, -0.0000542500000000, -0.0008713900000000 ] - [ -0.0004747800000000, -0.0006926300000000, -0.0002564300000000 ] - [ -0.0000975200000000, -0.0008042100000000, -0.0004643500000000 ] - [ -0.0004905700000000, -0.0003886800000000, -0.0002685500000000 ] - [ 0.0000146000000000, -0.0004921100000000, -0.0004078100000000 ] - [ -0.0002321100000000, 0.0005719000000000, -0.0003890600000000 ] - [ -0.0003474400000000, 0.0004622600000000, -0.0002765000000000 ] - [ 0.0000752400000000, 0.0010305200000000, -0.0009431600000000 ] - [ -0.0004074300000000, 0.0007369600000000, -0.0007819800000000 ] - [ 0.0047666900000000, -0.0003190900000000, -0.0028613900000000 ] - [ 0.0002738900000000, -0.0016358100000000, -0.0001051700000000 ] - [ 0.0005803500000000, -0.0012920700000000, -0.0000468000000000 ] - [ 0.0005983700000000, -0.0013079700000000, -0.0000186800000000 ] - [ -0.0002446000000000, 0.0020620200000000, -0.0005228600000000 ] - [ 0.0009750100000000, 0.0013928200000000, -0.0001904800000000 ] - [ 0.0004868200000000, 0.0014053100000000, -0.0000530900000000 ] - [ 0.0006771200000000, 0.0013155500000000, -0.0001153300000000 ] - [ 0.0018547500000000, 0.0056410000000000, -0.0006169500000000 ] - [ -0.0028828500000000, 0.0074897900000000, -0.0021394600000000 ] - [ 0.0011178000000000, 0.0056745400000000, -0.0007915700000000 ] - [ 0.0010648800000000, 0.0056816500000000, -0.0007162200000000 ] - [ 0.0006517700000000, -0.0056170300000000, -0.0009989000000000 ] - [ 0.0016384800000000, -0.0052930300000000, -0.0010775500000000 ] - [ 0.0009962600000000, -0.0056386600000000, -0.0008389800000000 ] - [ 0.0010529700000000, -0.0057464900000000, -0.0008732100000000 ] - [ 0.0002615900000000, 0.0000872300000000, -0.0002949400000000 ] - [ -0.0014708100000000, -0.0013940000000000, -0.0055786300000000 ] - [ 0.0001735400000000, 0.0002539200000000, -0.0001870800000000 ] - [ 0.0001641300000000, 0.0003127100000000, -0.0002279200000000 ] - [ 0.0001661200000000, -0.0002213700000000, 0.0000202500000000 ] - [ 0.0049257300000000, 0.0016936300000000, -0.0093483600000000 ] - [ 0.0001509300000000, -0.0000795300000000, -0.0000619100000000 ] - [ 0.0001087700000000, 0.0000046200000000, -0.0000826500000000 ] - [ 0.0000302300000000, -0.0057916400000000, 0.0007331900000000 ] - [ 0.0001120700000000, -0.0056410700000000, 0.0008351400000000 ] - [ 0.0027686200000000, -0.0026945600000000, -0.0003656000000000 ] - [ -0.0004178200000000, -0.0057283600000000, 0.0007613200000000 ] - [ -0.0000429900000000, 0.0056046700000000, 0.0008432300000000 ] - [ 0.0002168300000000, 0.0057059900000000, 0.0006989100000000 ] - [ -0.0001535000000000, 0.0059477400000000, 0.0005437800000000 ] - [ 0.0003339600000000, 0.0058033200000000, 0.0006416100000000 ] - [ -0.0000392500000000, -0.0002480300000000, -0.0010473800000000 ] - [ 0.0015590100000000, 0.0053501500000000, -0.0035974700000000 ] - [ -0.0001022800000000, -0.0000809300000000, -0.0011388300000000 ] - [ -0.0000774000000000, -0.0001486000000000, -0.0010427800000000 ] - [ -0.0001292200000000, -0.0000095000000000, -0.0014561700000000 ] - [ -0.0001535900000000, 0.0000550900000000, -0.0014620300000000 ] - [ -0.0001180900000000, 0.0001607600000000, -0.0013029300000000 ] - [ -0.0001648000000000, 0.0001480100000000, -0.0013594600000000 ] - [ -0.0009402700000000, 0.0018782800000000, 0.0006032900000000 ] - [ 0.0000818800000000, 0.0022925100000000, 0.0025935200000000 ] - [ -0.0010151900000000, 0.0020064900000000, 0.0004827900000000 ] - [ -0.0010322800000000, 0.0020628300000000, 0.0005518000000000 ] - [ -0.0011196800000000, -0.0020352200000000, 0.0001262300000000 ] - [ -0.0014892900000000, -0.0018808100000000, -0.0007284000000000 ] - [ -0.0011617600000000, -0.0019142400000000, 0.0002695400000000 ] - [ -0.0012116800000000, -0.0019145700000000, 0.0002049700000000 ] - [ -0.0273731000000000, -0.0335414800000000, 0.0552660200000000 ] - [ 0.0003898800000000, -0.0016380200000000, 0.0014685000000000 ] - [ 0.0003408100000000, -0.0014255300000000, 0.0013912400000000 ] - [ 0.0004444000000000, -0.0014299400000000, 0.0012247200000000 ] - [ 0.0007970900000000, 0.0009606900000000, -0.0002856200000000 ] - [ 0.0005431500000000, 0.0012591800000000, 0.0008808200000000 ] - [ 0.0004052500000000, 0.0014227200000000, 0.0010053300000000 ] - [ 0.0004244800000000, 0.0014464900000000, 0.0010967500000000 ] - [ -0.0011223900000000, 0.0021889900000000, 0.0005699100000000 ] - [ -0.0062074700000000, 0.0087440300000000, -0.0156031400000000 ] - [ -0.0009634000000000, 0.0016593600000000, 0.0006103700000000 ] - [ -0.0006921400000000, 0.0016409200000000, 0.0004308900000000 ] - [ -0.0011082500000000, -0.0016624200000000, 0.0008573600000000 ] - [ 0.0003325800000000, -0.0033977100000000, 0.0038995400000000 ] - [ -0.0010046300000000, -0.0018610600000000, 0.0007227300000000 ] - [ -0.0007260400000000, -0.0017626700000000, 0.0008564900000000 ]- atom: 81 displacement: [ 0.0099999999133341, -0.0000000001139357, 0.0000013165557043 ] forces: - [ 0.0113757900000000, 0.0000846200000000, 0.0052434100000000 ] - [ 0.0129637900000000, 0.0107743100000000, -0.0028145000000000 ] - [ 0.0000838600000000, 0.0006348400000000, -0.0016632500000000 ] - [ -0.0003791000000000, 0.0000073800000000, -0.0006799700000000 ] - [ -0.0044173200000000, -0.0006898700000000, -0.0002555700000000 ] - [ 0.0024544400000000, -0.0000606800000000, 0.0014784500000000 ] - [ -0.0011310200000000, -0.0005285600000000, 0.0003951000000000 ] - [ 0.0015782200000000, -0.0000897700000000, 0.0012322500000000 ] - [ -0.0021759100000000, -0.0012425700000000, 0.0077919900000000 ] - [ 0.0024862600000000, 0.0003157600000000, 0.0002425800000000 ] - [ -0.0000247900000000, 0.0001887300000000, 0.0011498100000000 ] - [ 0.0012260400000000, 0.0002472600000000, 0.0006419000000000 ] - [ -0.0000964900000000, -0.0002046200000000, -0.0013151000000000 ] - [ -0.0006226200000000, -0.0003928800000000, -0.0009750600000000 ] - [ -0.0000025700000000, -0.0009464200000000, -0.0019416800000000 ] - [ -0.0008501000000000, 0.0002443100000000, -0.0004224600000000 ] - [ -0.0003348700000000, -0.0002291500000000, 0.0002208700000000 ] - [ -0.0001205600000000, -0.0009279400000000, -0.0009575300000000 ] - [ -0.0003011800000000, -0.0006351700000000, -0.0002872900000000 ] - [ -0.0001925100000000, -0.0006088300000000, -0.0004870800000000 ] - [ -0.0004625000000000, 0.0003175700000000, -0.0002028900000000 ] - [ -0.0002460600000000, 0.0009171500000000, -0.0004553300000000 ] - [ -0.0014186200000000, 0.0015240800000000, -0.0024444300000000 ] - [ -0.0016047400000000, -0.0014407900000000, 0.0016782700000000 ] - [ -0.0022582800000000, -0.0024511100000000, -0.0003918900000000 ] - [ 0.0127887200000000, -0.0102730700000000, -0.0042671400000000 ] - [ 0.0002912900000000, -0.0014241600000000, 0.0000106800000000 ] - [ 0.0008156400000000, -0.0014154800000000, -0.0001703200000000 ] - [ 0.0003033000000000, 0.0013251500000000, -0.0000251400000000 ] - [ 0.0008359900000000, 0.0014208900000000, -0.0001670800000000 ] - [ 0.0002831200000000, 0.0016002300000000, -0.0000001100000000 ] - [ 0.0008882300000000, 0.0012102400000000, -0.0001461900000000 ] - [ 0.0130278800000000, -0.0050851500000000, -0.0117280800000000 ] - [ -0.0027150300000000, 0.0054079400000000, -0.0019498100000000 ] - [ 0.0012734400000000, 0.0055003300000000, -0.0007689800000000 ] - [ 0.0007357700000000, 0.0057446100000000, -0.0009241400000000 ] - [ 0.0010980100000000, -0.0056503500000000, -0.0008770400000000 ] - [ 0.0009977400000000, -0.0056427200000000, -0.0008344500000000 ] - [ 0.0013426300000000, -0.0055013100000000, -0.0007260200000000 ] - [ 0.0007579000000000, -0.0058268600000000, -0.0009334900000000 ] - [ 0.0057719700000000, 0.0105220500000000, 0.0015267800000000 ] - [ -0.0008071000000000, -0.0000541200000000, 0.0000039400000000 ] - [ 0.0002967900000000, 0.0001970400000000, -0.0000678300000000 ] - [ -0.0000198400000000, 0.0000123000000000, -0.0001450700000000 ] - [ 0.0007237000000000, -0.0001450000000000, -0.0005184100000000 ] - [ -0.0001157100000000, -0.0001047600000000, -0.0003646400000000 ] - [ 0.0003166700000000, -0.0001147200000000, -0.0000158400000000 ] - [ -0.0000096200000000, -0.0001536700000000, -0.0002730100000000 ] - [ -0.0002867500000000, -0.0057688800000000, 0.0008979500000000 ] - [ 0.0005243100000000, -0.0055571200000000, 0.0007147900000000 ] - [ -0.0033141900000000, -0.0057196700000000, 0.0009686700000000 ] - [ 0.0068687400000000, 0.0040482800000000, 0.0044212500000000 ] - [ -0.0003466000000000, 0.0058559800000000, 0.0009112700000000 ] - [ 0.0005225000000000, 0.0056127000000000, 0.0006456900000000 ] - [ -0.0001283700000000, 0.0057118300000000, 0.0008160700000000 ] - [ 0.0003099600000000, 0.0057030900000000, 0.0006827200000000 ] - [ 0.0003486700000000, 0.0001132000000000, -0.0013296900000000 ] - [ -0.0004691800000000, 0.0000939100000000, -0.0014636300000000 ] - [ 0.0001009100000000, -0.0001291800000000, -0.0010443700000000 ] - [ -0.0003437700000000, -0.0000242700000000, -0.0013942000000000 ] - [ 0.0011725200000000, 0.0005798100000000, -0.0005801700000000 ] - [ -0.0007962300000000, -0.0001379100000000, -0.0014269200000000 ] - [ -0.0000122300000000, 0.0001313200000000, -0.0012022300000000 ] - [ -0.0002966000000000, 0.0000226800000000, -0.0012599400000000 ] - [ 0.0000212500000000, 0.0013926800000000, 0.0017010100000000 ] - [ -0.0021444700000000, 0.0019764900000000, -0.0002055300000000 ] - [ -0.0005345700000000, 0.0023728500000000, 0.0008617200000000 ] - [ -0.0016701400000000, 0.0019000900000000, 0.0000261900000000 ] - [ -0.0012429800000000, -0.0017325200000000, -0.0006562300000000 ] - [ -0.0018222800000000, -0.0018902000000000, 0.0006404800000000 ] - [ -0.0009595300000000, -0.0019142500000000, 0.0003290600000000 ] - [ -0.0013847800000000, -0.0020424500000000, 0.0003667400000000 ] - [ -0.0004079800000000, -0.0017047700000000, 0.0013996400000000 ] - [ 0.0044309400000000, -0.0030812000000000, 0.0068194800000000 ] - [ 0.0000361300000000, -0.0015547500000000, 0.0012568200000000 ] - [ 0.0009620700000000, -0.0013576400000000, 0.0010217000000000 ] - [ -0.0000675800000000, 0.0016291500000000, 0.0013957000000000 ] - [ 0.0014263900000000, 0.0010516900000000, 0.0000185000000000 ] - [ 0.0001149300000000, 0.0015449500000000, 0.0013002500000000 ] - [ 0.0006767800000000, 0.0013731700000000, 0.0010440600000000 ] - [ -0.0538730900000000, -0.0032964200000000, -0.0038792600000000 ] - [ 0.0036181500000000, 0.0020232600000000, 0.0004924200000000 ] - [ -0.0021743900000000, 0.0018424500000000, 0.0003466300000000 ] - [ 0.0000397700000000, 0.0019261000000000, 0.0007412900000000 ] - [ -0.0013383700000000, -0.0016736900000000, 0.0010500800000000 ] - [ -0.0002736900000000, -0.0019532100000000, 0.0007801800000000 ] - [ -0.0016323300000000, -0.0018527600000000, 0.0005800800000000 ] - [ -0.0000645300000000, -0.0018718600000000, 0.0007925100000000 ]- atom: 81 displacement: [ -0.0099999999133341, 0.0000000001139357, -0.0000013165557043 ] forces: - [ -0.0120560900000000, 0.0004740300000000, -0.0075808000000000 ] - [ -0.0138055400000000, -0.0103152900000000, 0.0004794100000000 ] - [ -0.0008181300000000, -0.0000554000000000, -0.0006756500000000 ] - [ -0.0003477300000000, 0.0005769600000000, -0.0016642500000000 ] - [ 0.0053951500000000, 0.0004069800000000, 0.0019560800000000 ] - [ -0.0014293600000000, -0.0002053400000000, 0.0002087100000000 ] - [ 0.0021545900000000, 0.0002605700000000, 0.0012936400000000 ] - [ -0.0005494200000000, -0.0001793200000000, 0.0004596700000000 ] - [ 0.0031823000000000, 0.0014834000000000, -0.0061263200000000 ] - [ -0.0014604100000000, -0.0000460800000000, 0.0014537900000000 ] - [ 0.0010513600000000, 0.0000789300000000, 0.0005419600000000 ] - [ -0.0001976900000000, 0.0000195900000000, 0.0010500500000000 ] - [ -0.0006381200000000, -0.0003768700000000, -0.0010274400000000 ] - [ -0.0001036300000000, -0.0001917000000000, -0.0013653200000000 ] - [ -0.0007328500000000, 0.0003634400000000, -0.0004026900000000 ] - [ 0.0001239100000000, -0.0008248500000000, -0.0019176900000000 ] - [ -0.0001551200000000, -0.0010012500000000, -0.0009762200000000 ] - [ -0.0003707600000000, -0.0003039000000000, 0.0001997700000000 ] - [ -0.0001884600000000, -0.0005964100000000, -0.0004701800000000 ] - [ -0.0002990400000000, -0.0006220200000000, -0.0002704200000000 ] - [ -0.0000260700000000, 0.0009161000000000, -0.0005565800000000 ] - [ -0.0002447400000000, 0.0003121900000000, -0.0003016100000000 ] - [ 0.0009234800000000, -0.0002869500000000, 0.0016784900000000 ] - [ 0.0011181400000000, 0.0026854100000000, -0.0024391900000000 ] - [ 0.0033967400000000, -0.0002881700000000, 0.0002473800000000 ] - [ -0.0124282900000000, 0.0078548700000000, 0.0044077200000000 ] - [ 0.0008615000000000, -0.0013142400000000, -0.0001551800000000 ] - [ 0.0003350900000000, -0.0013245600000000, 0.0000262600000000 ] - [ 0.0008498800000000, 0.0014138200000000, -0.0001189900000000 ] - [ 0.0003133800000000, 0.0013208100000000, 0.0000223500000000 ] - [ 0.0008695100000000, 0.0011394100000000, -0.0001439400000000 ] - [ 0.0002629200000000, 0.0015290200000000, 0.0000018600000000 ] - [ -0.0102342700000000, 0.0158832000000000, 0.0097461200000000 ] - [ 0.0048129800000000, 0.0059199600000000, 0.0002910600000000 ] - [ 0.0008202500000000, 0.0058222300000000, -0.0008915700000000 ] - [ 0.0013566000000000, 0.0055771000000000, -0.0007363900000000 ] - [ 0.0009971700000000, -0.0056709100000000, -0.0007830500000000 ] - [ 0.0010930800000000, -0.0056794600000000, -0.0008270900000000 ] - [ 0.0007525300000000, -0.0058205600000000, -0.0009327500000000 ] - [ 0.0013332700000000, -0.0054951500000000, -0.0007281700000000 ] - [ -0.0055136400000000, -0.0100682900000000, -0.0017097500000000 ] - [ 0.0010937700000000, 0.0003595300000000, -0.0002723400000000 ] - [ -0.0000115300000000, 0.0001091700000000, -0.0001995200000000 ] - [ 0.0003064800000000, 0.0002941900000000, -0.0001215800000000 ] - [ -0.0004330500000000, -0.0001602900000000, 0.0002455500000000 ] - [ 0.0004021300000000, -0.0002017400000000, 0.0000979600000000 ] - [ -0.0000301500000000, -0.0001916700000000, -0.0002516700000000 ] - [ 0.0002956700000000, -0.0001521500000000, 0.0000045000000000 ] - [ 0.0004597800000000, -0.0056569500000000, 0.0006409600000000 ] - [ -0.0003547200000000, -0.0058690500000000, 0.0008261300000000 ] - [ 0.0034883000000000, -0.0057041100000000, 0.0005718900000000 ] - [ -0.0068631900000000, -0.0158121000000000, -0.0029750300000000 ] - [ 0.0005202000000000, 0.0055701700000000, 0.0006277800000000 ] - [ -0.0003516000000000, 0.0058117000000000, 0.0008940600000000 ] - [ 0.0003021400000000, 0.0057136000000000, 0.0007229900000000 ] - [ -0.0001390000000000, 0.0057238100000000, 0.0008561800000000 ] - [ -0.0006125300000000, -0.0003192100000000, -0.0011701800000000 ] - [ 0.0002026200000000, -0.0003076200000000, -0.0010309000000000 ] - [ -0.0003676700000000, -0.0000832800000000, -0.0014494900000000 ] - [ 0.0000761600000000, -0.0001871600000000, -0.0011015700000000 ] - [ -0.0014533900000000, -0.0003250200000000, -0.0019727300000000 ] - [ 0.0005284100000000, 0.0003516800000000, -0.0010710600000000 ] - [ -0.0002546700000000, 0.0000834200000000, -0.0012937600000000 ] - [ 0.0000297200000000, 0.0001915200000000, -0.0012357400000000 ] - [ -0.0022885200000000, 0.0025234600000000, -0.0009916600000000 ] - [ -0.0001313600000000, 0.0019427900000000, 0.0009080000000000 ] - [ -0.0017434100000000, 0.0015491200000000, -0.0001607900000000 ] - [ -0.0006099400000000, 0.0020203600000000, 0.0006727900000000 ] - [ -0.0010297400000000, -0.0021858400000000, 0.0013586100000000 ] - [ -0.0004577000000000, -0.0020304000000000, 0.0000546500000000 ] - [ -0.0013208400000000, -0.0020055300000000, 0.0003688500000000 ] - [ -0.0008962600000000, -0.0018770600000000, 0.0003306400000000 ] - [ 0.0011992800000000, -0.0012153000000000, 0.0009652600000000 ] - [ -0.0035533500000000, 0.0001559700000000, -0.0044252200000000 ] - [ 0.0007558100000000, -0.0013642100000000, 0.0011065400000000 ] - [ -0.0001695900000000, -0.0015607800000000, 0.0013416800000000 ] - [ 0.0008617500000000, 0.0012882200000000, 0.0009647300000000 ] - [ -0.0006385100000000, 0.0018737000000000, 0.0023491000000000 ] - [ 0.0006772600000000, 0.0013739000000000, 0.0010617000000000 ] - [ 0.0001157900000000, 0.0015448000000000, 0.0013181200000000 ] - [ 0.0523991400000000, 0.0074401200000000, 0.0053497100000000 ] - [ -0.0053650000000000, 0.0016074900000000, 0.0008775000000000 ] - [ 0.0004273700000000, 0.0017889400000000, 0.0010260200000000 ] - [ -0.0017885800000000, 0.0017060000000000, 0.0006305400000000 ] - [ -0.0004087500000000, -0.0019636700000000, 0.0003237200000000 ] - [ -0.0014749900000000, -0.0016794100000000, 0.0005926900000000 ] - [ -0.0001148100000000, -0.0017796500000000, 0.0007908500000000 ] - [ -0.0016833700000000, -0.0017627900000000, 0.0005804600000000 ]- atom: 81 displacement: [ -0.0000000001462832, 0.0100000000000000, 0.0000000001023983 ] forces: - [ -0.0062575400000000, -0.0016176300000000, -0.0057535800000000 ] - [ 0.0096569100000000, -0.0107954500000000, -0.0078985400000000 ] - [ 0.0004686700000000, 0.0016630300000000, -0.0018189200000000 ] - [ -0.0011770400000000, 0.0018486300000000, -0.0007726100000000 ] - [ 0.0045411900000000, 0.0027154900000000, -0.0028983900000000 ] - [ -0.0002473000000000, -0.0004901100000000, 0.0007082000000000 ] - [ 0.0004569300000000, 0.0009783100000000, 0.0014943800000000 ] - [ 0.0011621000000000, 0.0001144000000000, 0.0012662700000000 ] - [ -0.0016399600000000, -0.0118388500000000, 0.0126240300000000 ] - [ 0.0001727300000000, -0.0006419100000000, 0.0005991300000000 ] - [ 0.0006639700000000, 0.0017837800000000, 0.0000606100000000 ] - [ 0.0005835900000000, 0.0007398500000000, 0.0007817700000000 ] - [ 0.0001718900000000, -0.0000288600000000, -0.0009976300000000 ] - [ -0.0008944700000000, 0.0003785900000000, -0.0011642900000000 ] - [ -0.0006217800000000, -0.0002900600000000, -0.0010338500000000 ] - [ -0.0002725500000000, -0.0002821600000000, -0.0009785600000000 ] - [ -0.0002220500000000, -0.0006111500000000, -0.0005434000000000 ] - [ -0.0002562200000000, -0.0005455200000000, -0.0005484100000000 ] - [ -0.0003428600000000, -0.0007957000000000, -0.0004629500000000 ] - [ -0.0001210700000000, -0.0008366600000000, -0.0004915000000000 ] - [ -0.0007191800000000, -0.0001062900000000, -0.0000231500000000 ] - [ -0.0000817700000000, 0.0002707900000000, -0.0003392900000000 ] - [ 0.0004996200000000, 0.0004870300000000, 0.0006426000000000 ] - [ -0.0015061300000000, 0.0015766700000000, 0.0010180200000000 ] - [ 0.0012621900000000, 0.0001823100000000, 0.0005162500000000 ] - [ -0.0028297900000000, 0.0066734800000000, 0.0022652800000000 ] - [ 0.0003407600000000, -0.0019486000000000, -0.0000449700000000 ] - [ 0.0005571100000000, -0.0022904700000000, -0.0002851600000000 ] - [ 0.0003383900000000, 0.0013149700000000, -0.0000415000000000 ] - [ 0.0009546200000000, 0.0009748700000000, -0.0000932600000000 ] - [ 0.0006505900000000, 0.0013256700000000, -0.0000939500000000 ] - [ 0.0004797500000000, 0.0013572500000000, -0.0001244600000000 ] - [ -0.0068096500000000, 0.0126834700000000, 0.0067844400000000 ] - [ -0.0005270900000000, 0.0071293800000000, -0.0004034400000000 ] - [ 0.0011213700000000, 0.0051461400000000, -0.0008493200000000 ] - [ 0.0013381500000000, 0.0053976300000000, -0.0007970500000000 ] - [ 0.0006443800000000, -0.0058278300000000, -0.0008962700000000 ] - [ 0.0012550900000000, -0.0057006200000000, -0.0007594300000000 ] - [ 0.0012325200000000, -0.0055904500000000, -0.0008632800000000 ] - [ 0.0009492700000000, -0.0056920100000000, -0.0008753100000000 ] - [ 0.0106876400000000, 0.0229497600000000, 0.0027390000000000 ] - [ 0.0003473100000000, 0.0004524400000000, -0.0000138600000000 ] - [ -0.0000768000000000, -0.0007653600000000, 0.0003074700000000 ] - [ 0.0000861300000000, -0.0001242600000000, -0.0000815700000000 ] - [ -0.0003593900000000, -0.0002342200000000, 0.0010914100000000 ] - [ 0.0001946900000000, -0.0000345100000000, -0.0001119200000000 ] - [ 0.0002160800000000, -0.0005206800000000, -0.0003187100000000 ] - [ 0.0000941900000000, -0.0002855700000000, -0.0002752300000000 ] - [ -0.0002077300000000, -0.0059729800000000, 0.0008659900000000 ] - [ 0.0004368100000000, -0.0066369900000000, 0.0003145600000000 ] - [ 0.0016159600000000, -0.0054158600000000, 0.0009652200000000 ] - [ 0.0045548000000000, 0.0121910600000000, 0.0089466700000000 ] - [ 0.0001479400000000, 0.0057806200000000, 0.0006992600000000 ] - [ 0.0000059900000000, 0.0058015800000000, 0.0007013300000000 ] - [ -0.0000580500000000, 0.0056254100000000, 0.0008153800000000 ] - [ 0.0003100800000000, 0.0054343800000000, 0.0008199600000000 ] - [ -0.0001504000000000, -0.0008681800000000, -0.0005130300000000 ] - [ -0.0000664200000000, -0.0000712300000000, -0.0012441200000000 ] - [ -0.0000973900000000, -0.0005639500000000, -0.0018699700000000 ] - [ -0.0001965700000000, -0.0001658900000000, -0.0013807300000000 ] - [ 0.0011367800000000, 0.0082722800000000, -0.0055622600000000 ] - [ -0.0000368100000000, 0.0006066800000000, -0.0009846800000000 ] - [ -0.0003924600000000, -0.0008428800000000, -0.0011600000000000 ] - [ -0.0001970200000000, -0.0002153400000000, -0.0012697100000000 ] - [ -0.0024856200000000, 0.0018624800000000, 0.0008943400000000 ] - [ -0.0007292900000000, 0.0020903900000000, 0.0005282800000000 ] - [ -0.0011185600000000, 0.0016132400000000, 0.0001603900000000 ] - [ -0.0015785200000000, 0.0018831600000000, 0.0000732700000000 ] - [ -0.0014838300000000, -0.0003552300000000, -0.0012042000000000 ] - [ -0.0009537600000000, -0.0018177100000000, 0.0003764900000000 ] - [ -0.0010656900000000, -0.0022489300000000, 0.0005031900000000 ] - [ -0.0011614400000000, -0.0020980900000000, 0.0003656600000000 ] - [ 0.0006198400000000, -0.0010620500000000, 0.0008132900000000 ] - [ -0.0038383800000000, 0.0007029400000000, -0.0062637400000000 ] - [ 0.0001903000000000, -0.0016836500000000, 0.0013281600000000 ] - [ 0.0003509500000000, -0.0019975500000000, 0.0013545300000000 ] - [ 0.0003389400000000, 0.0016247800000000, 0.0013308400000000 ] - [ 0.0010091300000000, 0.0019693700000000, -0.0003748700000000 ] - [ 0.0004349000000000, 0.0013529600000000, 0.0011356600000000 ] - [ 0.0004822300000000, 0.0012298400000000, 0.0012350100000000 ] - [ -0.0063005400000000, -0.0470031200000000, -0.0074462200000000 ] - [ -0.0006656000000000, 0.0003156100000000, 0.0003199800000000 ] - [ -0.0008455000000000, 0.0041588600000000, 0.0007128500000000 ] - [ -0.0007630700000000, 0.0025295200000000, 0.0006641100000000 ] - [ -0.0010180400000000, -0.0010563500000000, 0.0005789300000000 ] - [ -0.0007356900000000, -0.0018808200000000, 0.0006583900000000 ] - [ -0.0008352600000000, -0.0016088600000000, 0.0010881200000000 ] - [ -0.0008181300000000, -0.0017285000000000, 0.0007785400000000 ]- atom: 81 displacement: [ 0.0000000001462832, -0.0100000000000000, -0.0000000001023983 ] forces: - [ 0.0055109900000000, 0.0021908600000000, 0.0034027300000000 ] - [ -0.0104087800000000, 0.0114258300000000, 0.0055770000000000 ] - [ -0.0011973500000000, -0.0010846500000000, -0.0005193300000000 ] - [ 0.0004374200000000, -0.0012707100000000, -0.0015636500000000 ] - [ -0.0035357600000000, -0.0029944600000000, 0.0045878700000000 ] - [ 0.0012771100000000, 0.0002224200000000, 0.0009855700000000 ] - [ 0.0005758900000000, -0.0012460700000000, 0.0001954700000000 ] - [ -0.0001354000000000, -0.0003809500000000, 0.0004252000000000 ] - [ 0.0026604900000000, 0.0120568400000000, -0.0109145600000000 ] - [ 0.0008591100000000, 0.0009088800000000, 0.0010907200000000 ] - [ 0.0003654800000000, -0.0015169800000000, 0.0016395500000000 ] - [ 0.0004450800000000, -0.0004726400000000, 0.0009103600000000 ] - [ -0.0009044800000000, -0.0005504000000000, -0.0013412600000000 ] - [ 0.0001620800000000, -0.0009598400000000, -0.0011747700000000 ] - [ -0.0001122100000000, -0.0002874700000000, -0.0013045000000000 ] - [ -0.0004592100000000, -0.0002948800000000, -0.0013613700000000 ] - [ -0.0002737600000000, -0.0006253400000000, -0.0002287000000000 ] - [ -0.0002391100000000, -0.0006904300000000, -0.0002216800000000 ] - [ -0.0001528100000000, -0.0004397800000000, -0.0003082900000000 ] - [ -0.0003745400000000, -0.0003983100000000, -0.0002795100000000 ] - [ 0.0002231100000000, 0.0013418700000000, -0.0007486900000000 ] - [ -0.0004121300000000, 0.0009657700000000, -0.0004335800000000 ] - [ -0.0009955100000000, 0.0007468900000000, -0.0014108600000000 ] - [ 0.0010154100000000, -0.0003453100000000, -0.0017929600000000 ] - [ -0.0001144700000000, -0.0029309400000000, -0.0006633000000000 ] - [ 0.0039282400000000, -0.0094662700000000, -0.0024025100000000 ] - [ 0.0008056500000000, -0.0008036100000000, -0.0001029400000000 ] - [ 0.0005921800000000, -0.0004617200000000, 0.0001363000000000 ] - [ 0.0008089900000000, 0.0014371500000000, -0.0001065000000000 ] - [ 0.0001927900000000, 0.0017786000000000, -0.0000553800000000 ] - [ 0.0004972900000000, 0.0014257100000000, -0.0000541000000000 ] - [ 0.0006683900000000, 0.0013937800000000, -0.0000234500000000 ] - [ 0.0091816800000000, -0.0013980100000000, -0.0085289200000000 ] - [ 0.0026326900000000, 0.0041809900000000, -0.0012537400000000 ] - [ 0.0009750500000000, 0.0061688800000000, -0.0008063600000000 ] - [ 0.0007637500000000, 0.0059174100000000, -0.0008574900000000 ] - [ 0.0014550600000000, -0.0054872600000000, -0.0007592500000000 ] - [ 0.0008442500000000, -0.0056145300000000, -0.0008956900000000 ] - [ 0.0008667700000000, -0.0057255400000000, -0.0007910900000000 ] - [ 0.0011502100000000, -0.0056235300000000, -0.0007796500000000 ] - [ -0.0099365000000000, -0.0219151800000000, -0.0025365400000000 ] - [ -0.0000652600000000, -0.0001428400000000, -0.0002462900000000 ] - [ 0.0003611600000000, 0.0010798900000000, -0.0005723100000000 ] - [ 0.0001978100000000, 0.0004341500000000, -0.0001793600000000 ] - [ 0.0006452100000000, -0.0000761400000000, -0.0013573000000000 ] - [ 0.0000888300000000, -0.0002763300000000, -0.0001510300000000 ] - [ 0.0000671400000000, 0.0002102600000000, 0.0000569800000000 ] - [ 0.0001897300000000, -0.0000250000000000, 0.0000133200000000 ] - [ 0.0003760000000000, -0.0054566600000000, 0.0006813100000000 ] - [ -0.0002647300000000, -0.0047971300000000, 0.0012301600000000 ] - [ -0.0014406200000000, -0.0060133000000000, 0.0005823800000000 ] - [ -0.0048937800000000, -0.0242090100000000, -0.0076441300000000 ] - [ 0.0000221000000000, 0.0056491000000000, 0.0008470300000000 ] - [ 0.0001633400000000, 0.0056269300000000, 0.0008457200000000 ] - [ 0.0002276100000000, 0.0058046800000000, 0.0007307900000000 ] - [ -0.0001402400000000, 0.0059963600000000, 0.0007259000000000 ] - [ -0.0001107100000000, 0.0006573900000000, -0.0019811200000000 ] - [ -0.0001969200000000, -0.0001449000000000, -0.0012487900000000 ] - [ -0.0001659200000000, 0.0003478100000000, -0.0006187400000000 ] - [ -0.0000661900000000, -0.0000512900000000, -0.0011118400000000 ] - [ -0.0013934900000000, -0.0080113500000000, 0.0031194200000000 ] - [ -0.0002259600000000, -0.0003886800000000, -0.0015067900000000 ] - [ 0.0001299300000000, 0.0010614400000000, -0.0013339000000000 ] - [ -0.0000654300000000, 0.0004334500000000, -0.0012226000000000 ] - [ 0.0001918400000000, 0.0020594600000000, -0.0001877300000000 ] - [ -0.0015666500000000, 0.0018287000000000, 0.0001718500000000 ] - [ -0.0011786600000000, 0.0023052600000000, 0.0005401200000000 ] - [ -0.0007148700000000, 0.0020359700000000, 0.0006283400000000 ] - [ -0.0008119400000000, -0.0035595700000000, 0.0018995300000000 ] - [ -0.0013437400000000, -0.0021013400000000, 0.0003237900000000 ] - [ -0.0012323900000000, -0.0016703800000000, 0.0001946500000000 ] - [ -0.0011345900000000, -0.0018211600000000, 0.0003338400000000 ] - [ 0.0001800800000000, -0.0018526200000000, 0.0015441100000000 ] - [ 0.0046245200000000, -0.0036377000000000, 0.0084720400000000 ] - [ 0.0006097600000000, -0.0012314700000000, 0.0010301600000000 ] - [ 0.0004476900000000, -0.0009170600000000, 0.0010053200000000 ] - [ 0.0004609500000000, 0.0012903900000000, 0.0010273400000000 ] - [ -0.0002082400000000, 0.0009464800000000, 0.0027267400000000 ] - [ 0.0003653700000000, 0.0015611800000000, 0.0012212800000000 ] - [ 0.0003184500000000, 0.0016831100000000, 0.0011198400000000 ] - [ 0.0044485500000000, 0.0505645800000000, 0.0087440200000000 ] - [ -0.0010820700000000, 0.0033172200000000, 0.0010538800000000 ] - [ -0.0008993000000000, -0.0005269300000000, 0.0006598700000000 ] - [ -0.0009831800000000, 0.0011039500000000, 0.0007092900000000 ] - [ -0.0007275100000000, -0.0025796900000000, 0.0007979500000000 ] - [ -0.0010095900000000, -0.0017547700000000, 0.0007154500000000 ] - [ -0.0009095400000000, -0.0020236000000000, 0.0002838400000000 ] - [ -0.0009277000000000, -0.0019059300000000, 0.0005955300000000 ]- atom: 81 displacement: [ -0.0004071772244389, 0.0000000000853433, 0.0099917068966167 ] forces: - [ -0.0032875800000000, -0.0007594900000000, -0.0067038900000000 ] - [ -0.0010500000000000, -0.0058714500000000, -0.0064901400000000 ] - [ -0.0001290800000000, 0.0007151700000000, -0.0021914700000000 ] - [ -0.0001368100000000, 0.0005335500000000, -0.0018667400000000 ] - [ -0.0094074600000000, -0.0065501100000000, 0.0083537700000000 ] - [ 0.0009122700000000, -0.0001929100000000, 0.0014066800000000 ] - [ 0.0003669600000000, 0.0008445100000000, 0.0009529800000000 ] - [ 0.0006684700000000, -0.0000644100000000, 0.0009682200000000 ] - [ 0.0055134900000000, 0.0122953800000000, 0.0119250900000000 ] - [ 0.0000484100000000, 0.0000907700000000, 0.0007577100000000 ] - [ 0.0008929200000000, -0.0001214800000000, 0.0006568700000000 ] - [ 0.0004576300000000, 0.0001427300000000, 0.0007871500000000 ] - [ -0.0004307600000000, -0.0002547700000000, -0.0003463400000000 ] - [ -0.0001360900000000, -0.0009576400000000, -0.0004721100000000 ] - [ 0.0002473800000000, 0.0000055900000000, 0.0002722300000000 ] - [ -0.0011182500000000, -0.0001804700000000, 0.0004547100000000 ] - [ -0.0002041900000000, -0.0009527100000000, -0.0010729900000000 ] - [ -0.0001532000000000, -0.0010408900000000, -0.0012583600000000 ] - [ -0.0001114200000000, -0.0006083000000000, -0.0006978300000000 ] - [ -0.0003438800000000, -0.0005107900000000, -0.0005574900000000 ] - [ -0.0005219100000000, 0.0002064800000000, 0.0000191900000000 ] - [ -0.0002498100000000, 0.0003653600000000, -0.0000748100000000 ] - [ -0.0006007000000000, 0.0004787500000000, 0.0012981700000000 ] - [ 0.0001295200000000, 0.0013652400000000, 0.0004838400000000 ] - [ 0.0008571600000000, -0.0007996300000000, 0.0005636600000000 ] - [ -0.0036262300000000, 0.0028554800000000, 0.0027719500000000 ] - [ 0.0004857100000000, -0.0014840600000000, 0.0000543200000000 ] - [ 0.0005412600000000, -0.0013608400000000, 0.0000442900000000 ] - [ 0.0006501000000000, 0.0013533500000000, -0.0002821000000000 ] - [ 0.0005265700000000, 0.0018210000000000, -0.0005197200000000 ] - [ 0.0004832800000000, 0.0014205200000000, -0.0002629000000000 ] - [ 0.0006450600000000, 0.0014433900000000, -0.0003668900000000 ] - [ -0.0041670100000000, 0.0112893000000000, 0.0056104900000000 ] - [ 0.0013616600000000, 0.0062572200000000, -0.0001180700000000 ] - [ 0.0011292500000000, 0.0055607900000000, -0.0005294500000000 ] - [ 0.0010889000000000, 0.0056474300000000, -0.0006922300000000 ] - [ 0.0009901100000000, -0.0056273800000000, -0.0013192700000000 ] - [ 0.0008429500000000, -0.0056026600000000, -0.0010280400000000 ] - [ 0.0006915500000000, -0.0056050300000000, -0.0014379300000000 ] - [ 0.0010133200000000, -0.0056517100000000, -0.0011009500000000 ] - [ 0.0049233900000000, 0.0088487600000000, 0.0053936100000000 ] - [ 0.0003779600000000, 0.0001962800000000, -0.0000092200000000 ] - [ 0.0002023300000000, 0.0002989000000000, 0.0002076300000000 ] - [ 0.0001567000000000, 0.0001725800000000, -0.0000333600000000 ] - [ 0.0008262100000000, 0.0002344900000000, -0.0032579100000000 ] - [ 0.0000775800000000, -0.0001361900000000, -0.0003505900000000 ] - [ 0.0001853400000000, -0.0003710300000000, -0.0005665100000000 ] - [ 0.0001088000000000, -0.0001543600000000, -0.0002430300000000 ] - [ -0.0000267700000000, -0.0056596800000000, 0.0009647100000000 ] - [ -0.0000150700000000, -0.0057192100000000, 0.0010002900000000 ] - [ 0.0011392800000000, -0.0055701300000000, 0.0011392900000000 ] - [ 0.0008057700000000, 0.0002490700000000, 0.0047660300000000 ] - [ 0.0000512000000000, 0.0057883500000000, 0.0005668800000000 ] - [ 0.0005331600000000, 0.0060856900000000, 0.0002333700000000 ] - [ 0.0001162900000000, 0.0057559700000000, 0.0006230400000000 ] - [ 0.0003117000000000, 0.0057483000000000, 0.0003343100000000 ] - [ 0.0002486700000000, 0.0020640300000000, -0.0032009000000000 ] - [ -0.0002100000000000, -0.0000254900000000, -0.0013982200000000 ] - [ -0.0000419300000000, -0.0006333800000000, -0.0018080500000000 ] - [ -0.0001759500000000, -0.0001454100000000, -0.0013444700000000 ] - [ -0.0001169100000000, -0.0104809600000000, 0.0142474600000000 ] - [ -0.0000168100000000, 0.0001759200000000, -0.0010978500000000 ] - [ -0.0001754200000000, 0.0000299900000000, -0.0010794100000000 ] - [ -0.0001224700000000, 0.0000846100000000, -0.0012053500000000 ] - [ 0.0014217100000000, 0.0030397000000000, 0.0003197400000000 ] - [ -0.0014307100000000, 0.0019740500000000, 0.0001680400000000 ] - [ -0.0010845000000000, 0.0017370600000000, 0.0003280900000000 ] - [ -0.0012500900000000, 0.0019552400000000, 0.0003185500000000 ] - [ -0.0032113700000000, -0.0031896600000000, -0.0015444100000000 ] - [ -0.0009363400000000, -0.0019717600000000, 0.0003447900000000 ] - [ -0.0012856700000000, -0.0019007800000000, 0.0002863100000000 ] - [ -0.0011141100000000, -0.0019400200000000, 0.0003406600000000 ] - [ 0.0003204600000000, -0.0015148200000000, 0.0012806400000000 ] - [ 0.0108874100000000, -0.0069892100000000, 0.0176831600000000 ] - [ 0.0003617100000000, -0.0015087000000000, 0.0012494000000000 ] - [ 0.0003482300000000, -0.0016807600000000, 0.0014387800000000 ] - [ 0.0004767600000000, 0.0013647900000000, 0.0010018000000000 ] - [ 0.0013830500000000, -0.0010098600000000, -0.0019511100000000 ] - [ 0.0004064900000000, 0.0014481500000000, 0.0011369400000000 ] - [ 0.0003134700000000, 0.0016470600000000, 0.0010109900000000 ] - [ -0.0033380900000000, -0.0062437000000000, -0.0546842900000000 ] - [ -0.0012464700000000, 0.0014394500000000, -0.0000265800000000 ] - [ -0.0011592700000000, 0.0018428100000000, -0.0001486600000000 ] - [ -0.0008544200000000, 0.0017900400000000, 0.0004233700000000 ] - [ -0.0004915400000000, -0.0017115800000000, 0.0045611600000000 ] - [ -0.0008027600000000, -0.0017835200000000, 0.0011756800000000 ] - [ -0.0009473200000000, -0.0022193000000000, 0.0024372100000000 ] - [ -0.0007992100000000, -0.0019071200000000, 0.0009764100000000 ]- atom: 81 displacement: [ 0.0004071772244389, -0.0000000000853433, -0.0099917068966167 ] forces: - [ 0.0025363500000000, 0.0013444400000000, 0.0043333200000000 ] - [ 0.0003567600000000, 0.0064731200000000, 0.0041181500000000 ] - [ -0.0006023900000000, -0.0001361900000000, -0.0001467200000000 ] - [ -0.0005948200000000, 0.0000469500000000, -0.0004736200000000 ] - [ 0.0104640600000000, 0.0063153300000000, -0.0067025900000000 ] - [ 0.0001128300000000, -0.0000762700000000, 0.0002867200000000 ] - [ 0.0006635800000000, -0.0011170800000000, 0.0007476000000000 ] - [ 0.0003606700000000, -0.0002032700000000, 0.0007272000000000 ] - [ -0.0044161600000000, -0.0119068400000000, -0.0101592600000000 ] - [ 0.0009821800000000, 0.0001748500000000, 0.0009268400000000 ] - [ 0.0001374500000000, 0.0003857800000000, 0.0010290700000000 ] - [ 0.0005712300000000, 0.0001247100000000, 0.0009011700000000 ] - [ -0.0002980600000000, -0.0003243000000000, -0.0019944700000000 ] - [ -0.0006001500000000, 0.0003804300000000, -0.0018690200000000 ] - [ -0.0009744600000000, -0.0005864800000000, -0.0026108700000000 ] - [ 0.0003812800000000, -0.0004021600000000, -0.0027958400000000 ] - [ -0.0002926400000000, -0.0002772900000000, 0.0003092700000000 ] - [ -0.0003410700000000, -0.0001878900000000, 0.0004965500000000 ] - [ -0.0003848500000000, -0.0006219000000000, -0.0000650700000000 ] - [ -0.0001510200000000, -0.0007197500000000, -0.0002060200000000 ] - [ 0.0000272200000000, 0.0010246500000000, -0.0007827400000000 ] - [ -0.0002452500000000, 0.0008644200000000, -0.0006875000000000 ] - [ 0.0001001800000000, 0.0007500400000000, -0.0020518900000000 ] - [ -0.0006231500000000, -0.0001399100000000, -0.0012359300000000 ] - [ 0.0002964800000000, -0.0019426800000000, -0.0007083800000000 ] - [ 0.0047139800000000, -0.0055952300000000, -0.0029485900000000 ] - [ 0.0006642000000000, -0.0012612500000000, -0.0002020400000000 ] - [ 0.0006091400000000, -0.0013856300000000, -0.0001922200000000 ] - [ 0.0004981800000000, 0.0013915200000000, 0.0001345700000000 ] - [ 0.0006260400000000, 0.0009224500000000, 0.0003723400000000 ] - [ 0.0006654700000000, 0.0013258000000000, 0.0001151800000000 ] - [ 0.0005063600000000, 0.0013032000000000, 0.0002190000000000 ] - [ 0.0063424400000000, -0.0000188600000000, -0.0071953300000000 ] - [ 0.0007231100000000, 0.0050616500000000, -0.0015420600000000 ] - [ 0.0009647100000000, 0.0057576300000000, -0.0011291900000000 ] - [ 0.0010057400000000, 0.0056709300000000, -0.0009660900000000 ] - [ 0.0011022400000000, -0.0056927000000000, -0.0003395900000000 ] - [ 0.0012535900000000, -0.0057161300000000, -0.0006296500000000 ] - [ 0.0014001100000000, -0.0057124000000000, -0.0002227100000000 ] - [ 0.0010834000000000, -0.0056662300000000, -0.0005566100000000 ] - [ -0.0045449800000000, -0.0083792800000000, -0.0056240800000000 ] - [ -0.0000954100000000, 0.0001119600000000, -0.0002531800000000 ] - [ 0.0000812500000000, 0.0000098300000000, -0.0004699300000000 ] - [ 0.0001273000000000, 0.0001348000000000, -0.0002301900000000 ] - [ -0.0005421100000000, -0.0005465500000000, 0.0029954100000000 ] - [ 0.0002064600000000, -0.0001723600000000, 0.0000837800000000 ] - [ 0.0000979700000000, 0.0000642900000000, 0.0002993900000000 ] - [ 0.0001749000000000, -0.0001539900000000, -0.0000240000000000 ] - [ 0.0001986200000000, -0.0057686500000000, 0.0005778900000000 ] - [ 0.0001876400000000, -0.0057091300000000, 0.0005426600000000 ] - [ -0.0009614300000000, -0.0058583600000000, 0.0004053700000000 ] - [ -0.0006358900000000, -0.0116657500000000, -0.0031645900000000 ] - [ 0.0001199900000000, 0.0056402400000000, 0.0009751600000000 ] - [ -0.0003576300000000, 0.0053448100000000, 0.0013065800000000 ] - [ 0.0000549000000000, 0.0056716600000000, 0.0009196200000000 ] - [ -0.0001376800000000, 0.0056782200000000, 0.0012075100000000 ] - [ -0.0005149600000000, -0.0022839300000000, 0.0007119300000000 ] - [ -0.0000552500000000, -0.0001884400000000, -0.0010973900000000 ] - [ -0.0002246400000000, 0.0004241500000000, -0.0006878400000000 ] - [ -0.0000896900000000, -0.0000685500000000, -0.0011521500000000 ] - [ -0.0000532200000000, 0.0103202600000000, -0.0157935100000000 ] - [ -0.0002485100000000, 0.0000405100000000, -0.0013943300000000 ] - [ -0.0000893300000000, 0.0001861600000000, -0.0014137700000000 ] - [ -0.0001423600000000, 0.0001312600000000, -0.0012883900000000 ] - [ -0.0037248200000000, 0.0008727800000000, 0.0003814700000000 ] - [ -0.0008552700000000, 0.0019448700000000, 0.0005344600000000 ] - [ -0.0012056400000000, 0.0021812200000000, 0.0003710600000000 ] - [ -0.0010390100000000, 0.0019633200000000, 0.0003821100000000 ] - [ 0.0009170900000000, -0.0007392400000000, 0.0022457200000000 ] - [ -0.0013522300000000, -0.0019467000000000, 0.0003583700000000 ] - [ -0.0010039100000000, -0.0020174700000000, 0.0004156700000000 ] - [ -0.0011747400000000, -0.0019787500000000, 0.0003608300000000 ] - [ 0.0004764400000000, -0.0013999800000000, 0.0010763100000000 ] - [ -0.0103434300000000, 0.0045864300000000, -0.0162532600000000 ] - [ 0.0004342600000000, -0.0014084500000000, 0.0011107500000000 ] - [ 0.0004490200000000, -0.0012352000000000, 0.0009196200000000 ] - [ 0.0003186800000000, 0.0015534300000000, 0.0013604900000000 ] - [ -0.0005893100000000, 0.0039147600000000, 0.0043048400000000 ] - [ 0.0003894400000000, 0.0014690800000000, 0.0012237600000000 ] - [ 0.0004816800000000, 0.0012721900000000, 0.0013500100000000 ] - [ 0.0015665600000000, 0.0094701300000000, 0.0559145500000000 ] - [ -0.0004986200000000, 0.0021893500000000, 0.0013994000000000 ] - [ -0.0005885800000000, 0.0017904700000000, 0.0015219200000000 ] - [ -0.0008924400000000, 0.0018436100000000, 0.0009489900000000 ] - [ -0.0012560300000000, -0.0019184800000000, -0.0031897000000000 ] - [ -0.0009430700000000, -0.0018515100000000, 0.0001960300000000 ] - [ -0.0007998300000000, -0.0014183200000000, -0.0010655100000000 ] - [ -0.0009471100000000, -0.0017281800000000, 0.0003972000000000 ]